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/h-9d3cc6c4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-9d3cc6c4/inputs/seq.fa: 1 curr_seq: _GGGGGGGGGGGGGGGGGGGGGGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGGGGGGGGGGGGGGGGGGGGG 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 26 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: 135 n_atoms_counter: 135 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/h-9d3cc6c4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-9d3cc6c4/inputs/seq.fa: 1 curr_seq: _GGGGGGGGGGGGGGGGGGGGGGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGGGGGGGGGGGGGGGGGGGGG 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 26 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: 135 n_atoms_counter: 135 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/h-9d3cc6c4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-9d3cc6c4/inputs/seq.fa: 1 curr_seq: _GGGGGGGGGGGGGGGGGGGGGGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGGGGGGGGGGGGGGGGGGGGG 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 26 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: 135 n_atoms_counter: 135 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/h-9d3cc6c4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-9d3cc6c4/inputs/seq.fa: 1 curr_seq: _GGGGGGGGGGGGGGGGGGGGGGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGGGGGGGGGGGGGGGGGGGGG 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 26 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: 135 n_atoms_counter: 135 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/h-9d3cc6c4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-9d3cc6c4/inputs/seq.fa: 1 curr_seq: _GGGGGGGGGGGGGGGGGGGGGGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGGGGGGGGGGGGGGGGGGGGG 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 26 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: 135 n_atoms_counter: 135 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/h-9d3cc6c4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-9d3cc6c4/inputs/seq.fa: 1 curr_seq: _GGGGGGGGGGGGGGGGGGGGGGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGGGGGGGGGGGGGGGGGGGGG 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 26 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: 135 n_atoms_counter: 135 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/h-9d3cc6c4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-9d3cc6c4/inputs/seq.fa: 1 curr_seq: _GGGGGGGGGGGGGGGGGGGGGGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGGGGGGGGGGGGGGGGGGGGG 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 26 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: 135 n_atoms_counter: 135 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/h-9d3cc6c4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-9d3cc6c4/inputs/seq.fa: 1 curr_seq: _GGGGGGGGGGGGGGGGGGGGGGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGGGGGGGGGGGGGGGGGGGGG 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 26 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: 135 n_atoms_counter: 135 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/h-9d3cc6c4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-9d3cc6c4/inputs/seq.fa: 1 curr_seq: _GGGGGGGGGGGGGGGGGGGGGGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGGGGGGGGGGGGGGGGGGGGG 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 26 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: 135 n_atoms_counter: 135 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/h-9d3cc6c4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-9d3cc6c4/inputs/seq.fa: 1 curr_seq: _GGGGGGGGGGGGGGGGGGGGGGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGGGGGGGGGGGGGGGGGGGGG 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 26 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: 135 n_atoms_counter: 135 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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: -97.533461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.533461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.533461 (E_RNA) where: Base-Base interactions energy: -0.889 where: short stacking energy: -0.889 Base-Backbone interact. energy: -0.000 local terms energy: -96.644301 where: bonds (distance) C4'-P energy: -25.261 bonds (distance) P-C4' energy: -24.156 flat angles C4'-P-C4' energy: -19.090 flat angles P-C4'-P energy: -21.837 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: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -97.533461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.533461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.533461 (E_RNA) where: Base-Base interactions energy: -0.889 where: short stacking energy: -0.889 Base-Backbone interact. energy: -0.000 local terms energy: -96.644301 where: bonds (distance) C4'-P energy: -25.261 bonds (distance) P-C4' energy: -24.156 flat angles C4'-P-C4' energy: -19.090 flat angles P-C4'-P energy: -21.837 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: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -97.533461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.533461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.533461 (E_RNA) where: Base-Base interactions energy: -0.889 where: short stacking energy: -0.889 Base-Backbone interact. energy: -0.000 local terms energy: -96.644301 where: bonds (distance) C4'-P energy: -25.261 bonds (distance) P-C4' energy: -24.156 flat angles C4'-P-C4' energy: -19.090 flat angles P-C4'-P energy: -21.837 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: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -97.533461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.533461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.533461 (E_RNA) where: Base-Base interactions energy: -0.889 where: short stacking energy: -0.889 Base-Backbone interact. energy: -0.000 local terms energy: -96.644301 where: bonds (distance) C4'-P energy: -25.261 bonds (distance) P-C4' energy: -24.156 flat angles C4'-P-C4' energy: -19.090 flat angles P-C4'-P energy: -21.837 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -97.533461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.533461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.533461 (E_RNA) where: Base-Base interactions energy: -0.889 where: short stacking energy: -0.889 Base-Backbone interact. energy: -0.000 local terms energy: -96.644301 where: bonds (distance) C4'-P energy: -25.261 bonds (distance) P-C4' energy: -24.156 flat angles C4'-P-C4' energy: -19.090 flat angles P-C4'-P energy: -21.837 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: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -97.533461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.533461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.533461 (E_RNA) where: Base-Base interactions energy: -0.889 where: short stacking energy: -0.889 Base-Backbone interact. energy: -0.000 local terms energy: -96.644301 where: bonds (distance) C4'-P energy: -25.261 bonds (distance) P-C4' energy: -24.156 flat angles C4'-P-C4' energy: -19.090 flat angles P-C4'-P energy: -21.837 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: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -97.533461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.533461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.533461 (E_RNA) where: Base-Base interactions energy: -0.889 where: short stacking energy: -0.889 Base-Backbone interact. energy: -0.000 local terms energy: -96.644301 where: bonds (distance) C4'-P energy: -25.261 bonds (distance) P-C4' energy: -24.156 flat angles C4'-P-C4' energy: -19.090 flat angles P-C4'-P energy: -21.837 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: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -97.533461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.533461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.533461 (E_RNA) where: Base-Base interactions energy: -0.889 where: short stacking energy: -0.889 Base-Backbone interact. energy: -0.000 local terms energy: -96.644301 where: bonds (distance) C4'-P energy: -25.261 bonds (distance) P-C4' energy: -24.156 flat angles C4'-P-C4' energy: -19.090 flat angles P-C4'-P energy: -21.837 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: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -97.533461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.533461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.533461 (E_RNA) where: Base-Base interactions energy: -0.889 where: short stacking energy: -0.889 Base-Backbone interact. energy: -0.000 local terms energy: -96.644301 where: bonds (distance) C4'-P energy: -25.261 bonds (distance) P-C4' energy: -24.156 flat angles C4'-P-C4' energy: -19.090 flat angles P-C4'-P energy: -21.837 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -97.533461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.533461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.533461 (E_RNA) where: Base-Base interactions energy: -0.889 where: short stacking energy: -0.889 Base-Backbone interact. energy: -0.000 local terms energy: -96.644301 where: bonds (distance) C4'-P energy: -25.261 bonds (distance) P-C4' energy: -24.156 flat angles C4'-P-C4' energy: -19.090 flat angles P-C4'-P energy: -21.837 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: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -205.223066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.223066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.223066 (E_RNA) where: Base-Base interactions energy: -109.557 where: short stacking energy: -109.557 Base-Backbone interact. energy: 0.063 local terms energy: -95.728996 where: bonds (distance) C4'-P energy: -18.116 bonds (distance) P-C4' energy: -18.659 flat angles C4'-P-C4' energy: -21.937 flat angles P-C4'-P energy: -12.468 tors. eta vs tors. theta energy: -24.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -202.027786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.027786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.027786 (E_RNA) where: Base-Base interactions energy: -111.731 where: short stacking energy: -111.731 Base-Backbone interact. energy: -0.006 local terms energy: -90.290112 where: bonds (distance) C4'-P energy: -16.039 bonds (distance) P-C4' energy: -18.298 flat angles C4'-P-C4' energy: -23.460 flat angles P-C4'-P energy: -9.893 tors. eta vs tors. theta energy: -22.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -177.148603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.148603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.148603 (E_RNA) where: Base-Base interactions energy: -90.130 where: short stacking energy: -89.899 Base-Backbone interact. energy: -0.955 local terms energy: -86.064288 where: bonds (distance) C4'-P energy: -19.880 bonds (distance) P-C4' energy: -20.986 flat angles C4'-P-C4' energy: -13.669 flat angles P-C4'-P energy: -10.112 tors. eta vs tors. theta energy: -21.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -169.791877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.791877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.791877 (E_RNA) where: Base-Base interactions energy: -85.367 where: short stacking energy: -85.367 Base-Backbone interact. energy: -0.139 local terms energy: -84.286271 where: bonds (distance) C4'-P energy: -17.819 bonds (distance) P-C4' energy: -19.374 flat angles C4'-P-C4' energy: -19.730 flat angles P-C4'-P energy: -13.614 tors. eta vs tors. theta energy: -13.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -172.129221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.129221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.129221 (E_RNA) where: Base-Base interactions energy: -86.495 where: short stacking energy: -86.495 Base-Backbone interact. energy: 0.909 local terms energy: -86.544050 where: bonds (distance) C4'-P energy: -16.227 bonds (distance) P-C4' energy: -20.147 flat angles C4'-P-C4' energy: -19.842 flat angles P-C4'-P energy: -14.263 tors. eta vs tors. theta energy: -16.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -155.047921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.047921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.047921 (E_RNA) where: Base-Base interactions energy: -84.003 where: short stacking energy: -84.003 Base-Backbone interact. energy: -0.006 local terms energy: -71.039146 where: bonds (distance) C4'-P energy: -14.252 bonds (distance) P-C4' energy: -14.615 flat angles C4'-P-C4' energy: -12.281 flat angles P-C4'-P energy: -12.406 tors. eta vs tors. theta energy: -17.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -144.818948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.818948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.818948 (E_RNA) where: Base-Base interactions energy: -70.789 where: short stacking energy: -70.532 Base-Backbone interact. energy: -1.409 local terms energy: -72.621143 where: bonds (distance) C4'-P energy: -12.523 bonds (distance) P-C4' energy: -20.347 flat angles C4'-P-C4' energy: -17.409 flat angles P-C4'-P energy: -8.963 tors. eta vs tors. theta energy: -13.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -128.132472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.132472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.132472 (E_RNA) where: Base-Base interactions energy: -66.648 where: short stacking energy: -66.648 Base-Backbone interact. energy: -0.100 local terms energy: -61.383949 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -14.746 flat angles C4'-P-C4' energy: -18.159 flat angles P-C4'-P energy: -6.184 tors. eta vs tors. theta energy: -9.835 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -122.034269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.034269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.034269 (E_RNA) where: Base-Base interactions energy: -64.411 where: short stacking energy: -64.411 Base-Backbone interact. energy: -0.184 local terms energy: -57.439345 where: bonds (distance) C4'-P energy: -17.566 bonds (distance) P-C4' energy: -10.151 flat angles C4'-P-C4' energy: -9.828 flat angles P-C4'-P energy: -8.642 tors. eta vs tors. theta energy: -11.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -112.718403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.718403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.718403 (E_RNA) where: Base-Base interactions energy: -48.321 where: short stacking energy: -48.321 Base-Backbone interact. energy: 1.571 local terms energy: -65.968632 where: bonds (distance) C4'-P energy: -20.778 bonds (distance) P-C4' energy: -17.925 flat angles C4'-P-C4' energy: -10.702 flat angles P-C4'-P energy: -11.666 tors. eta vs tors. theta energy: -4.898 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -205.895405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.895405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.895405 (E_RNA) where: Base-Base interactions energy: -111.072 where: short stacking energy: -111.072 Base-Backbone interact. energy: -0.076 local terms energy: -94.747592 where: bonds (distance) C4'-P energy: -18.462 bonds (distance) P-C4' energy: -21.440 flat angles C4'-P-C4' energy: -19.776 flat angles P-C4'-P energy: -13.176 tors. eta vs tors. theta energy: -21.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -197.086267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.086267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.086267 (E_RNA) where: Base-Base interactions energy: -105.705 where: short stacking energy: -105.705 Base-Backbone interact. energy: -0.000 local terms energy: -91.381225 where: bonds (distance) C4'-P energy: -16.652 bonds (distance) P-C4' energy: -20.837 flat angles C4'-P-C4' energy: -15.125 flat angles P-C4'-P energy: -14.594 tors. eta vs tors. theta energy: -24.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -192.952969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.952969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.952969 (E_RNA) where: Base-Base interactions energy: -101.295 where: short stacking energy: -99.332 Base-Backbone interact. energy: 0.450 local terms energy: -92.108235 where: bonds (distance) C4'-P energy: -20.794 bonds (distance) P-C4' energy: -21.747 flat angles C4'-P-C4' energy: -17.118 flat angles P-C4'-P energy: -12.267 tors. eta vs tors. theta energy: -20.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -171.815981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.815981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.815981 (E_RNA) where: Base-Base interactions energy: -96.108 where: short stacking energy: -96.108 Base-Backbone interact. energy: -0.114 local terms energy: -75.594617 where: bonds (distance) C4'-P energy: -16.437 bonds (distance) P-C4' energy: -15.304 flat angles C4'-P-C4' energy: -19.688 flat angles P-C4'-P energy: -11.570 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: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -152.624932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.624932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.624932 (E_RNA) where: Base-Base interactions energy: -78.342 where: short stacking energy: -78.342 Base-Backbone interact. energy: -0.338 local terms energy: -73.944812 where: bonds (distance) C4'-P energy: -17.233 bonds (distance) P-C4' energy: -17.566 flat angles C4'-P-C4' energy: -14.943 flat angles P-C4'-P energy: -12.194 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: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -168.585087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.585087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.585087 (E_RNA) where: Base-Base interactions energy: -88.462 where: short stacking energy: -87.686 Base-Backbone interact. energy: -1.382 local terms energy: -78.740872 where: bonds (distance) C4'-P energy: -15.027 bonds (distance) P-C4' energy: -16.856 flat angles C4'-P-C4' energy: -17.624 flat angles P-C4'-P energy: -14.386 tors. eta vs tors. theta energy: -14.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -133.932910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.932910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.932910 (E_RNA) where: Base-Base interactions energy: -59.978 where: short stacking energy: -59.978 Base-Backbone interact. energy: -0.256 local terms energy: -73.699033 where: bonds (distance) C4'-P energy: -18.505 bonds (distance) P-C4' energy: -17.861 flat angles C4'-P-C4' energy: -13.850 flat angles P-C4'-P energy: -12.114 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: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -142.426095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.426095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.426095 (E_RNA) where: Base-Base interactions energy: -76.073 where: short stacking energy: -76.073 Base-Backbone interact. energy: -0.080 local terms energy: -66.273184 where: bonds (distance) C4'-P energy: -15.038 bonds (distance) P-C4' energy: -12.113 flat angles C4'-P-C4' energy: -14.742 flat angles P-C4'-P energy: -10.185 tors. eta vs tors. theta energy: -14.196 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: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -107.043830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.043830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.043830 (E_RNA) where: Base-Base interactions energy: -51.195 where: short stacking energy: -50.645 Base-Backbone interact. energy: -0.513 local terms energy: -55.336422 where: bonds (distance) C4'-P energy: -18.452 bonds (distance) P-C4' energy: -17.516 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -7.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -122.833950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.833950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.833950 (E_RNA) where: Base-Base interactions energy: -64.257 where: short stacking energy: -63.858 Base-Backbone interact. energy: -0.079 local terms energy: -58.497849 where: bonds (distance) C4'-P energy: -10.594 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -20.388 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -10.012 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: 2 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -218.708653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.708653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.708653 (E_RNA) where: Base-Base interactions energy: -120.110 where: short stacking energy: -120.110 Base-Backbone interact. energy: -0.001 local terms energy: -98.597509 where: bonds (distance) C4'-P energy: -16.539 bonds (distance) P-C4' energy: -19.971 flat angles C4'-P-C4' energy: -22.139 flat angles P-C4'-P energy: -14.860 tors. eta vs tors. theta energy: -25.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -179.953958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.953958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.953958 (E_RNA) where: Base-Base interactions energy: -93.971 where: short stacking energy: -93.971 Base-Backbone interact. energy: 0.151 local terms energy: -86.133228 where: bonds (distance) C4'-P energy: -14.325 bonds (distance) P-C4' energy: -19.044 flat angles C4'-P-C4' energy: -22.312 flat angles P-C4'-P energy: -11.911 tors. eta vs tors. theta energy: -18.540 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: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -190.731018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.731018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.731018 (E_RNA) where: Base-Base interactions energy: -108.434 where: short stacking energy: -108.434 Base-Backbone interact. energy: -0.005 local terms energy: -82.291153 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -13.639 flat angles C4'-P-C4' energy: -16.669 flat angles P-C4'-P energy: -13.679 tors. eta vs tors. theta energy: -24.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -168.060596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.060596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.060596 (E_RNA) where: Base-Base interactions energy: -80.311 where: short stacking energy: -80.311 Base-Backbone interact. energy: -0.893 local terms energy: -86.856253 where: bonds (distance) C4'-P energy: -18.811 bonds (distance) P-C4' energy: -22.117 flat angles C4'-P-C4' energy: -19.581 flat angles P-C4'-P energy: -11.825 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: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -159.891038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.891038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.891038 (E_RNA) where: Base-Base interactions energy: -84.141 where: short stacking energy: -84.141 Base-Backbone interact. energy: -0.019 local terms energy: -75.730191 where: bonds (distance) C4'-P energy: -17.179 bonds (distance) P-C4' energy: -18.503 flat angles C4'-P-C4' energy: -15.965 flat angles P-C4'-P energy: -8.211 tors. eta vs tors. theta energy: -15.873 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: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -150.278803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.278803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.278803 (E_RNA) where: Base-Base interactions energy: -75.247 where: short stacking energy: -75.247 Base-Backbone interact. energy: 0.009 local terms energy: -75.041266 where: bonds (distance) C4'-P energy: -16.108 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -16.598 flat angles P-C4'-P energy: -13.759 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: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -125.804928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.804928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.804928 (E_RNA) where: Base-Base interactions energy: -64.491 where: short stacking energy: -64.491 Base-Backbone interact. energy: -0.186 local terms energy: -61.127306 where: bonds (distance) C4'-P energy: -12.847 bonds (distance) P-C4' energy: -16.356 flat angles C4'-P-C4' energy: -18.222 flat angles P-C4'-P energy: -10.045 tors. eta vs tors. theta energy: -3.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -137.543028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.543028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.543028 (E_RNA) where: Base-Base interactions energy: -66.094 where: short stacking energy: -66.094 Base-Backbone interact. energy: -0.123 local terms energy: -71.326462 where: bonds (distance) C4'-P energy: -13.976 bonds (distance) P-C4' energy: -16.192 flat angles C4'-P-C4' energy: -14.275 flat angles P-C4'-P energy: -12.298 tors. eta vs tors. theta energy: -14.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -118.569480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.569480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.569480 (E_RNA) where: Base-Base interactions energy: -59.935 where: short stacking energy: -54.515 Base-Backbone interact. energy: -0.298 local terms energy: -58.336553 where: bonds (distance) C4'-P energy: -15.819 bonds (distance) P-C4' energy: -16.092 flat angles C4'-P-C4' energy: -13.206 flat angles P-C4'-P energy: -11.053 tors. eta vs tors. theta energy: -2.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -110.850067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.850067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.850067 (E_RNA) where: Base-Base interactions energy: -38.359 where: short stacking energy: -38.359 Base-Backbone interact. energy: -1.282 local terms energy: -71.209569 where: bonds (distance) C4'-P energy: -21.019 bonds (distance) P-C4' energy: -17.036 flat angles C4'-P-C4' energy: -12.575 flat angles P-C4'-P energy: -14.967 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: 1, replica: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -210.833068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.833068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.833068 (E_RNA) where: Base-Base interactions energy: -114.820 where: short stacking energy: -114.363 Base-Backbone interact. energy: -0.001 local terms energy: -96.012319 where: bonds (distance) C4'-P energy: -14.403 bonds (distance) P-C4' energy: -18.115 flat angles C4'-P-C4' energy: -19.783 flat angles P-C4'-P energy: -15.098 tors. eta vs tors. theta energy: -28.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -212.414608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.414608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.414608 (E_RNA) where: Base-Base interactions energy: -114.676 where: short stacking energy: -114.676 Base-Backbone interact. energy: -0.001 local terms energy: -97.737500 where: bonds (distance) C4'-P energy: -19.234 bonds (distance) P-C4' energy: -19.490 flat angles C4'-P-C4' energy: -18.683 flat angles P-C4'-P energy: -12.696 tors. eta vs tors. theta energy: -27.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -189.205416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.205416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.205416 (E_RNA) where: Base-Base interactions energy: -98.193 where: short stacking energy: -98.193 Base-Backbone interact. energy: -0.088 local terms energy: -90.923891 where: bonds (distance) C4'-P energy: -19.767 bonds (distance) P-C4' energy: -16.041 flat angles C4'-P-C4' energy: -18.194 flat angles P-C4'-P energy: -12.105 tors. eta vs tors. theta energy: -24.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -172.429496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.429496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.429496 (E_RNA) where: Base-Base interactions energy: -85.192 where: short stacking energy: -84.662 Base-Backbone interact. energy: -0.092 local terms energy: -87.144972 where: bonds (distance) C4'-P energy: -18.141 bonds (distance) P-C4' energy: -18.629 flat angles C4'-P-C4' energy: -19.581 flat angles P-C4'-P energy: -12.232 tors. eta vs tors. theta energy: -18.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -163.877803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.877803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.877803 (E_RNA) where: Base-Base interactions energy: -85.020 where: short stacking energy: -84.636 Base-Backbone interact. energy: -0.347 local terms energy: -78.510173 where: bonds (distance) C4'-P energy: -17.609 bonds (distance) P-C4' energy: -12.891 flat angles C4'-P-C4' energy: -20.590 flat angles P-C4'-P energy: -13.297 tors. eta vs tors. theta energy: -14.124 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: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -146.036591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.036591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.036591 (E_RNA) where: Base-Base interactions energy: -75.043 where: short stacking energy: -75.043 Base-Backbone interact. energy: 0.859 local terms energy: -71.853220 where: bonds (distance) C4'-P energy: -18.856 bonds (distance) P-C4' energy: -17.881 flat angles C4'-P-C4' energy: -18.863 flat angles P-C4'-P energy: -4.671 tors. eta vs tors. theta energy: -11.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -146.380582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.380582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.380582 (E_RNA) where: Base-Base interactions energy: -69.605 where: short stacking energy: -68.946 Base-Backbone interact. energy: -0.113 local terms energy: -76.662119 where: bonds (distance) C4'-P energy: -16.055 bonds (distance) P-C4' energy: -18.549 flat angles C4'-P-C4' energy: -17.526 flat angles P-C4'-P energy: -9.011 tors. eta vs tors. theta energy: -15.522 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: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -133.384163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.384163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.384163 (E_RNA) where: Base-Base interactions energy: -64.818 where: short stacking energy: -63.827 Base-Backbone interact. energy: -0.175 local terms energy: -68.391589 where: bonds (distance) C4'-P energy: -16.890 bonds (distance) P-C4' energy: -15.221 flat angles C4'-P-C4' energy: -16.650 flat angles P-C4'-P energy: -8.148 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: 9, replica: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -125.220174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.220174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.220174 (E_RNA) where: Base-Base interactions energy: -60.876 where: short stacking energy: -60.876 Base-Backbone interact. energy: -0.200 local terms energy: -64.144388 where: bonds (distance) C4'-P energy: -17.155 bonds (distance) P-C4' energy: -13.354 flat angles C4'-P-C4' energy: -12.652 flat angles P-C4'-P energy: -10.657 tors. eta vs tors. theta energy: -10.327 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: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -108.326886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.326886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.326886 (E_RNA) where: Base-Base interactions energy: -51.215 where: short stacking energy: -51.215 Base-Backbone interact. energy: -0.154 local terms energy: -56.957800 where: bonds (distance) C4'-P energy: -11.630 bonds (distance) P-C4' energy: -18.317 flat angles C4'-P-C4' energy: -14.844 flat angles P-C4'-P energy: -7.002 tors. eta vs tors. theta energy: -5.164 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: 1, replica: 5 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -220.461325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.461325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.461325 (E_RNA) where: Base-Base interactions energy: -119.446 where: short stacking energy: -119.446 Base-Backbone interact. energy: -0.000 local terms energy: -101.015183 where: bonds (distance) C4'-P energy: -17.537 bonds (distance) P-C4' energy: -21.153 flat angles C4'-P-C4' energy: -21.307 flat angles P-C4'-P energy: -13.600 tors. eta vs tors. theta energy: -27.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -211.748263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.748263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.748263 (E_RNA) where: Base-Base interactions energy: -116.673 where: short stacking energy: -116.673 Base-Backbone interact. energy: -0.103 local terms energy: -94.972784 where: bonds (distance) C4'-P energy: -16.634 bonds (distance) P-C4' energy: -17.627 flat angles C4'-P-C4' energy: -21.051 flat angles P-C4'-P energy: -12.900 tors. eta vs tors. theta energy: -26.761 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: 6 Temperature: 1.000000 Total energy: -193.737384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.737384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.737384 (E_RNA) where: Base-Base interactions energy: -96.979 where: short stacking energy: -96.979 Base-Backbone interact. energy: -0.000 local terms energy: -96.758202 where: bonds (distance) C4'-P energy: -20.505 bonds (distance) P-C4' energy: -22.085 flat angles C4'-P-C4' energy: -21.147 flat angles P-C4'-P energy: -13.339 tors. eta vs tors. theta energy: -19.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -187.398098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.398098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.398098 (E_RNA) where: Base-Base interactions energy: -95.773 where: short stacking energy: -95.674 Base-Backbone interact. energy: -0.020 local terms energy: -91.605006 where: bonds (distance) C4'-P energy: -19.020 bonds (distance) P-C4' energy: -19.154 flat angles C4'-P-C4' energy: -18.463 flat angles P-C4'-P energy: -14.121 tors. eta vs tors. theta energy: -20.847 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: 5, replica: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -163.212154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.212154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.212154 (E_RNA) where: Base-Base interactions energy: -82.968 where: short stacking energy: -82.968 Base-Backbone interact. energy: -0.120 local terms energy: -80.123767 where: bonds (distance) C4'-P energy: -14.945 bonds (distance) P-C4' energy: -16.964 flat angles C4'-P-C4' energy: -15.825 flat angles P-C4'-P energy: -14.138 tors. eta vs tors. theta energy: -18.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -146.373312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.373312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.373312 (E_RNA) where: Base-Base interactions energy: -72.467 where: short stacking energy: -71.506 Base-Backbone interact. energy: -0.043 local terms energy: -73.863858 where: bonds (distance) C4'-P energy: -18.952 bonds (distance) P-C4' energy: -18.992 flat angles C4'-P-C4' energy: -19.658 flat angles P-C4'-P energy: -1.263 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: 7, replica: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -133.145774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.145774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.145774 (E_RNA) where: Base-Base interactions energy: -60.815 where: short stacking energy: -60.754 Base-Backbone interact. energy: -1.421 local terms energy: -70.909594 where: bonds (distance) C4'-P energy: -14.631 bonds (distance) P-C4' energy: -16.276 flat angles C4'-P-C4' energy: -20.703 flat angles P-C4'-P energy: -12.589 tors. eta vs tors. theta energy: -6.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -129.959897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.959897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.959897 (E_RNA) where: Base-Base interactions energy: -57.735 where: short stacking energy: -57.735 Base-Backbone interact. energy: 0.259 local terms energy: -72.483083 where: bonds (distance) C4'-P energy: -10.349 bonds (distance) P-C4' energy: -19.292 flat angles C4'-P-C4' energy: -19.230 flat angles P-C4'-P energy: -13.030 tors. eta vs tors. theta energy: -10.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -110.178915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.178915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.178915 (E_RNA) where: Base-Base interactions energy: -50.998 where: short stacking energy: -50.998 Base-Backbone interact. energy: -0.031 local terms energy: -59.149859 where: bonds (distance) C4'-P energy: -16.630 bonds (distance) P-C4' energy: -13.148 flat angles C4'-P-C4' energy: -15.948 flat angles P-C4'-P energy: -8.235 tors. eta vs tors. theta energy: -5.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -107.184289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.184289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.184289 (E_RNA) where: Base-Base interactions energy: -53.145 where: short stacking energy: -50.465 Base-Backbone interact. energy: -0.200 local terms energy: -53.840194 where: bonds (distance) C4'-P energy: -15.324 bonds (distance) P-C4' energy: -14.579 flat angles C4'-P-C4' energy: -14.291 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -5.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -211.215148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.215148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.215148 (E_RNA) where: Base-Base interactions energy: -110.626 where: short stacking energy: -110.626 Base-Backbone interact. energy: -0.069 local terms energy: -100.520112 where: bonds (distance) C4'-P energy: -17.075 bonds (distance) P-C4' energy: -17.417 flat angles C4'-P-C4' energy: -22.216 flat angles P-C4'-P energy: -16.293 tors. eta vs tors. theta energy: -27.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -204.527996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.527996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.527996 (E_RNA) where: Base-Base interactions energy: -113.325 where: short stacking energy: -113.325 Base-Backbone interact. energy: -0.110 local terms energy: -91.092898 where: bonds (distance) C4'-P energy: -18.182 bonds (distance) P-C4' energy: -16.113 flat angles C4'-P-C4' energy: -20.581 flat angles P-C4'-P energy: -12.577 tors. eta vs tors. theta energy: -23.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -200.140894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.140894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.140894 (E_RNA) where: Base-Base interactions energy: -112.819 where: short stacking energy: -112.819 Base-Backbone interact. energy: -0.046 local terms energy: -87.275445 where: bonds (distance) C4'-P energy: -14.862 bonds (distance) P-C4' energy: -17.781 flat angles C4'-P-C4' energy: -19.820 flat angles P-C4'-P energy: -9.124 tors. eta vs tors. theta energy: -25.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -180.776938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.776938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.776938 (E_RNA) where: Base-Base interactions energy: -95.900 where: short stacking energy: -95.900 Base-Backbone interact. energy: -0.002 local terms energy: -84.874957 where: bonds (distance) C4'-P energy: -17.184 bonds (distance) P-C4' energy: -19.076 flat angles C4'-P-C4' energy: -18.819 flat angles P-C4'-P energy: -9.528 tors. eta vs tors. theta energy: -20.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -156.101261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.101261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.101261 (E_RNA) where: Base-Base interactions energy: -72.824 where: short stacking energy: -72.702 Base-Backbone interact. energy: -0.168 local terms energy: -83.109007 where: bonds (distance) C4'-P energy: -18.654 bonds (distance) P-C4' energy: -21.700 flat angles C4'-P-C4' energy: -14.984 flat angles P-C4'-P energy: -15.441 tors. eta vs tors. theta energy: -12.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -146.883125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.883125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.883125 (E_RNA) where: Base-Base interactions energy: -74.782 where: short stacking energy: -74.782 Base-Backbone interact. energy: -0.605 local terms energy: -71.495809 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -20.659 flat angles C4'-P-C4' energy: -19.070 flat angles P-C4'-P energy: -7.834 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: 7, replica: 8 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -138.193981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.193981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.193981 (E_RNA) where: Base-Base interactions energy: -73.365 where: short stacking energy: -73.365 Base-Backbone interact. energy: -0.093 local terms energy: -64.736156 where: bonds (distance) C4'-P energy: -11.687 bonds (distance) P-C4' energy: -9.132 flat angles C4'-P-C4' energy: -15.362 flat angles P-C4'-P energy: -12.639 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: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -125.547170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.547170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.547170 (E_RNA) where: Base-Base interactions energy: -64.732 where: short stacking energy: -65.032 Base-Backbone interact. energy: -0.036 local terms energy: -60.779099 where: bonds (distance) C4'-P energy: -12.627 bonds (distance) P-C4' energy: -16.612 flat angles C4'-P-C4' energy: -15.588 flat angles P-C4'-P energy: -8.909 tors. eta vs tors. theta energy: -7.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -134.836155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.836155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.836155 (E_RNA) where: Base-Base interactions energy: -61.085 where: short stacking energy: -59.280 Base-Backbone interact. energy: -1.210 local terms energy: -72.541520 where: bonds (distance) C4'-P energy: -16.762 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -18.971 flat angles P-C4'-P energy: -11.635 tors. eta vs tors. theta energy: -10.193 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: 7 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -127.861427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.861427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.861427 (E_RNA) where: Base-Base interactions energy: -49.550 where: short stacking energy: -49.447 Base-Backbone interact. energy: -0.048 local terms energy: -78.263536 where: bonds (distance) C4'-P energy: -19.537 bonds (distance) P-C4' energy: -13.273 flat angles C4'-P-C4' energy: -19.077 flat angles P-C4'-P energy: -13.945 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: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -220.972888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.972888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.972888 (E_RNA) where: Base-Base interactions energy: -121.772 where: short stacking energy: -121.772 Base-Backbone interact. energy: 0.408 local terms energy: -99.609624 where: bonds (distance) C4'-P energy: -20.365 bonds (distance) P-C4' energy: -19.809 flat angles C4'-P-C4' energy: -18.272 flat angles P-C4'-P energy: -12.860 tors. eta vs tors. theta energy: -28.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -209.225986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.225986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.225986 (E_RNA) where: Base-Base interactions energy: -114.948 where: short stacking energy: -114.948 Base-Backbone interact. energy: -0.000 local terms energy: -94.277379 where: bonds (distance) C4'-P energy: -13.276 bonds (distance) P-C4' energy: -18.952 flat angles C4'-P-C4' energy: -21.514 flat angles P-C4'-P energy: -12.681 tors. eta vs tors. theta energy: -27.853 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: 6 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -194.430725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.430725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.430725 (E_RNA) where: Base-Base interactions energy: -104.087 where: short stacking energy: -104.087 Base-Backbone interact. energy: -0.001 local terms energy: -90.342695 where: bonds (distance) C4'-P energy: -16.286 bonds (distance) P-C4' energy: -18.971 flat angles C4'-P-C4' energy: -18.182 flat angles P-C4'-P energy: -10.574 tors. eta vs tors. theta energy: -26.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -175.475293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.475293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.475293 (E_RNA) where: Base-Base interactions energy: -94.442 where: short stacking energy: -94.442 Base-Backbone interact. energy: -0.039 local terms energy: -80.994297 where: bonds (distance) C4'-P energy: -19.767 bonds (distance) P-C4' energy: -20.285 flat angles C4'-P-C4' energy: -13.102 flat angles P-C4'-P energy: -8.216 tors. eta vs tors. theta energy: -19.625 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: 3 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -153.111074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.111074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.111074 (E_RNA) where: Base-Base interactions energy: -77.152 where: short stacking energy: -77.152 Base-Backbone interact. energy: -0.751 local terms energy: -75.208103 where: bonds (distance) C4'-P energy: -17.631 bonds (distance) P-C4' energy: -18.968 flat angles C4'-P-C4' energy: -16.552 flat angles P-C4'-P energy: -7.770 tors. eta vs tors. theta energy: -14.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -151.991989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.991989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.991989 (E_RNA) where: Base-Base interactions energy: -79.521 where: short stacking energy: -73.792 Base-Backbone interact. energy: -0.274 local terms energy: -72.196452 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -18.999 flat angles C4'-P-C4' energy: -15.822 flat angles P-C4'-P energy: -8.700 tors. eta vs tors. theta energy: -14.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -147.086232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.086232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.086232 (E_RNA) where: Base-Base interactions energy: -70.843 where: short stacking energy: -67.452 Base-Backbone interact. energy: -0.280 local terms energy: -75.964018 where: bonds (distance) C4'-P energy: -20.166 bonds (distance) P-C4' energy: -19.757 flat angles C4'-P-C4' energy: -15.439 flat angles P-C4'-P energy: -9.251 tors. eta vs tors. theta energy: -11.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -138.281616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.281616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.281616 (E_RNA) where: Base-Base interactions energy: -71.789 where: short stacking energy: -71.789 Base-Backbone interact. energy: -0.139 local terms energy: -66.353514 where: bonds (distance) C4'-P energy: -11.141 bonds (distance) P-C4' energy: -16.721 flat angles C4'-P-C4' energy: -16.773 flat angles P-C4'-P energy: -8.996 tors. eta vs tors. theta energy: -12.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -126.823631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.823631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.823631 (E_RNA) where: Base-Base interactions energy: -55.884 where: short stacking energy: -55.884 Base-Backbone interact. energy: -0.016 local terms energy: -70.923361 where: bonds (distance) C4'-P energy: -16.083 bonds (distance) P-C4' energy: -14.471 flat angles C4'-P-C4' energy: -16.180 flat angles P-C4'-P energy: -14.216 tors. eta vs tors. theta energy: -9.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -102.736741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.736741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.736741 (E_RNA) where: Base-Base interactions energy: -37.291 where: short stacking energy: -37.291 Base-Backbone interact. energy: -0.066 local terms energy: -65.379815 where: bonds (distance) C4'-P energy: -16.774 bonds (distance) P-C4' energy: -18.357 flat angles C4'-P-C4' energy: -16.278 flat angles P-C4'-P energy: -6.714 tors. eta vs tors. theta energy: -7.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -223.399810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.399810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.399810 (E_RNA) where: Base-Base interactions energy: -121.713 where: short stacking energy: -121.713 Base-Backbone interact. energy: -0.004 local terms energy: -101.682779 where: bonds (distance) C4'-P energy: -16.987 bonds (distance) P-C4' energy: -18.326 flat angles C4'-P-C4' energy: -22.761 flat angles P-C4'-P energy: -13.973 tors. eta vs tors. theta energy: -29.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -203.228505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.228505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.228505 (E_RNA) where: Base-Base interactions energy: -112.986 where: short stacking energy: -112.986 Base-Backbone interact. energy: -0.002 local terms energy: -90.239998 where: bonds (distance) C4'-P energy: -14.709 bonds (distance) P-C4' energy: -19.523 flat angles C4'-P-C4' energy: -18.813 flat angles P-C4'-P energy: -10.934 tors. eta vs tors. theta energy: -26.261 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: 9 Temperature: 1.000000 Total energy: -195.400955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.400955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.400955 (E_RNA) where: Base-Base interactions energy: -100.513 where: short stacking energy: -100.513 Base-Backbone interact. energy: -0.005 local terms energy: -94.883240 where: bonds (distance) C4'-P energy: -15.620 bonds (distance) P-C4' energy: -20.651 flat angles C4'-P-C4' energy: -20.287 flat angles P-C4'-P energy: -14.277 tors. eta vs tors. theta energy: -24.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -181.279304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.279304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.279304 (E_RNA) where: Base-Base interactions energy: -91.802 where: short stacking energy: -91.802 Base-Backbone interact. energy: -0.813 local terms energy: -88.665099 where: bonds (distance) C4'-P energy: -19.305 bonds (distance) P-C4' energy: -16.182 flat angles C4'-P-C4' energy: -19.031 flat angles P-C4'-P energy: -13.436 tors. eta vs tors. theta energy: -20.713 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: 1 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -168.661399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.661399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.661399 (E_RNA) where: Base-Base interactions energy: -86.036 where: short stacking energy: -85.551 Base-Backbone interact. energy: -0.049 local terms energy: -82.576487 where: bonds (distance) C4'-P energy: -14.126 bonds (distance) P-C4' energy: -16.571 flat angles C4'-P-C4' energy: -19.508 flat angles P-C4'-P energy: -12.717 tors. eta vs tors. theta energy: -19.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -166.890563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.890563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.890563 (E_RNA) where: Base-Base interactions energy: -92.567 where: short stacking energy: -88.171 Base-Backbone interact. energy: -0.129 local terms energy: -74.194797 where: bonds (distance) C4'-P energy: -10.924 bonds (distance) P-C4' energy: -19.218 flat angles C4'-P-C4' energy: -18.186 flat angles P-C4'-P energy: -11.416 tors. eta vs tors. theta energy: -14.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -135.582414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.582414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.582414 (E_RNA) where: Base-Base interactions energy: -73.137 where: short stacking energy: -73.137 Base-Backbone interact. energy: -0.001 local terms energy: -62.444620 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -10.244 flat angles C4'-P-C4' energy: -14.486 flat angles P-C4'-P energy: -6.999 tors. eta vs tors. theta energy: -16.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -157.743668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.743668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.743668 (E_RNA) where: Base-Base interactions energy: -89.162 where: short stacking energy: -89.162 Base-Backbone interact. energy: -0.091 local terms energy: -68.490138 where: bonds (distance) C4'-P energy: -12.870 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -18.154 flat angles P-C4'-P energy: -10.649 tors. eta vs tors. theta energy: -11.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -117.896620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.896620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.896620 (E_RNA) where: Base-Base interactions energy: -59.720 where: short stacking energy: -59.720 Base-Backbone interact. energy: -0.232 local terms energy: -57.945124 where: bonds (distance) C4'-P energy: -9.343 bonds (distance) P-C4' energy: -17.844 flat angles C4'-P-C4' energy: -12.295 flat angles P-C4'-P energy: -9.559 tors. eta vs tors. theta energy: -8.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -108.218373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.218373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.218373 (E_RNA) where: Base-Base interactions energy: -47.697 where: short stacking energy: -47.697 Base-Backbone interact. energy: 1.505 local terms energy: -62.026947 where: bonds (distance) C4'-P energy: -14.568 bonds (distance) P-C4' energy: -20.820 flat angles C4'-P-C4' energy: -18.926 flat angles P-C4'-P energy: -6.830 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: 1, replica: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -209.047989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.047989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.047989 (E_RNA) where: Base-Base interactions energy: -115.384 where: short stacking energy: -115.145 Base-Backbone interact. energy: -0.376 local terms energy: -93.288253 where: bonds (distance) C4'-P energy: -17.666 bonds (distance) P-C4' energy: -20.333 flat angles C4'-P-C4' energy: -17.443 flat angles P-C4'-P energy: -12.391 tors. eta vs tors. theta energy: -25.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -203.411433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.411433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.411433 (E_RNA) where: Base-Base interactions energy: -109.598 where: short stacking energy: -109.598 Base-Backbone interact. energy: -0.027 local terms energy: -93.786103 where: bonds (distance) C4'-P energy: -16.261 bonds (distance) P-C4' energy: -21.674 flat angles C4'-P-C4' energy: -20.144 flat angles P-C4'-P energy: -13.501 tors. eta vs tors. theta energy: -22.206 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: 5 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -196.580744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.580744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.580744 (E_RNA) where: Base-Base interactions energy: -106.390 where: short stacking energy: -106.390 Base-Backbone interact. energy: -0.001 local terms energy: -90.189852 where: bonds (distance) C4'-P energy: -18.447 bonds (distance) P-C4' energy: -20.416 flat angles C4'-P-C4' energy: -14.901 flat angles P-C4'-P energy: -10.700 tors. eta vs tors. theta energy: -25.726 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: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -162.358778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.358778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.358778 (E_RNA) where: Base-Base interactions energy: -82.585 where: short stacking energy: -82.585 Base-Backbone interact. energy: -0.308 local terms energy: -79.465407 where: bonds (distance) C4'-P energy: -19.358 bonds (distance) P-C4' energy: -18.890 flat angles C4'-P-C4' energy: -20.171 flat angles P-C4'-P energy: -11.424 tors. eta vs tors. theta energy: -9.622 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: 10 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -181.843968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.843968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.843968 (E_RNA) where: Base-Base interactions energy: -95.040 where: short stacking energy: -95.040 Base-Backbone interact. energy: -0.998 local terms energy: -85.805831 where: bonds (distance) C4'-P energy: -18.635 bonds (distance) P-C4' energy: -17.717 flat angles C4'-P-C4' energy: -17.412 flat angles P-C4'-P energy: -11.787 tors. eta vs tors. theta energy: -20.256 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: 1 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -158.515887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.515887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.515887 (E_RNA) where: Base-Base interactions energy: -78.815 where: short stacking energy: -78.815 Base-Backbone interact. energy: -0.041 local terms energy: -79.659440 where: bonds (distance) C4'-P energy: -16.032 bonds (distance) P-C4' energy: -18.287 flat angles C4'-P-C4' energy: -18.482 flat angles P-C4'-P energy: -11.937 tors. eta vs tors. theta energy: -14.921 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: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -131.083323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.083323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.083323 (E_RNA) where: Base-Base interactions energy: -57.185 where: short stacking energy: -57.185 Base-Backbone interact. energy: -0.767 local terms energy: -73.131516 where: bonds (distance) C4'-P energy: -14.316 bonds (distance) P-C4' energy: -18.310 flat angles C4'-P-C4' energy: -18.357 flat angles P-C4'-P energy: -14.497 tors. eta vs tors. theta energy: -7.651 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: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -137.844013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.844013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.844013 (E_RNA) where: Base-Base interactions energy: -69.722 where: short stacking energy: -69.722 Base-Backbone interact. energy: 0.032 local terms energy: -68.154641 where: bonds (distance) C4'-P energy: -14.796 bonds (distance) P-C4' energy: -20.571 flat angles C4'-P-C4' energy: -8.132 flat angles P-C4'-P energy: -16.154 tors. eta vs tors. theta energy: -8.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -115.124703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.124703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.124703 (E_RNA) where: Base-Base interactions energy: -54.536 where: short stacking energy: -54.536 Base-Backbone interact. energy: -0.007 local terms energy: -60.581868 where: bonds (distance) C4'-P energy: -13.658 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -15.834 flat angles P-C4'-P energy: -7.507 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: 10, replica: 7 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -120.329251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.329251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.329251 (E_RNA) where: Base-Base interactions energy: -55.439 where: short stacking energy: -55.439 Base-Backbone interact. energy: -0.242 local terms energy: -64.647559 where: bonds (distance) C4'-P energy: -13.297 bonds (distance) P-C4' energy: -18.865 flat angles C4'-P-C4' energy: -20.311 flat angles P-C4'-P energy: -8.608 tors. eta vs tors. theta energy: -3.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -212.589771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.589771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.589771 (E_RNA) where: Base-Base interactions energy: -113.565 where: short stacking energy: -113.565 Base-Backbone interact. energy: -0.000 local terms energy: -99.024703 where: bonds (distance) C4'-P energy: -16.306 bonds (distance) P-C4' energy: -19.641 flat angles C4'-P-C4' energy: -20.913 flat angles P-C4'-P energy: -13.706 tors. eta vs tors. theta energy: -28.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -202.598506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.598506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.598506 (E_RNA) where: Base-Base interactions energy: -111.635 where: short stacking energy: -111.635 Base-Backbone interact. energy: -0.040 local terms energy: -90.923507 where: bonds (distance) C4'-P energy: -17.511 bonds (distance) P-C4' energy: -18.682 flat angles C4'-P-C4' energy: -17.755 flat angles P-C4'-P energy: -12.772 tors. eta vs tors. theta energy: -24.204 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: 5 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -177.867050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.867050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.867050 (E_RNA) where: Base-Base interactions energy: -94.313 where: short stacking energy: -94.313 Base-Backbone interact. energy: -0.024 local terms energy: -83.529946 where: bonds (distance) C4'-P energy: -17.441 bonds (distance) P-C4' energy: -20.523 flat angles C4'-P-C4' energy: -15.974 flat angles P-C4'-P energy: -13.410 tors. eta vs tors. theta energy: -16.182 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: 10 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -169.076056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.076056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.076056 (E_RNA) where: Base-Base interactions energy: -86.466 where: short stacking energy: -86.466 Base-Backbone interact. energy: -0.034 local terms energy: -82.576146 where: bonds (distance) C4'-P energy: -16.849 bonds (distance) P-C4' energy: -19.256 flat angles C4'-P-C4' energy: -16.295 flat angles P-C4'-P energy: -13.896 tors. eta vs tors. theta energy: -16.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -157.018323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.018323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.018323 (E_RNA) where: Base-Base interactions energy: -81.618 where: short stacking energy: -81.618 Base-Backbone interact. energy: -0.631 local terms energy: -74.769072 where: bonds (distance) C4'-P energy: -15.283 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -20.171 flat angles P-C4'-P energy: -8.992 tors. eta vs tors. theta energy: -15.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -152.919826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.919826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.919826 (E_RNA) where: Base-Base interactions energy: -82.247 where: short stacking energy: -82.247 Base-Backbone interact. energy: 2.106 local terms energy: -72.779170 where: bonds (distance) C4'-P energy: -16.847 bonds (distance) P-C4' energy: -12.953 flat angles C4'-P-C4' energy: -14.499 flat angles P-C4'-P energy: -13.212 tors. eta vs tors. theta energy: -15.268 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: 7, replica: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -147.719113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.719113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.719113 (E_RNA) where: Base-Base interactions energy: -74.231 where: short stacking energy: -74.231 Base-Backbone interact. energy: -0.049 local terms energy: -73.439247 where: bonds (distance) C4'-P energy: -13.997 bonds (distance) P-C4' energy: -19.969 flat angles C4'-P-C4' energy: -19.450 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -14.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -146.655148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.655148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.655148 (E_RNA) where: Base-Base interactions energy: -79.290 where: short stacking energy: -79.290 Base-Backbone interact. energy: -0.554 local terms energy: -66.810593 where: bonds (distance) C4'-P energy: -18.157 bonds (distance) P-C4' energy: -14.721 flat angles C4'-P-C4' energy: -11.658 flat angles P-C4'-P energy: -7.273 tors. eta vs tors. theta energy: -15.002 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: 4 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -146.383030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.383030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.383030 (E_RNA) where: Base-Base interactions energy: -71.845 where: short stacking energy: -71.845 Base-Backbone interact. energy: 0.039 local terms energy: -74.576780 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -16.026 flat angles C4'-P-C4' energy: -17.100 flat angles P-C4'-P energy: -15.121 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: 10, replica: 7 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -115.567713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.567713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.567713 (E_RNA) where: Base-Base interactions energy: -48.437 where: short stacking energy: -48.437 Base-Backbone interact. energy: -0.143 local terms energy: -66.987317 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -16.220 flat angles C4'-P-C4' energy: -20.258 flat angles P-C4'-P energy: -11.560 tors. eta vs tors. theta energy: -5.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -203.730698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.730698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.730698 (E_RNA) where: Base-Base interactions energy: -112.630 where: short stacking energy: -112.630 Base-Backbone interact. energy: -0.036 local terms energy: -91.064686 where: bonds (distance) C4'-P energy: -16.329 bonds (distance) P-C4' energy: -20.105 flat angles C4'-P-C4' energy: -18.935 flat angles P-C4'-P energy: -12.489 tors. eta vs tors. theta energy: -23.206 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: 6 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -194.350214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.350214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.350214 (E_RNA) where: Base-Base interactions energy: -102.348 where: short stacking energy: -102.326 Base-Backbone interact. energy: -0.109 local terms energy: -91.893625 where: bonds (distance) C4'-P energy: -17.702 bonds (distance) P-C4' energy: -16.608 flat angles C4'-P-C4' energy: -18.227 flat angles P-C4'-P energy: -13.415 tors. eta vs tors. theta energy: -25.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -183.058323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.058323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.058323 (E_RNA) where: Base-Base interactions energy: -101.466 where: short stacking energy: -101.466 Base-Backbone interact. energy: -0.137 local terms energy: -81.454925 where: bonds (distance) C4'-P energy: -16.663 bonds (distance) P-C4' energy: -17.508 flat angles C4'-P-C4' energy: -17.590 flat angles P-C4'-P energy: -11.998 tors. eta vs tors. theta energy: -17.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -179.643995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.643995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.643995 (E_RNA) where: Base-Base interactions energy: -88.216 where: short stacking energy: -88.216 Base-Backbone interact. energy: -0.375 local terms energy: -91.052753 where: bonds (distance) C4'-P energy: -19.400 bonds (distance) P-C4' energy: -20.027 flat angles C4'-P-C4' energy: -18.209 flat angles P-C4'-P energy: -12.981 tors. eta vs tors. theta energy: -20.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -163.311828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.311828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.311828 (E_RNA) where: Base-Base interactions energy: -82.295 where: short stacking energy: -82.295 Base-Backbone interact. energy: -0.026 local terms energy: -80.989918 where: bonds (distance) C4'-P energy: -16.163 bonds (distance) P-C4' energy: -17.180 flat angles C4'-P-C4' energy: -16.666 flat angles P-C4'-P energy: -16.197 tors. eta vs tors. theta energy: -14.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -161.037859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.037859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.037859 (E_RNA) where: Base-Base interactions energy: -91.162 where: short stacking energy: -91.162 Base-Backbone interact. energy: -0.667 local terms energy: -69.209398 where: bonds (distance) C4'-P energy: -16.493 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -13.338 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -17.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -152.822895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.822895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.822895 (E_RNA) where: Base-Base interactions energy: -75.048 where: short stacking energy: -75.048 Base-Backbone interact. energy: -0.029 local terms energy: -77.745520 where: bonds (distance) C4'-P energy: -17.184 bonds (distance) P-C4' energy: -17.928 flat angles C4'-P-C4' energy: -13.605 flat angles P-C4'-P energy: -14.019 tors. eta vs tors. theta energy: -15.008 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: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -137.277230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.277230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.277230 (E_RNA) where: Base-Base interactions energy: -67.337 where: short stacking energy: -67.337 Base-Backbone interact. energy: -0.046 local terms energy: -69.894001 where: bonds (distance) C4'-P energy: -10.267 bonds (distance) P-C4' energy: -18.454 flat angles C4'-P-C4' energy: -17.623 flat angles P-C4'-P energy: -11.851 tors. eta vs tors. theta energy: -11.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -145.317205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.317205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.317205 (E_RNA) where: Base-Base interactions energy: -73.824 where: short stacking energy: -73.663 Base-Backbone interact. energy: -0.038 local terms energy: -71.454962 where: bonds (distance) C4'-P energy: -15.397 bonds (distance) P-C4' energy: -16.420 flat angles C4'-P-C4' energy: -13.171 flat angles P-C4'-P energy: -6.956 tors. eta vs tors. theta energy: -19.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -117.221035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.221035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.221035 (E_RNA) where: Base-Base interactions energy: -52.609 where: short stacking energy: -51.050 Base-Backbone interact. energy: -0.126 local terms energy: -64.486346 where: bonds (distance) C4'-P energy: -8.562 bonds (distance) P-C4' energy: -21.865 flat angles C4'-P-C4' energy: -14.325 flat angles P-C4'-P energy: -11.113 tors. eta vs tors. theta energy: -8.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -206.380189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.380189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.380189 (E_RNA) where: Base-Base interactions energy: -112.888 where: short stacking energy: -112.888 Base-Backbone interact. energy: -0.002 local terms energy: -93.490685 where: bonds (distance) C4'-P energy: -17.508 bonds (distance) P-C4' energy: -17.470 flat angles C4'-P-C4' energy: -20.119 flat angles P-C4'-P energy: -12.955 tors. eta vs tors. theta energy: -25.439 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: 2, replica: 6 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -198.651275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.651275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.651275 (E_RNA) where: Base-Base interactions energy: -104.661 where: short stacking energy: -104.661 Base-Backbone interact. energy: -0.016 local terms energy: -93.974123 where: bonds (distance) C4'-P energy: -18.952 bonds (distance) P-C4' energy: -17.016 flat angles C4'-P-C4' energy: -19.336 flat angles P-C4'-P energy: -16.479 tors. eta vs tors. theta energy: -22.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -179.177480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.177480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.177480 (E_RNA) where: Base-Base interactions energy: -89.608 where: short stacking energy: -89.608 Base-Backbone interact. energy: -0.124 local terms energy: -89.445427 where: bonds (distance) C4'-P energy: -20.066 bonds (distance) P-C4' energy: -17.847 flat angles C4'-P-C4' energy: -20.569 flat angles P-C4'-P energy: -13.565 tors. eta vs tors. theta energy: -17.399 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: 5 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -168.921010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.921010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.921010 (E_RNA) where: Base-Base interactions energy: -81.288 where: short stacking energy: -81.288 Base-Backbone interact. energy: -0.005 local terms energy: -87.627632 where: bonds (distance) C4'-P energy: -20.369 bonds (distance) P-C4' energy: -18.820 flat angles C4'-P-C4' energy: -17.885 flat angles P-C4'-P energy: -9.993 tors. eta vs tors. theta energy: -20.561 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: 13 Temperature: 1.100000 Total energy: -148.914521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.914521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.914521 (E_RNA) where: Base-Base interactions energy: -67.316 where: short stacking energy: -67.233 Base-Backbone interact. energy: -0.017 local terms energy: -81.581447 where: bonds (distance) C4'-P energy: -16.475 bonds (distance) P-C4' energy: -19.357 flat angles C4'-P-C4' energy: -22.823 flat angles P-C4'-P energy: -8.076 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: 6, replica: 1 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -149.208685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.208685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.208685 (E_RNA) where: Base-Base interactions energy: -76.431 where: short stacking energy: -76.431 Base-Backbone interact. energy: -0.256 local terms energy: -72.521358 where: bonds (distance) C4'-P energy: -17.425 bonds (distance) P-C4' energy: -15.162 flat angles C4'-P-C4' energy: -16.958 flat angles P-C4'-P energy: -7.954 tors. eta vs tors. theta energy: -15.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -129.265518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.265518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.265518 (E_RNA) where: Base-Base interactions energy: -67.820 where: short stacking energy: -65.926 Base-Backbone interact. energy: -0.512 local terms energy: -60.933175 where: bonds (distance) C4'-P energy: -10.118 bonds (distance) P-C4' energy: -15.277 flat angles C4'-P-C4' energy: -16.043 flat angles P-C4'-P energy: -12.356 tors. eta vs tors. theta energy: -7.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -142.562538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.562538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.562538 (E_RNA) where: Base-Base interactions energy: -70.465 where: short stacking energy: -68.004 Base-Backbone interact. energy: -0.024 local terms energy: -72.072878 where: bonds (distance) C4'-P energy: -14.407 bonds (distance) P-C4' energy: -15.930 flat angles C4'-P-C4' energy: -14.397 flat angles P-C4'-P energy: -12.775 tors. eta vs tors. theta energy: -14.564 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: 4 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -121.221116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.221116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.221116 (E_RNA) where: Base-Base interactions energy: -70.411 where: short stacking energy: -61.615 Base-Backbone interact. energy: 3.038 local terms energy: -53.848113 where: bonds (distance) C4'-P energy: -13.603 bonds (distance) P-C4' energy: -7.310 flat angles C4'-P-C4' energy: -14.595 flat angles P-C4'-P energy: -10.458 tors. eta vs tors. theta energy: -7.882 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: 7 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -108.823873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.823873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.823873 (E_RNA) where: Base-Base interactions energy: -53.870 where: short stacking energy: -53.870 Base-Backbone interact. energy: -0.031 local terms energy: -54.922546 where: bonds (distance) C4'-P energy: -12.304 bonds (distance) P-C4' energy: -14.228 flat angles C4'-P-C4' energy: -13.109 flat angles P-C4'-P energy: -6.055 tors. eta vs tors. theta energy: -9.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -222.516338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.516338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.516338 (E_RNA) where: Base-Base interactions energy: -127.571 where: short stacking energy: -127.571 Base-Backbone interact. energy: -0.000 local terms energy: -94.945037 where: bonds (distance) C4'-P energy: -17.533 bonds (distance) P-C4' energy: -16.127 flat angles C4'-P-C4' energy: -19.969 flat angles P-C4'-P energy: -12.730 tors. eta vs tors. theta energy: -28.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -209.531441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.531441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.531441 (E_RNA) where: Base-Base interactions energy: -116.131 where: short stacking energy: -116.131 Base-Backbone interact. energy: -0.001 local terms energy: -93.399284 where: bonds (distance) C4'-P energy: -15.789 bonds (distance) P-C4' energy: -19.316 flat angles C4'-P-C4' energy: -22.017 flat angles P-C4'-P energy: -10.353 tors. eta vs tors. theta energy: -25.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -171.507213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.507213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.507213 (E_RNA) where: Base-Base interactions energy: -88.006 where: short stacking energy: -87.953 Base-Backbone interact. energy: -0.410 local terms energy: -83.090351 where: bonds (distance) C4'-P energy: -20.231 bonds (distance) P-C4' energy: -19.076 flat angles C4'-P-C4' energy: -18.250 flat angles P-C4'-P energy: -10.239 tors. eta vs tors. theta energy: -15.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -183.194330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.194330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.194330 (E_RNA) where: Base-Base interactions energy: -99.113 where: short stacking energy: -99.113 Base-Backbone interact. energy: -0.048 local terms energy: -84.033530 where: bonds (distance) C4'-P energy: -14.227 bonds (distance) P-C4' energy: -17.322 flat angles C4'-P-C4' energy: -21.311 flat angles P-C4'-P energy: -12.309 tors. eta vs tors. theta energy: -18.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -161.980490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.980490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.980490 (E_RNA) where: Base-Base interactions energy: -91.335 where: short stacking energy: -91.335 Base-Backbone interact. energy: -0.035 local terms energy: -70.610662 where: bonds (distance) C4'-P energy: -16.191 bonds (distance) P-C4' energy: -8.540 flat angles C4'-P-C4' energy: -15.062 flat angles P-C4'-P energy: -11.460 tors. eta vs tors. theta energy: -19.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -161.997189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.997189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.997189 (E_RNA) where: Base-Base interactions energy: -84.726 where: short stacking energy: -84.726 Base-Backbone interact. energy: -0.227 local terms energy: -77.044192 where: bonds (distance) C4'-P energy: -16.165 bonds (distance) P-C4' energy: -16.992 flat angles C4'-P-C4' energy: -18.547 flat angles P-C4'-P energy: -10.703 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: 7, replica: 8 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -129.989984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.989984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.989984 (E_RNA) where: Base-Base interactions energy: -68.234 where: short stacking energy: -68.067 Base-Backbone interact. energy: -0.142 local terms energy: -61.614071 where: bonds (distance) C4'-P energy: -18.315 bonds (distance) P-C4' energy: -18.998 flat angles C4'-P-C4' energy: -9.566 flat angles P-C4'-P energy: -5.269 tors. eta vs tors. theta energy: -9.467 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: 8, replica: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -113.963131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.963131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.963131 (E_RNA) where: Base-Base interactions energy: -47.024 where: short stacking energy: -47.024 Base-Backbone interact. energy: -0.185 local terms energy: -66.754427 where: bonds (distance) C4'-P energy: -18.266 bonds (distance) P-C4' energy: -15.667 flat angles C4'-P-C4' energy: -18.367 flat angles P-C4'-P energy: -7.075 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: 9, replica: 4 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -134.716360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.716360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.716360 (E_RNA) where: Base-Base interactions energy: -65.027 where: short stacking energy: -65.027 Base-Backbone interact. energy: -0.199 local terms energy: -69.490085 where: bonds (distance) C4'-P energy: -14.182 bonds (distance) P-C4' energy: -18.334 flat angles C4'-P-C4' energy: -18.393 flat angles P-C4'-P energy: -10.166 tors. eta vs tors. theta energy: -8.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -124.017974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.017974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.017974 (E_RNA) where: Base-Base interactions energy: -58.911 where: short stacking energy: -58.718 Base-Backbone interact. energy: -0.348 local terms energy: -64.758573 where: bonds (distance) C4'-P energy: -16.743 bonds (distance) P-C4' energy: -20.358 flat angles C4'-P-C4' energy: -15.425 flat angles P-C4'-P energy: -1.058 tors. eta vs tors. theta energy: -11.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -218.829319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.829319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.829319 (E_RNA) where: Base-Base interactions energy: -120.563 where: short stacking energy: -120.963 Base-Backbone interact. energy: -0.014 local terms energy: -98.251455 where: bonds (distance) C4'-P energy: -19.541 bonds (distance) P-C4' energy: -18.209 flat angles C4'-P-C4' energy: -20.253 flat angles P-C4'-P energy: -14.385 tors. eta vs tors. theta energy: -25.863 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: 2, replica: 10 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -187.825244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.825244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.825244 (E_RNA) where: Base-Base interactions energy: -102.597 where: short stacking energy: -102.597 Base-Backbone interact. energy: 1.755 local terms energy: -86.983316 where: bonds (distance) C4'-P energy: -17.961 bonds (distance) P-C4' energy: -21.519 flat angles C4'-P-C4' energy: -17.305 flat angles P-C4'-P energy: -9.263 tors. eta vs tors. theta energy: -20.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -182.137025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.137025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.137025 (E_RNA) where: Base-Base interactions energy: -95.845 where: short stacking energy: -95.606 Base-Backbone interact. energy: -0.010 local terms energy: -86.281755 where: bonds (distance) C4'-P energy: -18.691 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -21.685 flat angles P-C4'-P energy: -11.712 tors. eta vs tors. theta energy: -21.087 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: 1 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -175.908952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.908952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.908952 (E_RNA) where: Base-Base interactions energy: -94.542 where: short stacking energy: -94.542 Base-Backbone interact. energy: -1.379 local terms energy: -79.987574 where: bonds (distance) C4'-P energy: -18.166 bonds (distance) P-C4' energy: -16.518 flat angles C4'-P-C4' energy: -16.580 flat angles P-C4'-P energy: -9.167 tors. eta vs tors. theta energy: -19.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -170.885235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.885235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.885235 (E_RNA) where: Base-Base interactions energy: -90.604 where: short stacking energy: -90.604 Base-Backbone interact. energy: -0.007 local terms energy: -80.273627 where: bonds (distance) C4'-P energy: -9.993 bonds (distance) P-C4' energy: -20.046 flat angles C4'-P-C4' energy: -20.030 flat angles P-C4'-P energy: -11.803 tors. eta vs tors. theta energy: -18.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -143.481945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.481945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.481945 (E_RNA) where: Base-Base interactions energy: -76.844 where: short stacking energy: -76.844 Base-Backbone interact. energy: -0.087 local terms energy: -66.550913 where: bonds (distance) C4'-P energy: -11.765 bonds (distance) P-C4' energy: -19.291 flat angles C4'-P-C4' energy: -13.016 flat angles P-C4'-P energy: -12.754 tors. eta vs tors. theta energy: -9.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -153.851313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.851313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.851313 (E_RNA) where: Base-Base interactions energy: -81.050 where: short stacking energy: -81.050 Base-Backbone interact. energy: -0.028 local terms energy: -72.772440 where: bonds (distance) C4'-P energy: -15.192 bonds (distance) P-C4' energy: -18.830 flat angles C4'-P-C4' energy: -15.043 flat angles P-C4'-P energy: -7.940 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: 8, replica: 4 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -130.715930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.715930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.715930 (E_RNA) where: Base-Base interactions energy: -71.119 where: short stacking energy: -71.119 Base-Backbone interact. energy: -0.247 local terms energy: -59.350345 where: bonds (distance) C4'-P energy: -11.235 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -11.949 flat angles P-C4'-P energy: -8.976 tors. eta vs tors. theta energy: -11.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -119.999449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.999449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.999449 (E_RNA) where: Base-Base interactions energy: -57.120 where: short stacking energy: -57.120 Base-Backbone interact. energy: -0.278 local terms energy: -62.602299 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -16.084 flat angles P-C4'-P energy: -12.390 tors. eta vs tors. theta energy: -8.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -144.045845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.045845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.045845 (E_RNA) where: Base-Base interactions energy: -72.870 where: short stacking energy: -72.473 Base-Backbone interact. energy: -0.047 local terms energy: -71.129401 where: bonds (distance) C4'-P energy: -17.553 bonds (distance) P-C4' energy: -17.571 flat angles C4'-P-C4' energy: -12.464 flat angles P-C4'-P energy: -7.934 tors. eta vs tors. theta energy: -15.606 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: 10 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -200.483857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.483857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.483857 (E_RNA) where: Base-Base interactions energy: -107.397 where: short stacking energy: -107.123 Base-Backbone interact. energy: -0.066 local terms energy: -93.020365 where: bonds (distance) C4'-P energy: -20.814 bonds (distance) P-C4' energy: -19.604 flat angles C4'-P-C4' energy: -18.450 flat angles P-C4'-P energy: -15.035 tors. eta vs tors. theta energy: -19.117 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: 16 Temperature: 0.950000 Total energy: -212.566125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.566125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.566125 (E_RNA) where: Base-Base interactions energy: -107.268 where: short stacking energy: -107.268 Base-Backbone interact. energy: -0.005 local terms energy: -105.292182 where: bonds (distance) C4'-P energy: -17.637 bonds (distance) P-C4' energy: -20.391 flat angles C4'-P-C4' energy: -20.678 flat angles P-C4'-P energy: -17.804 tors. eta vs tors. theta energy: -28.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -179.272237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.272237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.272237 (E_RNA) where: Base-Base interactions energy: -94.980 where: short stacking energy: -90.690 Base-Backbone interact. energy: -0.195 local terms energy: -84.097002 where: bonds (distance) C4'-P energy: -19.841 bonds (distance) P-C4' energy: -15.266 flat angles C4'-P-C4' energy: -18.825 flat angles P-C4'-P energy: -15.254 tors. eta vs tors. theta energy: -14.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -184.506808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.506808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.506808 (E_RNA) where: Base-Base interactions energy: -98.726 where: short stacking energy: -98.726 Base-Backbone interact. energy: -0.000 local terms energy: -85.780064 where: bonds (distance) C4'-P energy: -18.066 bonds (distance) P-C4' energy: -17.326 flat angles C4'-P-C4' energy: -15.743 flat angles P-C4'-P energy: -12.518 tors. eta vs tors. theta energy: -22.127 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: 8 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -167.685850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.685850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.685850 (E_RNA) where: Base-Base interactions energy: -84.129 where: short stacking energy: -84.129 Base-Backbone interact. energy: -0.003 local terms energy: -83.554320 where: bonds (distance) C4'-P energy: -14.626 bonds (distance) P-C4' energy: -19.901 flat angles C4'-P-C4' energy: -19.911 flat angles P-C4'-P energy: -12.732 tors. eta vs tors. theta energy: -16.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -168.239780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.239780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.239780 (E_RNA) where: Base-Base interactions energy: -90.905 where: short stacking energy: -90.905 Base-Backbone interact. energy: -0.111 local terms energy: -77.223830 where: bonds (distance) C4'-P energy: -10.043 bonds (distance) P-C4' energy: -18.700 flat angles C4'-P-C4' energy: -16.017 flat angles P-C4'-P energy: -12.766 tors. eta vs tors. theta energy: -19.697 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: 4 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -148.216639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.216639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.216639 (E_RNA) where: Base-Base interactions energy: -72.012 where: short stacking energy: -72.012 Base-Backbone interact. energy: -0.003 local terms energy: -76.202166 where: bonds (distance) C4'-P energy: -16.207 bonds (distance) P-C4' energy: -20.292 flat angles C4'-P-C4' energy: -14.097 flat angles P-C4'-P energy: -8.455 tors. eta vs tors. theta energy: -17.152 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: 3 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -132.348485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.348485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.348485 (E_RNA) where: Base-Base interactions energy: -67.876 where: short stacking energy: -67.876 Base-Backbone interact. energy: -0.108 local terms energy: -64.363903 where: bonds (distance) C4'-P energy: -11.937 bonds (distance) P-C4' energy: -14.733 flat angles C4'-P-C4' energy: -12.227 flat angles P-C4'-P energy: -16.378 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: 9, replica: 7 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -111.429362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.429362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.429362 (E_RNA) where: Base-Base interactions energy: -46.253 where: short stacking energy: -46.253 Base-Backbone interact. energy: -0.326 local terms energy: -64.850103 where: bonds (distance) C4'-P energy: -19.444 bonds (distance) P-C4' energy: -19.241 flat angles C4'-P-C4' energy: -14.901 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -7.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -105.339211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.339211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.339211 (E_RNA) where: Base-Base interactions energy: -47.506 where: short stacking energy: -47.506 Base-Backbone interact. energy: -0.296 local terms energy: -57.537252 where: bonds (distance) C4'-P energy: -12.361 bonds (distance) P-C4' energy: -18.816 flat angles C4'-P-C4' energy: -10.441 flat angles P-C4'-P energy: -9.771 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: 1, replica: 10 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -204.765244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.765244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.765244 (E_RNA) where: Base-Base interactions energy: -112.293 where: short stacking energy: -111.240 Base-Backbone interact. energy: -0.269 local terms energy: -92.203335 where: bonds (distance) C4'-P energy: -18.869 bonds (distance) P-C4' energy: -17.982 flat angles C4'-P-C4' energy: -19.999 flat angles P-C4'-P energy: -12.307 tors. eta vs tors. theta energy: -23.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -183.050070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.050070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.050070 (E_RNA) where: Base-Base interactions energy: -97.158 where: short stacking energy: -97.158 Base-Backbone interact. energy: 0.157 local terms energy: -86.049462 where: bonds (distance) C4'-P energy: -15.251 bonds (distance) P-C4' energy: -16.587 flat angles C4'-P-C4' energy: -20.611 flat angles P-C4'-P energy: -18.492 tors. eta vs tors. theta energy: -15.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -189.480368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.480368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.480368 (E_RNA) where: Base-Base interactions energy: -96.469 where: short stacking energy: -96.469 Base-Backbone interact. energy: 1.314 local terms energy: -94.325325 where: bonds (distance) C4'-P energy: -18.944 bonds (distance) P-C4' energy: -18.502 flat angles C4'-P-C4' energy: -21.555 flat angles P-C4'-P energy: -11.343 tors. eta vs tors. theta energy: -23.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -207.888096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.888096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.888096 (E_RNA) where: Base-Base interactions energy: -113.125 where: short stacking energy: -113.125 Base-Backbone interact. energy: -0.048 local terms energy: -94.715061 where: bonds (distance) C4'-P energy: -20.886 bonds (distance) P-C4' energy: -20.512 flat angles C4'-P-C4' energy: -15.388 flat angles P-C4'-P energy: -12.929 tors. eta vs tors. theta energy: -25.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -165.964119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.964119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.964119 (E_RNA) where: Base-Base interactions energy: -87.866 where: short stacking energy: -87.866 Base-Backbone interact. energy: -0.225 local terms energy: -77.873018 where: bonds (distance) C4'-P energy: -10.627 bonds (distance) P-C4' energy: -20.451 flat angles C4'-P-C4' energy: -18.666 flat angles P-C4'-P energy: -10.224 tors. eta vs tors. theta energy: -17.905 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: 4 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -165.523294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.523294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.523294 (E_RNA) where: Base-Base interactions energy: -83.540 where: short stacking energy: -83.540 Base-Backbone interact. energy: -0.082 local terms energy: -81.901623 where: bonds (distance) C4'-P energy: -15.219 bonds (distance) P-C4' energy: -22.374 flat angles C4'-P-C4' energy: -16.240 flat angles P-C4'-P energy: -9.311 tors. eta vs tors. theta energy: -18.758 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: 17 Temperature: 1.200000 Total energy: -152.984738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.984738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.984738 (E_RNA) where: Base-Base interactions energy: -80.716 where: short stacking energy: -80.588 Base-Backbone interact. energy: -0.062 local terms energy: -72.206978 where: bonds (distance) C4'-P energy: -14.953 bonds (distance) P-C4' energy: -15.531 flat angles C4'-P-C4' energy: -19.532 flat angles P-C4'-P energy: -10.349 tors. eta vs tors. theta energy: -11.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -123.985409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.985409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.985409 (E_RNA) where: Base-Base interactions energy: -65.936 where: short stacking energy: -65.936 Base-Backbone interact. energy: -0.021 local terms energy: -58.028095 where: bonds (distance) C4'-P energy: -8.759 bonds (distance) P-C4' energy: -18.046 flat angles C4'-P-C4' energy: -15.298 flat angles P-C4'-P energy: -10.972 tors. eta vs tors. theta energy: -4.953 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: 9, replica: 3 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -139.325239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.325239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.325239 (E_RNA) where: Base-Base interactions energy: -66.540 where: short stacking energy: -65.477 Base-Backbone interact. energy: -0.000 local terms energy: -72.785140 where: bonds (distance) C4'-P energy: -12.574 bonds (distance) P-C4' energy: -18.695 flat angles C4'-P-C4' energy: -14.696 flat angles P-C4'-P energy: -12.611 tors. eta vs tors. theta energy: -14.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -127.790426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.790426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.790426 (E_RNA) where: Base-Base interactions energy: -60.659 where: short stacking energy: -60.157 Base-Backbone interact. energy: -0.665 local terms energy: -66.466361 where: bonds (distance) C4'-P energy: -16.567 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -12.193 flat angles P-C4'-P energy: -12.434 tors. eta vs tors. theta energy: -12.075 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: 18 Temperature: 0.900000 Total energy: -196.483670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.483670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.483670 (E_RNA) where: Base-Base interactions energy: -106.337 where: short stacking energy: -106.337 Base-Backbone interact. energy: -0.004 local terms energy: -90.142667 where: bonds (distance) C4'-P energy: -12.830 bonds (distance) P-C4' energy: -19.523 flat angles C4'-P-C4' energy: -22.537 flat angles P-C4'-P energy: -13.203 tors. eta vs tors. theta energy: -22.048 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: 2, replica: 10 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -214.347954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.347954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.347954 (E_RNA) where: Base-Base interactions energy: -112.377 where: short stacking energy: -112.377 Base-Backbone interact. energy: -0.003 local terms energy: -101.967837 where: bonds (distance) C4'-P energy: -18.503 bonds (distance) P-C4' energy: -19.397 flat angles C4'-P-C4' energy: -22.730 flat angles P-C4'-P energy: -13.001 tors. eta vs tors. theta energy: -28.337 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: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -198.066368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.066368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.066368 (E_RNA) where: Base-Base interactions energy: -112.535 where: short stacking energy: -112.535 Base-Backbone interact. energy: -0.002 local terms energy: -85.528976 where: bonds (distance) C4'-P energy: -15.682 bonds (distance) P-C4' energy: -20.750 flat angles C4'-P-C4' energy: -16.104 flat angles P-C4'-P energy: -9.665 tors. eta vs tors. theta energy: -23.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -162.756976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.756976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.756976 (E_RNA) where: Base-Base interactions energy: -79.406 where: short stacking energy: -79.406 Base-Backbone interact. energy: -0.107 local terms energy: -83.243818 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -21.258 flat angles C4'-P-C4' energy: -18.973 flat angles P-C4'-P energy: -13.532 tors. eta vs tors. theta energy: -16.011 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: 5, replica: 4 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -175.793632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.793632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.793632 (E_RNA) where: Base-Base interactions energy: -91.373 where: short stacking energy: -91.373 Base-Backbone interact. energy: -0.009 local terms energy: -84.411098 where: bonds (distance) C4'-P energy: -17.749 bonds (distance) P-C4' energy: -19.262 flat angles C4'-P-C4' energy: -17.756 flat angles P-C4'-P energy: -11.372 tors. eta vs tors. theta energy: -18.271 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: 8 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -161.829331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.829331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.829331 (E_RNA) where: Base-Base interactions energy: -79.466 where: short stacking energy: -79.466 Base-Backbone interact. energy: -0.012 local terms energy: -82.351348 where: bonds (distance) C4'-P energy: -15.132 bonds (distance) P-C4' energy: -20.884 flat angles C4'-P-C4' energy: -19.605 flat angles P-C4'-P energy: -8.961 tors. eta vs tors. theta energy: -17.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -145.776668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.776668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.776668 (E_RNA) where: Base-Base interactions energy: -73.142 where: short stacking energy: -71.393 Base-Backbone interact. energy: -0.021 local terms energy: -72.612985 where: bonds (distance) C4'-P energy: -15.930 bonds (distance) P-C4' energy: -16.567 flat angles C4'-P-C4' energy: -19.934 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -14.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -122.963583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.963583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.963583 (E_RNA) where: Base-Base interactions energy: -51.460 where: short stacking energy: -51.460 Base-Backbone interact. energy: -0.275 local terms energy: -71.228701 where: bonds (distance) C4'-P energy: -19.118 bonds (distance) P-C4' energy: -17.327 flat angles C4'-P-C4' energy: -15.834 flat angles P-C4'-P energy: -6.021 tors. eta vs tors. theta energy: -12.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -118.880801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.880801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.880801 (E_RNA) where: Base-Base interactions energy: -54.400 where: short stacking energy: -54.860 Base-Backbone interact. energy: -0.027 local terms energy: -64.453316 where: bonds (distance) C4'-P energy: -14.643 bonds (distance) P-C4' energy: -21.494 flat angles C4'-P-C4' energy: -17.227 flat angles P-C4'-P energy: -3.179 tors. eta vs tors. theta energy: -7.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -118.178993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.178993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.178993 (E_RNA) where: Base-Base interactions energy: -52.863 where: short stacking energy: -47.566 Base-Backbone interact. energy: 1.289 local terms energy: -66.604350 where: bonds (distance) C4'-P energy: -12.485 bonds (distance) P-C4' energy: -22.148 flat angles C4'-P-C4' energy: -15.941 flat angles P-C4'-P energy: -10.717 tors. eta vs tors. theta energy: -5.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -225.563116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.563116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.563116 (E_RNA) where: Base-Base interactions energy: -125.373 where: short stacking energy: -125.373 Base-Backbone interact. energy: -0.000 local terms energy: -100.189823 where: bonds (distance) C4'-P energy: -17.234 bonds (distance) P-C4' energy: -18.431 flat angles C4'-P-C4' energy: -22.499 flat angles P-C4'-P energy: -15.169 tors. eta vs tors. theta energy: -26.856 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: 10 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -207.761775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.761775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.761775 (E_RNA) where: Base-Base interactions energy: -115.810 where: short stacking energy: -115.810 Base-Backbone interact. energy: -0.029 local terms energy: -91.922181 where: bonds (distance) C4'-P energy: -14.923 bonds (distance) P-C4' energy: -19.594 flat angles C4'-P-C4' energy: -21.635 flat angles P-C4'-P energy: -10.425 tors. eta vs tors. theta energy: -25.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -184.488513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.488513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.488513 (E_RNA) where: Base-Base interactions energy: -99.601 where: short stacking energy: -97.330 Base-Backbone interact. energy: -0.031 local terms energy: -84.856971 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -20.351 flat angles C4'-P-C4' energy: -16.998 flat angles P-C4'-P energy: -13.140 tors. eta vs tors. theta energy: -20.342 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: 4, replica: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -193.348065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.348065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.348065 (E_RNA) where: Base-Base interactions energy: -100.982 where: short stacking energy: -100.982 Base-Backbone interact. energy: -0.004 local terms energy: -92.362269 where: bonds (distance) C4'-P energy: -19.117 bonds (distance) P-C4' energy: -19.840 flat angles C4'-P-C4' energy: -19.596 flat angles P-C4'-P energy: -13.003 tors. eta vs tors. theta energy: -20.805 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: 6 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -183.520715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.520715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.520715 (E_RNA) where: Base-Base interactions energy: -95.447 where: short stacking energy: -95.447 Base-Backbone interact. energy: -0.085 local terms energy: -87.989287 where: bonds (distance) C4'-P energy: -21.006 bonds (distance) P-C4' energy: -19.497 flat angles C4'-P-C4' energy: -18.341 flat angles P-C4'-P energy: -10.146 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: 6, replica: 5 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -149.040287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.040287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.040287 (E_RNA) where: Base-Base interactions energy: -72.186 where: short stacking energy: -70.075 Base-Backbone interact. energy: -0.126 local terms energy: -76.728171 where: bonds (distance) C4'-P energy: -13.591 bonds (distance) P-C4' energy: -16.290 flat angles C4'-P-C4' energy: -20.615 flat angles P-C4'-P energy: -14.104 tors. eta vs tors. theta energy: -12.128 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: 8 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -129.730035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.730035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.730035 (E_RNA) where: Base-Base interactions energy: -65.940 where: short stacking energy: -65.974 Base-Backbone interact. energy: -0.208 local terms energy: -63.581909 where: bonds (distance) C4'-P energy: -15.958 bonds (distance) P-C4' energy: -16.372 flat angles C4'-P-C4' energy: -16.739 flat angles P-C4'-P energy: -6.411 tors. eta vs tors. theta energy: -8.102 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: 9 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -121.824397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.824397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.824397 (E_RNA) where: Base-Base interactions energy: -56.998 where: short stacking energy: -54.698 Base-Backbone interact. energy: -0.607 local terms energy: -64.218812 where: bonds (distance) C4'-P energy: -16.135 bonds (distance) P-C4' energy: -14.891 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -9.471 tors. eta vs tors. theta energy: -10.686 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: 7 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -126.897783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.897783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.897783 (E_RNA) where: Base-Base interactions energy: -67.781 where: short stacking energy: -67.781 Base-Backbone interact. energy: -0.778 local terms energy: -58.338351 where: bonds (distance) C4'-P energy: -11.260 bonds (distance) P-C4' energy: -19.703 flat angles C4'-P-C4' energy: -8.272 flat angles P-C4'-P energy: -10.108 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: 10, replica: 3 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -127.676324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.676324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.676324 (E_RNA) where: Base-Base interactions energy: -60.586 where: short stacking energy: -60.330 Base-Backbone interact. energy: -0.149 local terms energy: -66.940528 where: bonds (distance) C4'-P energy: -14.199 bonds (distance) P-C4' energy: -19.770 flat angles C4'-P-C4' energy: -12.051 flat angles P-C4'-P energy: -13.105 tors. eta vs tors. theta energy: -7.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -230.085618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.085618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.085618 (E_RNA) where: Base-Base interactions energy: -129.312 where: short stacking energy: -129.312 Base-Backbone interact. energy: -0.000 local terms energy: -100.774023 where: bonds (distance) C4'-P energy: -13.802 bonds (distance) P-C4' energy: -21.708 flat angles C4'-P-C4' energy: -19.572 flat angles P-C4'-P energy: -14.996 tors. eta vs tors. theta energy: -30.695 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: 10 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -196.256825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.256825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.256825 (E_RNA) where: Base-Base interactions energy: -103.740 where: short stacking energy: -104.058 Base-Backbone interact. energy: -0.164 local terms energy: -92.352034 where: bonds (distance) C4'-P energy: -14.846 bonds (distance) P-C4' energy: -21.024 flat angles C4'-P-C4' energy: -20.106 flat angles P-C4'-P energy: -12.212 tors. eta vs tors. theta energy: -24.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -190.082939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.082939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.082939 (E_RNA) where: Base-Base interactions energy: -99.466 where: short stacking energy: -99.466 Base-Backbone interact. energy: -0.091 local terms energy: -90.526618 where: bonds (distance) C4'-P energy: -19.303 bonds (distance) P-C4' energy: -16.561 flat angles C4'-P-C4' energy: -19.032 flat angles P-C4'-P energy: -14.353 tors. eta vs tors. theta energy: -21.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -178.764195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.764195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.764195 (E_RNA) where: Base-Base interactions energy: -92.437 where: short stacking energy: -92.437 Base-Backbone interact. energy: -0.254 local terms energy: -86.073053 where: bonds (distance) C4'-P energy: -17.366 bonds (distance) P-C4' energy: -21.849 flat angles C4'-P-C4' energy: -14.359 flat angles P-C4'-P energy: -12.875 tors. eta vs tors. theta energy: -19.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -163.899953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.899953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.899953 (E_RNA) where: Base-Base interactions energy: -81.623 where: short stacking energy: -79.992 Base-Backbone interact. energy: -0.515 local terms energy: -81.762223 where: bonds (distance) C4'-P energy: -19.827 bonds (distance) P-C4' energy: -14.458 flat angles C4'-P-C4' energy: -22.172 flat angles P-C4'-P energy: -11.108 tors. eta vs tors. theta energy: -14.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -148.038596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.038596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.038596 (E_RNA) where: Base-Base interactions energy: -75.781 where: short stacking energy: -75.202 Base-Backbone interact. energy: 1.234 local terms energy: -73.491544 where: bonds (distance) C4'-P energy: -16.688 bonds (distance) P-C4' energy: -17.672 flat angles C4'-P-C4' energy: -14.095 flat angles P-C4'-P energy: -11.910 tors. eta vs tors. theta energy: -13.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -166.880538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.880538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.880538 (E_RNA) where: Base-Base interactions energy: -84.868 where: short stacking energy: -84.868 Base-Backbone interact. energy: -0.095 local terms energy: -81.917759 where: bonds (distance) C4'-P energy: -14.237 bonds (distance) P-C4' energy: -20.233 flat angles C4'-P-C4' energy: -19.559 flat angles P-C4'-P energy: -12.561 tors. eta vs tors. theta energy: -15.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -146.192135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.192135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.192135 (E_RNA) where: Base-Base interactions energy: -71.616 where: short stacking energy: -73.016 Base-Backbone interact. energy: -0.254 local terms energy: -74.322331 where: bonds (distance) C4'-P energy: -17.107 bonds (distance) P-C4' energy: -14.518 flat angles C4'-P-C4' energy: -18.475 flat angles P-C4'-P energy: -14.863 tors. eta vs tors. theta energy: -9.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -133.381468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.381468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.381468 (E_RNA) where: Base-Base interactions energy: -63.938 where: short stacking energy: -63.938 Base-Backbone interact. energy: 0.555 local terms energy: -69.998637 where: bonds (distance) C4'-P energy: -17.633 bonds (distance) P-C4' energy: -20.130 flat angles C4'-P-C4' energy: -11.271 flat angles P-C4'-P energy: -9.779 tors. eta vs tors. theta energy: -11.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -100.132561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.132561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.132561 (E_RNA) where: Base-Base interactions energy: -35.194 where: short stacking energy: -35.194 Base-Backbone interact. energy: -0.619 local terms energy: -64.319121 where: bonds (distance) C4'-P energy: -13.224 bonds (distance) P-C4' energy: -18.537 flat angles C4'-P-C4' energy: -19.346 flat angles P-C4'-P energy: -13.902 tors. eta vs tors. theta energy: 0.690 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: 1, replica: 1 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -221.595226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.595226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.595226 (E_RNA) where: Base-Base interactions energy: -116.653 where: short stacking energy: -116.653 Base-Backbone interact. energy: -0.001 local terms energy: -104.941742 where: bonds (distance) C4'-P energy: -21.241 bonds (distance) P-C4' energy: -20.169 flat angles C4'-P-C4' energy: -20.679 flat angles P-C4'-P energy: -14.923 tors. eta vs tors. theta energy: -27.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -197.929256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.929256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.929256 (E_RNA) where: Base-Base interactions energy: -105.680 where: short stacking energy: -105.680 Base-Backbone interact. energy: -0.000 local terms energy: -92.248831 where: bonds (distance) C4'-P energy: -19.138 bonds (distance) P-C4' energy: -17.094 flat angles C4'-P-C4' energy: -21.643 flat angles P-C4'-P energy: -13.637 tors. eta vs tors. theta energy: -20.737 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: 3, replica: 10 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -167.713790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.713790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.713790 (E_RNA) where: Base-Base interactions energy: -88.178 where: short stacking energy: -88.178 Base-Backbone interact. energy: -0.057 local terms energy: -79.478517 where: bonds (distance) C4'-P energy: -15.765 bonds (distance) P-C4' energy: -19.065 flat angles C4'-P-C4' energy: -15.769 flat angles P-C4'-P energy: -10.862 tors. eta vs tors. theta energy: -18.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -144.532349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.532349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.532349 (E_RNA) where: Base-Base interactions energy: -68.319 where: short stacking energy: -68.319 Base-Backbone interact. energy: -0.262 local terms energy: -75.950672 where: bonds (distance) C4'-P energy: -14.352 bonds (distance) P-C4' energy: -19.384 flat angles C4'-P-C4' energy: -18.007 flat angles P-C4'-P energy: -12.988 tors. eta vs tors. theta energy: -11.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -162.957843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.957843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.957843 (E_RNA) where: Base-Base interactions energy: -86.645 where: short stacking energy: -86.645 Base-Backbone interact. energy: -0.012 local terms energy: -76.300271 where: bonds (distance) C4'-P energy: -19.536 bonds (distance) P-C4' energy: -14.926 flat angles C4'-P-C4' energy: -18.515 flat angles P-C4'-P energy: -7.497 tors. eta vs tors. theta energy: -15.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -137.255874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.255874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.255874 (E_RNA) where: Base-Base interactions energy: -65.322 where: short stacking energy: -65.322 Base-Backbone interact. energy: 0.156 local terms energy: -72.089770 where: bonds (distance) C4'-P energy: -19.963 bonds (distance) P-C4' energy: -16.838 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -10.481 tors. eta vs tors. theta energy: -11.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -150.896019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.896019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.896019 (E_RNA) where: Base-Base interactions energy: -78.121 where: short stacking energy: -78.121 Base-Backbone interact. energy: 0.042 local terms energy: -72.817330 where: bonds (distance) C4'-P energy: -15.164 bonds (distance) P-C4' energy: -12.608 flat angles C4'-P-C4' energy: -20.090 flat angles P-C4'-P energy: -9.562 tors. eta vs tors. theta energy: -15.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -118.708109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.708109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.708109 (E_RNA) where: Base-Base interactions energy: -59.525 where: short stacking energy: -59.525 Base-Backbone interact. energy: -0.029 local terms energy: -59.154057 where: bonds (distance) C4'-P energy: -12.834 bonds (distance) P-C4' energy: -18.218 flat angles C4'-P-C4' energy: -13.825 flat angles P-C4'-P energy: -2.271 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: 9, replica: 3 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -116.620360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.620360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.620360 (E_RNA) where: Base-Base interactions energy: -48.578 where: short stacking energy: -48.578 Base-Backbone interact. energy: 2.089 local terms energy: -70.131682 where: bonds (distance) C4'-P energy: -17.586 bonds (distance) P-C4' energy: -19.678 flat angles C4'-P-C4' energy: -16.045 flat angles P-C4'-P energy: -11.846 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: 10, replica: 7 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -103.491594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.491594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.491594 (E_RNA) where: Base-Base interactions energy: -45.049 where: short stacking energy: -44.955 Base-Backbone interact. energy: -0.067 local terms energy: -58.375341 where: bonds (distance) C4'-P energy: -10.862 bonds (distance) P-C4' energy: -16.342 flat angles C4'-P-C4' energy: -15.034 flat angles P-C4'-P energy: -9.982 tors. eta vs tors. theta energy: -6.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -211.661301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.661301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.661301 (E_RNA) where: Base-Base interactions energy: -115.115 where: short stacking energy: -115.115 Base-Backbone interact. energy: -0.000 local terms energy: -96.545750 where: bonds (distance) C4'-P energy: -16.219 bonds (distance) P-C4' energy: -19.164 flat angles C4'-P-C4' energy: -21.351 flat angles P-C4'-P energy: -13.803 tors. eta vs tors. theta energy: -26.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -207.832508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.832508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.832508 (E_RNA) where: Base-Base interactions energy: -114.313 where: short stacking energy: -114.313 Base-Backbone interact. energy: -0.004 local terms energy: -93.515579 where: bonds (distance) C4'-P energy: -18.438 bonds (distance) P-C4' energy: -18.181 flat angles C4'-P-C4' energy: -19.250 flat angles P-C4'-P energy: -11.860 tors. eta vs tors. theta energy: -25.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -156.367638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.367638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.367638 (E_RNA) where: Base-Base interactions energy: -79.904 where: short stacking energy: -79.904 Base-Backbone interact. energy: -0.006 local terms energy: -76.457370 where: bonds (distance) C4'-P energy: -16.497 bonds (distance) P-C4' energy: -21.102 flat angles C4'-P-C4' energy: -17.740 flat angles P-C4'-P energy: -9.972 tors. eta vs tors. theta energy: -11.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -178.988269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.988269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.988269 (E_RNA) where: Base-Base interactions energy: -93.087 where: short stacking energy: -93.087 Base-Backbone interact. energy: 0.578 local terms energy: -86.479247 where: bonds (distance) C4'-P energy: -15.970 bonds (distance) P-C4' energy: -19.163 flat angles C4'-P-C4' energy: -21.148 flat angles P-C4'-P energy: -14.012 tors. eta vs tors. theta energy: -16.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -152.445854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.445854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.445854 (E_RNA) where: Base-Base interactions energy: -73.287 where: short stacking energy: -73.287 Base-Backbone interact. energy: -0.056 local terms energy: -79.102270 where: bonds (distance) C4'-P energy: -18.411 bonds (distance) P-C4' energy: -16.015 flat angles C4'-P-C4' energy: -18.843 flat angles P-C4'-P energy: -10.174 tors. eta vs tors. theta energy: -15.659 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: 4 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -142.314509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.314509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.314509 (E_RNA) where: Base-Base interactions energy: -66.106 where: short stacking energy: -66.106 Base-Backbone interact. energy: 0.190 local terms energy: -76.398165 where: bonds (distance) C4'-P energy: -14.084 bonds (distance) P-C4' energy: -21.736 flat angles C4'-P-C4' energy: -16.534 flat angles P-C4'-P energy: -12.126 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: 7, replica: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -131.515987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.515987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.515987 (E_RNA) where: Base-Base interactions energy: -69.630 where: short stacking energy: -69.503 Base-Backbone interact. energy: -0.277 local terms energy: -61.608625 where: bonds (distance) C4'-P energy: -17.644 bonds (distance) P-C4' energy: -17.776 flat angles C4'-P-C4' energy: -9.620 flat angles P-C4'-P energy: -11.428 tors. eta vs tors. theta energy: -5.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -124.822063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.822063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.822063 (E_RNA) where: Base-Base interactions energy: -60.333 where: short stacking energy: -59.498 Base-Backbone interact. energy: -0.659 local terms energy: -63.829732 where: bonds (distance) C4'-P energy: -10.362 bonds (distance) P-C4' energy: -20.698 flat angles C4'-P-C4' energy: -13.251 flat angles P-C4'-P energy: -10.228 tors. eta vs tors. theta energy: -9.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -128.545285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.545285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.545285 (E_RNA) where: Base-Base interactions energy: -61.074 where: short stacking energy: -61.074 Base-Backbone interact. energy: 0.381 local terms energy: -67.851901 where: bonds (distance) C4'-P energy: -13.728 bonds (distance) P-C4' energy: -15.404 flat angles C4'-P-C4' energy: -17.459 flat angles P-C4'-P energy: -13.838 tors. eta vs tors. theta energy: -7.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -126.823419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.823419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.823419 (E_RNA) where: Base-Base interactions energy: -57.645 where: short stacking energy: -55.988 Base-Backbone interact. energy: -0.636 local terms energy: -68.541787 where: bonds (distance) C4'-P energy: -10.691 bonds (distance) P-C4' energy: -21.068 flat angles C4'-P-C4' energy: -15.973 flat angles P-C4'-P energy: -8.985 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: 1, replica: 2 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -220.629181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.629181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.629181 (E_RNA) where: Base-Base interactions energy: -123.279 where: short stacking energy: -123.279 Base-Backbone interact. energy: -0.000 local terms energy: -97.350342 where: bonds (distance) C4'-P energy: -17.043 bonds (distance) P-C4' energy: -16.600 flat angles C4'-P-C4' energy: -21.245 flat angles P-C4'-P energy: -13.056 tors. eta vs tors. theta energy: -29.406 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: 1 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -202.229353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.229353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.229353 (E_RNA) where: Base-Base interactions energy: -105.112 where: short stacking energy: -105.112 Base-Backbone interact. energy: -0.124 local terms energy: -96.993457 where: bonds (distance) C4'-P energy: -18.779 bonds (distance) P-C4' energy: -18.609 flat angles C4'-P-C4' energy: -20.735 flat angles P-C4'-P energy: -14.822 tors. eta vs tors. theta energy: -24.048 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: 3, replica: 5 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -185.962750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.962750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.962750 (E_RNA) where: Base-Base interactions energy: -94.382 where: short stacking energy: -94.382 Base-Backbone interact. energy: -0.020 local terms energy: -91.560666 where: bonds (distance) C4'-P energy: -18.563 bonds (distance) P-C4' energy: -20.989 flat angles C4'-P-C4' energy: -19.249 flat angles P-C4'-P energy: -10.792 tors. eta vs tors. theta energy: -21.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -181.901858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.901858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.901858 (E_RNA) where: Base-Base interactions energy: -96.315 where: short stacking energy: -96.315 Base-Backbone interact. energy: -0.194 local terms energy: -85.392332 where: bonds (distance) C4'-P energy: -20.298 bonds (distance) P-C4' energy: -16.541 flat angles C4'-P-C4' energy: -14.659 flat angles P-C4'-P energy: -12.047 tors. eta vs tors. theta energy: -21.847 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: 5, replica: 10 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -173.949140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.949140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.949140 (E_RNA) where: Base-Base interactions energy: -98.729 where: short stacking energy: -98.729 Base-Backbone interact. energy: 3.830 local terms energy: -79.049959 where: bonds (distance) C4'-P energy: -12.461 bonds (distance) P-C4' energy: -15.221 flat angles C4'-P-C4' energy: -16.921 flat angles P-C4'-P energy: -16.851 tors. eta vs tors. theta energy: -17.595 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: 23 Temperature: 1.150000 Total energy: -161.374172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.374172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.374172 (E_RNA) where: Base-Base interactions energy: -79.896 where: short stacking energy: -79.896 Base-Backbone interact. energy: -0.046 local terms energy: -81.432604 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -16.983 flat angles C4'-P-C4' energy: -18.478 flat angles P-C4'-P energy: -15.259 tors. eta vs tors. theta energy: -17.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -140.016511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.016511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.016511 (E_RNA) where: Base-Base interactions energy: -64.280 where: short stacking energy: -64.280 Base-Backbone interact. energy: -0.139 local terms energy: -75.597683 where: bonds (distance) C4'-P energy: -17.068 bonds (distance) P-C4' energy: -10.954 flat angles C4'-P-C4' energy: -20.529 flat angles P-C4'-P energy: -13.290 tors. eta vs tors. theta energy: -13.757 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: 8, replica: 7 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -132.396083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.396083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.396083 (E_RNA) where: Base-Base interactions energy: -67.059 where: short stacking energy: -67.059 Base-Backbone interact. energy: -1.127 local terms energy: -64.210028 where: bonds (distance) C4'-P energy: -15.760 bonds (distance) P-C4' energy: -11.306 flat angles C4'-P-C4' energy: -15.956 flat angles P-C4'-P energy: -7.094 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: 9, replica: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -116.015114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.015114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.015114 (E_RNA) where: Base-Base interactions energy: -53.162 where: short stacking energy: -53.162 Base-Backbone interact. energy: -0.069 local terms energy: -62.783461 where: bonds (distance) C4'-P energy: -18.887 bonds (distance) P-C4' energy: -14.632 flat angles C4'-P-C4' energy: -16.566 flat angles P-C4'-P energy: -9.532 tors. eta vs tors. theta energy: -3.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -123.362081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.362081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.362081 (E_RNA) where: Base-Base interactions energy: -60.630 where: short stacking energy: -58.791 Base-Backbone interact. energy: -0.138 local terms energy: -62.593858 where: bonds (distance) C4'-P energy: -12.926 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -17.268 flat angles P-C4'-P energy: -10.987 tors. eta vs tors. theta energy: -8.378 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: 1 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -197.881729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.881729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.881729 (E_RNA) where: Base-Base interactions energy: -105.510 where: short stacking energy: -105.510 Base-Backbone interact. energy: -0.000 local terms energy: -92.371084 where: bonds (distance) C4'-P energy: -16.942 bonds (distance) P-C4' energy: -17.471 flat angles C4'-P-C4' energy: -19.013 flat angles P-C4'-P energy: -14.671 tors. eta vs tors. theta energy: -24.274 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: 2 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -202.819978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.819978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.819978 (E_RNA) where: Base-Base interactions energy: -110.941 where: short stacking energy: -110.747 Base-Backbone interact. energy: -0.000 local terms energy: -91.878835 where: bonds (distance) C4'-P energy: -18.906 bonds (distance) P-C4' energy: -21.021 flat angles C4'-P-C4' energy: -19.698 flat angles P-C4'-P energy: -8.760 tors. eta vs tors. theta energy: -23.493 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: 8 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -189.120895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.120895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.120895 (E_RNA) where: Base-Base interactions energy: -109.467 where: short stacking energy: -109.467 Base-Backbone interact. energy: -0.150 local terms energy: -79.504408 where: bonds (distance) C4'-P energy: -14.836 bonds (distance) P-C4' energy: -18.240 flat angles C4'-P-C4' energy: -15.078 flat angles P-C4'-P energy: -9.860 tors. eta vs tors. theta energy: -21.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -186.717323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.717323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.717323 (E_RNA) where: Base-Base interactions energy: -105.792 where: short stacking energy: -105.792 Base-Backbone interact. energy: -0.013 local terms energy: -80.912247 where: bonds (distance) C4'-P energy: -12.568 bonds (distance) P-C4' energy: -16.205 flat angles C4'-P-C4' energy: -17.999 flat angles P-C4'-P energy: -12.227 tors. eta vs tors. theta energy: -21.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -163.491440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.491440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.491440 (E_RNA) where: Base-Base interactions energy: -89.455 where: short stacking energy: -89.455 Base-Backbone interact. energy: -0.092 local terms energy: -73.944454 where: bonds (distance) C4'-P energy: -9.349 bonds (distance) P-C4' energy: -16.054 flat angles C4'-P-C4' energy: -20.134 flat angles P-C4'-P energy: -11.632 tors. eta vs tors. theta energy: -16.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -135.052006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.052006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.052006 (E_RNA) where: Base-Base interactions energy: -68.937 where: short stacking energy: -64.474 Base-Backbone interact. energy: -0.279 local terms energy: -65.836294 where: bonds (distance) C4'-P energy: -14.182 bonds (distance) P-C4' energy: -15.746 flat angles C4'-P-C4' energy: -19.389 flat angles P-C4'-P energy: -7.596 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: 7, replica: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -133.519767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.519767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.519767 (E_RNA) where: Base-Base interactions energy: -62.810 where: short stacking energy: -62.810 Base-Backbone interact. energy: -0.113 local terms energy: -70.597129 where: bonds (distance) C4'-P energy: -14.386 bonds (distance) P-C4' energy: -16.807 flat angles C4'-P-C4' energy: -18.319 flat angles P-C4'-P energy: -11.491 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: 4 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -137.327257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.327257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.327257 (E_RNA) where: Base-Base interactions energy: -70.305 where: short stacking energy: -70.305 Base-Backbone interact. energy: -0.172 local terms energy: -66.850157 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -15.461 flat angles P-C4'-P energy: -9.160 tors. eta vs tors. theta energy: -14.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -110.347240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.347240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.347240 (E_RNA) where: Base-Base interactions energy: -54.064 where: short stacking energy: -54.064 Base-Backbone interact. energy: 0.347 local terms energy: -56.630256 where: bonds (distance) C4'-P energy: -19.276 bonds (distance) P-C4' energy: -15.322 flat angles C4'-P-C4' energy: -15.640 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: -0.071 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: 3 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -108.054023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.054023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.054023 (E_RNA) where: Base-Base interactions energy: -51.188 where: short stacking energy: -48.514 Base-Backbone interact. energy: -0.236 local terms energy: -56.629815 where: bonds (distance) C4'-P energy: -11.886 bonds (distance) P-C4' energy: -17.132 flat angles C4'-P-C4' energy: -12.723 flat angles P-C4'-P energy: -7.889 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: 1, replica: 1 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -195.225851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.225851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.225851 (E_RNA) where: Base-Base interactions energy: -104.430 where: short stacking energy: -104.430 Base-Backbone interact. energy: -0.166 local terms energy: -90.629601 where: bonds (distance) C4'-P energy: -17.139 bonds (distance) P-C4' energy: -18.305 flat angles C4'-P-C4' energy: -20.223 flat angles P-C4'-P energy: -11.758 tors. eta vs tors. theta energy: -23.206 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: 25 Temperature: 0.950000 Total energy: -193.067882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.067882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.067882 (E_RNA) where: Base-Base interactions energy: -105.314 where: short stacking energy: -105.314 Base-Backbone interact. energy: -0.002 local terms energy: -87.751882 where: bonds (distance) C4'-P energy: -19.042 bonds (distance) P-C4' energy: -21.096 flat angles C4'-P-C4' energy: -18.898 flat angles P-C4'-P energy: -6.078 tors. eta vs tors. theta energy: -22.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -199.851139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.851139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.851139 (E_RNA) where: Base-Base interactions energy: -107.660 where: short stacking energy: -107.660 Base-Backbone interact. energy: -0.000 local terms energy: -92.191248 where: bonds (distance) C4'-P energy: -14.924 bonds (distance) P-C4' energy: -18.623 flat angles C4'-P-C4' energy: -21.080 flat angles P-C4'-P energy: -10.526 tors. eta vs tors. theta energy: -27.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -163.189298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.189298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.189298 (E_RNA) where: Base-Base interactions energy: -80.699 where: short stacking energy: -80.699 Base-Backbone interact. energy: -0.613 local terms energy: -81.877535 where: bonds (distance) C4'-P energy: -12.530 bonds (distance) P-C4' energy: -21.955 flat angles C4'-P-C4' energy: -19.566 flat angles P-C4'-P energy: -13.663 tors. eta vs tors. theta energy: -14.163 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: 25 Temperature: 1.100000 Total energy: -168.983511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.983511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.983511 (E_RNA) where: Base-Base interactions energy: -93.021 where: short stacking energy: -93.021 Base-Backbone interact. energy: -0.112 local terms energy: -75.850245 where: bonds (distance) C4'-P energy: -16.362 bonds (distance) P-C4' energy: -16.259 flat angles C4'-P-C4' energy: -19.628 flat angles P-C4'-P energy: -5.272 tors. eta vs tors. theta energy: -18.330 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: 6, replica: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -152.693830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.693830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.693830 (E_RNA) where: Base-Base interactions energy: -77.764 where: short stacking energy: -75.897 Base-Backbone interact. energy: -0.112 local terms energy: -74.817431 where: bonds (distance) C4'-P energy: -17.645 bonds (distance) P-C4' energy: -12.951 flat angles C4'-P-C4' energy: -18.959 flat angles P-C4'-P energy: -12.295 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: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -133.569274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.569274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.569274 (E_RNA) where: Base-Base interactions energy: -63.329 where: short stacking energy: -63.329 Base-Backbone interact. energy: 0.200 local terms energy: -70.440061 where: bonds (distance) C4'-P energy: -15.772 bonds (distance) P-C4' energy: -18.732 flat angles C4'-P-C4' energy: -15.979 flat angles P-C4'-P energy: -11.514 tors. eta vs tors. theta energy: -8.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -136.908323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.908323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.908323 (E_RNA) where: Base-Base interactions energy: -66.402 where: short stacking energy: -66.402 Base-Backbone interact. energy: 0.203 local terms energy: -70.708826 where: bonds (distance) C4'-P energy: -15.640 bonds (distance) P-C4' energy: -19.019 flat angles C4'-P-C4' energy: -13.735 flat angles P-C4'-P energy: -8.954 tors. eta vs tors. theta energy: -13.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -116.717016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.717016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.717016 (E_RNA) where: Base-Base interactions energy: -63.886 where: short stacking energy: -63.886 Base-Backbone interact. energy: -0.170 local terms energy: -52.660713 where: bonds (distance) C4'-P energy: -6.981 bonds (distance) P-C4' energy: -18.742 flat angles C4'-P-C4' energy: -11.033 flat angles P-C4'-P energy: -3.534 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: 10, replica: 3 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -111.460145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.460145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.460145 (E_RNA) where: Base-Base interactions energy: -50.836 where: short stacking energy: -50.836 Base-Backbone interact. energy: -0.021 local terms energy: -60.603614 where: bonds (distance) C4'-P energy: -15.764 bonds (distance) P-C4' energy: -19.247 flat angles C4'-P-C4' energy: -15.589 flat angles P-C4'-P energy: -6.508 tors. eta vs tors. theta energy: -3.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -205.531830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.531830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.531830 (E_RNA) where: Base-Base interactions energy: -114.524 where: short stacking energy: -114.524 Base-Backbone interact. energy: -0.001 local terms energy: -91.006545 where: bonds (distance) C4'-P energy: -20.491 bonds (distance) P-C4' energy: -19.026 flat angles C4'-P-C4' energy: -16.336 flat angles P-C4'-P energy: -11.273 tors. eta vs tors. theta energy: -23.879 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: 1 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -196.306014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.306014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.306014 (E_RNA) where: Base-Base interactions energy: -101.118 where: short stacking energy: -101.118 Base-Backbone interact. energy: -0.000 local terms energy: -95.187408 where: bonds (distance) C4'-P energy: -19.366 bonds (distance) P-C4' energy: -20.240 flat angles C4'-P-C4' energy: -20.644 flat angles P-C4'-P energy: -11.575 tors. eta vs tors. theta energy: -23.362 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: 3, replica: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -192.680358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.680358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.680358 (E_RNA) where: Base-Base interactions energy: -107.977 where: short stacking energy: -107.977 Base-Backbone interact. energy: -0.005 local terms energy: -84.698484 where: bonds (distance) C4'-P energy: -11.944 bonds (distance) P-C4' energy: -19.833 flat angles C4'-P-C4' energy: -15.114 flat angles P-C4'-P energy: -13.857 tors. eta vs tors. theta energy: -23.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -177.516785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.516785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.516785 (E_RNA) where: Base-Base interactions energy: -89.921 where: short stacking energy: -89.921 Base-Backbone interact. energy: -0.033 local terms energy: -87.562919 where: bonds (distance) C4'-P energy: -19.162 bonds (distance) P-C4' energy: -14.958 flat angles C4'-P-C4' energy: -19.376 flat angles P-C4'-P energy: -13.397 tors. eta vs tors. theta energy: -20.669 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: 7 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -151.692361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.692361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.692361 (E_RNA) where: Base-Base interactions energy: -82.254 where: short stacking energy: -82.254 Base-Backbone interact. energy: -0.143 local terms energy: -69.295126 where: bonds (distance) C4'-P energy: -12.429 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -16.750 flat angles P-C4'-P energy: -14.406 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: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -153.433517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.433517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.433517 (E_RNA) where: Base-Base interactions energy: -77.082 where: short stacking energy: -76.547 Base-Backbone interact. energy: -0.580 local terms energy: -75.771499 where: bonds (distance) C4'-P energy: -17.452 bonds (distance) P-C4' energy: -13.118 flat angles C4'-P-C4' energy: -17.984 flat angles P-C4'-P energy: -11.521 tors. eta vs tors. theta energy: -15.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -155.747032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.747032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.747032 (E_RNA) where: Base-Base interactions energy: -77.569 where: short stacking energy: -77.569 Base-Backbone interact. energy: 0.442 local terms energy: -78.619686 where: bonds (distance) C4'-P energy: -10.213 bonds (distance) P-C4' energy: -18.062 flat angles C4'-P-C4' energy: -18.281 flat angles P-C4'-P energy: -14.454 tors. eta vs tors. theta energy: -17.611 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: 6 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -125.537483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.537483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.537483 (E_RNA) where: Base-Base interactions energy: -62.310 where: short stacking energy: -62.310 Base-Backbone interact. energy: -0.153 local terms energy: -63.074063 where: bonds (distance) C4'-P energy: -15.085 bonds (distance) P-C4' energy: -20.476 flat angles C4'-P-C4' energy: -10.931 flat angles P-C4'-P energy: -8.738 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: 9, replica: 3 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -136.799390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.799390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.799390 (E_RNA) where: Base-Base interactions energy: -67.977 where: short stacking energy: -67.977 Base-Backbone interact. energy: -0.065 local terms energy: -68.758100 where: bonds (distance) C4'-P energy: -14.059 bonds (distance) P-C4' energy: -19.386 flat angles C4'-P-C4' energy: -16.964 flat angles P-C4'-P energy: -11.750 tors. eta vs tors. theta energy: -6.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -125.866732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.866732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.866732 (E_RNA) where: Base-Base interactions energy: -58.143 where: short stacking energy: -58.143 Base-Backbone interact. energy: -0.008 local terms energy: -67.714995 where: bonds (distance) C4'-P energy: -13.350 bonds (distance) P-C4' energy: -20.065 flat angles C4'-P-C4' energy: -10.346 flat angles P-C4'-P energy: -11.009 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: 1, replica: 8 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -201.808112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.808112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.808112 (E_RNA) where: Base-Base interactions energy: -107.476 where: short stacking energy: -107.476 Base-Backbone interact. energy: -0.146 local terms energy: -94.185333 where: bonds (distance) C4'-P energy: -19.238 bonds (distance) P-C4' energy: -19.947 flat angles C4'-P-C4' energy: -18.010 flat angles P-C4'-P energy: -14.210 tors. eta vs tors. theta energy: -22.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -209.420680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.420680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.420680 (E_RNA) where: Base-Base interactions energy: -111.464 where: short stacking energy: -111.464 Base-Backbone interact. energy: -0.001 local terms energy: -97.956526 where: bonds (distance) C4'-P energy: -20.239 bonds (distance) P-C4' energy: -19.551 flat angles C4'-P-C4' energy: -19.764 flat angles P-C4'-P energy: -10.386 tors. eta vs tors. theta energy: -28.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -188.563734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.563734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.563734 (E_RNA) where: Base-Base interactions energy: -99.243 where: short stacking energy: -98.783 Base-Backbone interact. energy: -1.044 local terms energy: -88.277261 where: bonds (distance) C4'-P energy: -16.999 bonds (distance) P-C4' energy: -18.805 flat angles C4'-P-C4' energy: -17.335 flat angles P-C4'-P energy: -12.638 tors. eta vs tors. theta energy: -22.501 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: 4, replica: 7 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -161.685423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.685423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.685423 (E_RNA) where: Base-Base interactions energy: -90.321 where: short stacking energy: -90.321 Base-Backbone interact. energy: -0.057 local terms energy: -71.307330 where: bonds (distance) C4'-P energy: -11.815 bonds (distance) P-C4' energy: -16.430 flat angles C4'-P-C4' energy: -16.918 flat angles P-C4'-P energy: -9.248 tors. eta vs tors. theta energy: -16.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -159.801562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.801562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.801562 (E_RNA) where: Base-Base interactions energy: -84.279 where: short stacking energy: -84.279 Base-Backbone interact. energy: -0.055 local terms energy: -75.467460 where: bonds (distance) C4'-P energy: -16.063 bonds (distance) P-C4' energy: -18.646 flat angles C4'-P-C4' energy: -17.818 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -18.604 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: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -161.023554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.023554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.023554 (E_RNA) where: Base-Base interactions energy: -85.218 where: short stacking energy: -85.218 Base-Backbone interact. energy: -0.055 local terms energy: -75.751243 where: bonds (distance) C4'-P energy: -19.057 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -15.754 flat angles P-C4'-P energy: -11.592 tors. eta vs tors. theta energy: -16.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -159.855963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.855963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.855963 (E_RNA) where: Base-Base interactions energy: -79.906 where: short stacking energy: -79.526 Base-Backbone interact. energy: -0.041 local terms energy: -79.909720 where: bonds (distance) C4'-P energy: -15.109 bonds (distance) P-C4' energy: -16.771 flat angles C4'-P-C4' energy: -16.703 flat angles P-C4'-P energy: -11.973 tors. eta vs tors. theta energy: -19.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -127.569900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.569900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.569900 (E_RNA) where: Base-Base interactions energy: -62.003 where: short stacking energy: -62.003 Base-Backbone interact. energy: 2.072 local terms energy: -67.638336 where: bonds (distance) C4'-P energy: -12.449 bonds (distance) P-C4' energy: -16.910 flat angles C4'-P-C4' energy: -13.144 flat angles P-C4'-P energy: -12.878 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: 9, replica: 6 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -132.661687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.661687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.661687 (E_RNA) where: Base-Base interactions energy: -66.391 where: short stacking energy: -66.391 Base-Backbone interact. energy: -1.405 local terms energy: -64.865524 where: bonds (distance) C4'-P energy: -16.269 bonds (distance) P-C4' energy: -16.438 flat angles C4'-P-C4' energy: -11.479 flat angles P-C4'-P energy: -8.652 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: 10, replica: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -102.131988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.131988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.131988 (E_RNA) where: Base-Base interactions energy: -46.577 where: short stacking energy: -47.209 Base-Backbone interact. energy: -0.544 local terms energy: -55.010533 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -13.756 flat angles C4'-P-C4' energy: -16.343 flat angles P-C4'-P energy: -6.705 tors. eta vs tors. theta energy: -4.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -221.216085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.216085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.216085 (E_RNA) where: Base-Base interactions energy: -116.478 where: short stacking energy: -116.478 Base-Backbone interact. energy: -0.000 local terms energy: -104.737949 where: bonds (distance) C4'-P energy: -21.688 bonds (distance) P-C4' energy: -20.862 flat angles C4'-P-C4' energy: -19.530 flat angles P-C4'-P energy: -13.396 tors. eta vs tors. theta energy: -29.261 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: 8 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -176.171463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.171463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.171463 (E_RNA) where: Base-Base interactions energy: -83.841 where: short stacking energy: -83.841 Base-Backbone interact. energy: -0.963 local terms energy: -91.367504 where: bonds (distance) C4'-P energy: -17.345 bonds (distance) P-C4' energy: -21.955 flat angles C4'-P-C4' energy: -20.941 flat angles P-C4'-P energy: -14.192 tors. eta vs tors. theta energy: -16.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -189.218087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.218087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.218087 (E_RNA) where: Base-Base interactions energy: -97.041 where: short stacking energy: -97.041 Base-Backbone interact. energy: -0.000 local terms energy: -92.176284 where: bonds (distance) C4'-P energy: -17.131 bonds (distance) P-C4' energy: -22.645 flat angles C4'-P-C4' energy: -18.925 flat angles P-C4'-P energy: -9.758 tors. eta vs tors. theta energy: -23.717 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: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -180.032797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.032797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.032797 (E_RNA) where: Base-Base interactions energy: -92.137 where: short stacking energy: -92.137 Base-Backbone interact. energy: -0.021 local terms energy: -87.875548 where: bonds (distance) C4'-P energy: -18.178 bonds (distance) P-C4' energy: -22.620 flat angles C4'-P-C4' energy: -18.958 flat angles P-C4'-P energy: -9.910 tors. eta vs tors. theta energy: -18.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -140.151278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.151278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.151278 (E_RNA) where: Base-Base interactions energy: -61.853 where: short stacking energy: -61.853 Base-Backbone interact. energy: -0.195 local terms energy: -78.103569 where: bonds (distance) C4'-P energy: -18.974 bonds (distance) P-C4' energy: -19.914 flat angles C4'-P-C4' energy: -17.026 flat angles P-C4'-P energy: -13.756 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: 6, replica: 10 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -158.416029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.416029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.416029 (E_RNA) where: Base-Base interactions energy: -83.063 where: short stacking energy: -72.026 Base-Backbone interact. energy: -0.331 local terms energy: -75.022011 where: bonds (distance) C4'-P energy: -19.590 bonds (distance) P-C4' energy: -12.315 flat angles C4'-P-C4' energy: -15.297 flat angles P-C4'-P energy: -17.546 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: 7, replica: 4 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -147.698671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.698671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.698671 (E_RNA) where: Base-Base interactions energy: -75.052 where: short stacking energy: -75.052 Base-Backbone interact. energy: -0.038 local terms energy: -72.608250 where: bonds (distance) C4'-P energy: -15.363 bonds (distance) P-C4' energy: -19.105 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -8.602 tors. eta vs tors. theta energy: -13.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -133.589381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.589381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.589381 (E_RNA) where: Base-Base interactions energy: -63.393 where: short stacking energy: -63.393 Base-Backbone interact. energy: 1.651 local terms energy: -71.847259 where: bonds (distance) C4'-P energy: -16.141 bonds (distance) P-C4' energy: -19.881 flat angles C4'-P-C4' energy: -13.705 flat angles P-C4'-P energy: -13.069 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: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -125.323833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.323833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.323833 (E_RNA) where: Base-Base interactions energy: -65.401 where: short stacking energy: -61.355 Base-Backbone interact. energy: -0.429 local terms energy: -59.493246 where: bonds (distance) C4'-P energy: -13.665 bonds (distance) P-C4' energy: -18.819 flat angles C4'-P-C4' energy: -11.137 flat angles P-C4'-P energy: -11.352 tors. eta vs tors. theta energy: -4.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -120.974298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.974298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.974298 (E_RNA) where: Base-Base interactions energy: -56.918 where: short stacking energy: -56.918 Base-Backbone interact. energy: -0.120 local terms energy: -63.936442 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -20.145 flat angles C4'-P-C4' energy: -15.508 flat angles P-C4'-P energy: -9.574 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: 1, replica: 2 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -217.825799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.825799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.825799 (E_RNA) where: Base-Base interactions energy: -122.754 where: short stacking energy: -122.754 Base-Backbone interact. energy: -0.033 local terms energy: -95.038435 where: bonds (distance) C4'-P energy: -10.875 bonds (distance) P-C4' energy: -20.263 flat angles C4'-P-C4' energy: -22.255 flat angles P-C4'-P energy: -14.434 tors. eta vs tors. theta energy: -27.211 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: 2, replica: 7 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -210.971620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.971620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.971620 (E_RNA) where: Base-Base interactions energy: -111.193 where: short stacking energy: -111.193 Base-Backbone interact. energy: -0.002 local terms energy: -99.776521 where: bonds (distance) C4'-P energy: -19.896 bonds (distance) P-C4' energy: -18.948 flat angles C4'-P-C4' energy: -19.387 flat angles P-C4'-P energy: -14.135 tors. eta vs tors. theta energy: -27.411 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: 8 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -183.782864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.782864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.782864 (E_RNA) where: Base-Base interactions energy: -97.562 where: short stacking energy: -97.562 Base-Backbone interact. energy: -0.049 local terms energy: -86.172272 where: bonds (distance) C4'-P energy: -18.001 bonds (distance) P-C4' energy: -20.988 flat angles C4'-P-C4' energy: -19.138 flat angles P-C4'-P energy: -11.648 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: 4, replica: 1 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -188.145251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.145251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.145251 (E_RNA) where: Base-Base interactions energy: -102.579 where: short stacking energy: -102.579 Base-Backbone interact. energy: -0.003 local terms energy: -85.563199 where: bonds (distance) C4'-P energy: -11.015 bonds (distance) P-C4' energy: -20.536 flat angles C4'-P-C4' energy: -20.487 flat angles P-C4'-P energy: -10.209 tors. eta vs tors. theta energy: -23.316 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: 5, replica: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -152.200341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.200341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.200341 (E_RNA) where: Base-Base interactions energy: -78.361 where: short stacking energy: -78.361 Base-Backbone interact. energy: -0.481 local terms energy: -73.358093 where: bonds (distance) C4'-P energy: -14.209 bonds (distance) P-C4' energy: -14.013 flat angles C4'-P-C4' energy: -18.531 flat angles P-C4'-P energy: -11.085 tors. eta vs tors. theta energy: -15.520 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: 4 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -148.579587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.579587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.579587 (E_RNA) where: Base-Base interactions energy: -77.268 where: short stacking energy: -74.822 Base-Backbone interact. energy: -0.333 local terms energy: -70.978139 where: bonds (distance) C4'-P energy: -14.841 bonds (distance) P-C4' energy: -19.961 flat angles C4'-P-C4' energy: -15.537 flat angles P-C4'-P energy: -9.725 tors. eta vs tors. theta energy: -10.914 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: 7, replica: 10 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -162.548569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.548569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.548569 (E_RNA) where: Base-Base interactions energy: -90.718 where: short stacking energy: -90.718 Base-Backbone interact. energy: -0.000 local terms energy: -71.829911 where: bonds (distance) C4'-P energy: -18.702 bonds (distance) P-C4' energy: -14.221 flat angles C4'-P-C4' energy: -12.907 flat angles P-C4'-P energy: -9.637 tors. eta vs tors. theta energy: -16.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -131.086903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.086903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.086903 (E_RNA) where: Base-Base interactions energy: -70.256 where: short stacking energy: -69.658 Base-Backbone interact. energy: -0.163 local terms energy: -60.668280 where: bonds (distance) C4'-P energy: -13.085 bonds (distance) P-C4' energy: -15.142 flat angles C4'-P-C4' energy: -15.788 flat angles P-C4'-P energy: -7.825 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: 9, replica: 3 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -122.408794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.408794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.408794 (E_RNA) where: Base-Base interactions energy: -56.068 where: short stacking energy: -56.068 Base-Backbone interact. energy: -0.132 local terms energy: -66.208953 where: bonds (distance) C4'-P energy: -11.807 bonds (distance) P-C4' energy: -15.396 flat angles C4'-P-C4' energy: -19.273 flat angles P-C4'-P energy: -10.256 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: 6 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -95.918721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.918721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.918721 (E_RNA) where: Base-Base interactions energy: -39.867 where: short stacking energy: -38.152 Base-Backbone interact. energy: -0.132 local terms energy: -55.919434 where: bonds (distance) C4'-P energy: -16.249 bonds (distance) P-C4' energy: -14.742 flat angles C4'-P-C4' energy: -13.741 flat angles P-C4'-P energy: -11.757 tors. eta vs tors. theta energy: 0.569 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: 1, replica: 7 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -214.009024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.009024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.009024 (E_RNA) where: Base-Base interactions energy: -115.646 where: short stacking energy: -115.646 Base-Backbone interact. energy: 0.535 local terms energy: -98.897725 where: bonds (distance) C4'-P energy: -19.133 bonds (distance) P-C4' energy: -18.576 flat angles C4'-P-C4' energy: -19.881 flat angles P-C4'-P energy: -15.432 tors. eta vs tors. theta energy: -25.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -206.649179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.649179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.649179 (E_RNA) where: Base-Base interactions energy: -113.761 where: short stacking energy: -113.761 Base-Backbone interact. energy: -0.000 local terms energy: -92.888439 where: bonds (distance) C4'-P energy: -19.030 bonds (distance) P-C4' energy: -15.617 flat angles C4'-P-C4' energy: -20.615 flat angles P-C4'-P energy: -13.048 tors. eta vs tors. theta energy: -24.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -199.497689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.497689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.497689 (E_RNA) where: Base-Base interactions energy: -103.269 where: short stacking energy: -103.269 Base-Backbone interact. energy: -0.006 local terms energy: -96.222148 where: bonds (distance) C4'-P energy: -18.450 bonds (distance) P-C4' energy: -20.812 flat angles C4'-P-C4' energy: -17.529 flat angles P-C4'-P energy: -12.812 tors. eta vs tors. theta energy: -26.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -170.792331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.792331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.792331 (E_RNA) where: Base-Base interactions energy: -97.119 where: short stacking energy: -97.119 Base-Backbone interact. energy: -0.081 local terms energy: -73.591970 where: bonds (distance) C4'-P energy: -15.096 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -15.579 flat angles P-C4'-P energy: -10.750 tors. eta vs tors. theta energy: -17.921 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: 5 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -165.328965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.328965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.328965 (E_RNA) where: Base-Base interactions energy: -85.651 where: short stacking energy: -85.651 Base-Backbone interact. energy: -0.137 local terms energy: -79.541288 where: bonds (distance) C4'-P energy: -14.050 bonds (distance) P-C4' energy: -16.521 flat angles C4'-P-C4' energy: -21.374 flat angles P-C4'-P energy: -9.165 tors. eta vs tors. theta energy: -18.431 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: 6, replica: 4 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -159.760710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.760710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.760710 (E_RNA) where: Base-Base interactions energy: -87.389 where: short stacking energy: -87.389 Base-Backbone interact. energy: -0.191 local terms energy: -72.180710 where: bonds (distance) C4'-P energy: -13.803 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -13.543 flat angles P-C4'-P energy: -10.250 tors. eta vs tors. theta energy: -19.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -139.686462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.686462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.686462 (E_RNA) where: Base-Base interactions energy: -74.958 where: short stacking energy: -75.318 Base-Backbone interact. energy: 0.679 local terms energy: -65.407082 where: bonds (distance) C4'-P energy: -5.838 bonds (distance) P-C4' energy: -19.289 flat angles C4'-P-C4' energy: -16.243 flat angles P-C4'-P energy: -10.949 tors. eta vs tors. theta energy: -13.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -131.443687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.443687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.443687 (E_RNA) where: Base-Base interactions energy: -63.359 where: short stacking energy: -63.359 Base-Backbone interact. energy: -0.165 local terms energy: -67.919551 where: bonds (distance) C4'-P energy: -11.878 bonds (distance) P-C4' energy: -18.259 flat angles C4'-P-C4' energy: -16.685 flat angles P-C4'-P energy: -7.498 tors. eta vs tors. theta energy: -13.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -123.967994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.967994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.967994 (E_RNA) where: Base-Base interactions energy: -58.435 where: short stacking energy: -58.435 Base-Backbone interact. energy: -0.101 local terms energy: -65.431773 where: bonds (distance) C4'-P energy: -8.785 bonds (distance) P-C4' energy: -16.693 flat angles C4'-P-C4' energy: -19.053 flat angles P-C4'-P energy: -12.455 tors. eta vs tors. theta energy: -8.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -111.982680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.982680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.982680 (E_RNA) where: Base-Base interactions energy: -50.722 where: short stacking energy: -50.722 Base-Backbone interact. energy: -0.064 local terms energy: -61.196397 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -12.576 flat angles C4'-P-C4' energy: -20.524 flat angles P-C4'-P energy: -13.257 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: 1, replica: 7 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -216.105981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.105981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.105981 (E_RNA) where: Base-Base interactions energy: -114.148 where: short stacking energy: -114.148 Base-Backbone interact. energy: -0.013 local terms energy: -101.944781 where: bonds (distance) C4'-P energy: -18.940 bonds (distance) P-C4' energy: -21.619 flat angles C4'-P-C4' energy: -22.069 flat angles P-C4'-P energy: -12.962 tors. eta vs tors. theta energy: -26.355 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: 8 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -193.123217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.123217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.123217 (E_RNA) where: Base-Base interactions energy: -104.742 where: short stacking energy: -103.320 Base-Backbone interact. energy: -0.005 local terms energy: -88.376793 where: bonds (distance) C4'-P energy: -14.274 bonds (distance) P-C4' energy: -18.924 flat angles C4'-P-C4' energy: -18.229 flat angles P-C4'-P energy: -14.275 tors. eta vs tors. theta energy: -22.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -194.281883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.281883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.281883 (E_RNA) where: Base-Base interactions energy: -97.762 where: short stacking energy: -97.762 Base-Backbone interact. energy: -0.002 local terms energy: -96.518015 where: bonds (distance) C4'-P energy: -19.455 bonds (distance) P-C4' energy: -18.974 flat angles C4'-P-C4' energy: -19.301 flat angles P-C4'-P energy: -14.393 tors. eta vs tors. theta energy: -24.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -173.876949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.876949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.876949 (E_RNA) where: Base-Base interactions energy: -90.993 where: short stacking energy: -90.993 Base-Backbone interact. energy: -0.141 local terms energy: -82.743097 where: bonds (distance) C4'-P energy: -18.754 bonds (distance) P-C4' energy: -19.420 flat angles C4'-P-C4' energy: -19.516 flat angles P-C4'-P energy: -7.183 tors. eta vs tors. theta energy: -17.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -164.063274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.063274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.063274 (E_RNA) where: Base-Base interactions energy: -87.075 where: short stacking energy: -85.674 Base-Backbone interact. energy: -0.323 local terms energy: -76.665711 where: bonds (distance) C4'-P energy: -13.599 bonds (distance) P-C4' energy: -18.191 flat angles C4'-P-C4' energy: -16.588 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -18.170 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: 10 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -151.637288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.637288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.637288 (E_RNA) where: Base-Base interactions energy: -71.327 where: short stacking energy: -71.123 Base-Backbone interact. energy: -0.140 local terms energy: -80.170042 where: bonds (distance) C4'-P energy: -17.123 bonds (distance) P-C4' energy: -20.352 flat angles C4'-P-C4' energy: -17.365 flat angles P-C4'-P energy: -14.313 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: 7, replica: 4 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -134.442448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.442448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.442448 (E_RNA) where: Base-Base interactions energy: -58.308 where: short stacking energy: -58.308 Base-Backbone interact. energy: -0.050 local terms energy: -76.084751 where: bonds (distance) C4'-P energy: -12.808 bonds (distance) P-C4' energy: -22.345 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -14.728 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: 8, replica: 6 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -129.147483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.147483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.147483 (E_RNA) where: Base-Base interactions energy: -63.550 where: short stacking energy: -62.350 Base-Backbone interact. energy: 2.234 local terms energy: -67.832135 where: bonds (distance) C4'-P energy: -18.348 bonds (distance) P-C4' energy: -17.439 flat angles C4'-P-C4' energy: -15.903 flat angles P-C4'-P energy: -8.812 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: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -117.682515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.682515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.682515 (E_RNA) where: Base-Base interactions energy: -56.767 where: short stacking energy: -56.767 Base-Backbone interact. energy: -0.091 local terms energy: -60.824711 where: bonds (distance) C4'-P energy: -14.491 bonds (distance) P-C4' energy: -17.724 flat angles C4'-P-C4' energy: -13.713 flat angles P-C4'-P energy: -7.970 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: 3 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -118.242163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.242163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.242163 (E_RNA) where: Base-Base interactions energy: -50.592 where: short stacking energy: -50.592 Base-Backbone interact. energy: -0.822 local terms energy: -66.827659 where: bonds (distance) C4'-P energy: -15.300 bonds (distance) P-C4' energy: -18.529 flat angles C4'-P-C4' energy: -16.095 flat angles P-C4'-P energy: -9.426 tors. eta vs tors. theta energy: -7.477 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: 1, replica: 7 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -216.833248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.833248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.833248 (E_RNA) where: Base-Base interactions energy: -116.559 where: short stacking energy: -116.559 Base-Backbone interact. energy: -0.000 local terms energy: -100.274484 where: bonds (distance) C4'-P energy: -19.153 bonds (distance) P-C4' energy: -20.824 flat angles C4'-P-C4' energy: -19.354 flat angles P-C4'-P energy: -12.785 tors. eta vs tors. theta energy: -28.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -203.491474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.491474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.491474 (E_RNA) where: Base-Base interactions energy: -108.179 where: short stacking energy: -108.179 Base-Backbone interact. energy: -0.000 local terms energy: -95.312288 where: bonds (distance) C4'-P energy: -16.895 bonds (distance) P-C4' energy: -20.017 flat angles C4'-P-C4' energy: -20.176 flat angles P-C4'-P energy: -12.006 tors. eta vs tors. theta energy: -26.219 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: 3, replica: 1 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -188.323229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.323229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.323229 (E_RNA) where: Base-Base interactions energy: -100.651 where: short stacking energy: -97.932 Base-Backbone interact. energy: -0.055 local terms energy: -87.617509 where: bonds (distance) C4'-P energy: -13.776 bonds (distance) P-C4' energy: -18.883 flat angles C4'-P-C4' energy: -19.163 flat angles P-C4'-P energy: -13.642 tors. eta vs tors. theta energy: -22.153 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: 4, replica: 2 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -186.519462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.519462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.519462 (E_RNA) where: Base-Base interactions energy: -97.302 where: short stacking energy: -97.302 Base-Backbone interact. energy: -0.052 local terms energy: -89.164746 where: bonds (distance) C4'-P energy: -15.737 bonds (distance) P-C4' energy: -20.302 flat angles C4'-P-C4' energy: -18.683 flat angles P-C4'-P energy: -11.286 tors. eta vs tors. theta energy: -23.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -161.139579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.139579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.139579 (E_RNA) where: Base-Base interactions energy: -79.980 where: short stacking energy: -79.980 Base-Backbone interact. energy: -0.098 local terms energy: -81.061422 where: bonds (distance) C4'-P energy: -14.423 bonds (distance) P-C4' energy: -17.691 flat angles C4'-P-C4' energy: -19.965 flat angles P-C4'-P energy: -13.622 tors. eta vs tors. theta energy: -15.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -147.249583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.249583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.249583 (E_RNA) where: Base-Base interactions energy: -75.811 where: short stacking energy: -75.811 Base-Backbone interact. energy: -0.184 local terms energy: -71.254310 where: bonds (distance) C4'-P energy: -17.004 bonds (distance) P-C4' energy: -11.485 flat angles C4'-P-C4' energy: -20.687 flat angles P-C4'-P energy: -11.865 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: 7, replica: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -128.603395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.603395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.603395 (E_RNA) where: Base-Base interactions energy: -64.569 where: short stacking energy: -64.569 Base-Backbone interact. energy: -0.139 local terms energy: -63.895462 where: bonds (distance) C4'-P energy: -17.474 bonds (distance) P-C4' energy: -12.752 flat angles C4'-P-C4' energy: -18.121 flat angles P-C4'-P energy: -10.856 tors. eta vs tors. theta energy: -4.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -139.009767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.009767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.009767 (E_RNA) where: Base-Base interactions energy: -70.902 where: short stacking energy: -70.902 Base-Backbone interact. energy: -0.020 local terms energy: -68.087044 where: bonds (distance) C4'-P energy: -15.349 bonds (distance) P-C4' energy: -14.297 flat angles C4'-P-C4' energy: -21.091 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -13.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -108.145310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.145310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.145310 (E_RNA) where: Base-Base interactions energy: -55.399 where: short stacking energy: -55.399 Base-Backbone interact. energy: -0.060 local terms energy: -52.686060 where: bonds (distance) C4'-P energy: -16.704 bonds (distance) P-C4' energy: -17.228 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -6.834 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: 10, replica: 3 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -115.368107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.368107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.368107 (E_RNA) where: Base-Base interactions energy: -53.291 where: short stacking energy: -53.291 Base-Backbone interact. energy: -1.456 local terms energy: -60.621429 where: bonds (distance) C4'-P energy: -17.609 bonds (distance) P-C4' energy: -15.954 flat angles C4'-P-C4' energy: -10.357 flat angles P-C4'-P energy: -12.140 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: 1, replica: 7 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -225.680372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.680372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.680372 (E_RNA) where: Base-Base interactions energy: -116.432 where: short stacking energy: -116.432 Base-Backbone interact. energy: -0.083 local terms energy: -109.165120 where: bonds (distance) C4'-P energy: -21.995 bonds (distance) P-C4' energy: -19.681 flat angles C4'-P-C4' energy: -21.223 flat angles P-C4'-P energy: -15.849 tors. eta vs tors. theta energy: -30.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -214.353523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.353523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.353523 (E_RNA) where: Base-Base interactions energy: -116.914 where: short stacking energy: -116.914 Base-Backbone interact. energy: -0.000 local terms energy: -97.439667 where: bonds (distance) C4'-P energy: -18.360 bonds (distance) P-C4' energy: -17.409 flat angles C4'-P-C4' energy: -19.719 flat angles P-C4'-P energy: -13.766 tors. eta vs tors. theta energy: -28.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -200.905012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.905012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.905012 (E_RNA) where: Base-Base interactions energy: -110.379 where: short stacking energy: -110.379 Base-Backbone interact. energy: -0.000 local terms energy: -90.526111 where: bonds (distance) C4'-P energy: -14.175 bonds (distance) P-C4' energy: -16.272 flat angles C4'-P-C4' energy: -17.549 flat angles P-C4'-P energy: -16.473 tors. eta vs tors. theta energy: -26.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -169.995827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.995827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.995827 (E_RNA) where: Base-Base interactions energy: -92.301 where: short stacking energy: -92.301 Base-Backbone interact. energy: -1.184 local terms energy: -76.510796 where: bonds (distance) C4'-P energy: -13.213 bonds (distance) P-C4' energy: -16.835 flat angles C4'-P-C4' energy: -15.794 flat angles P-C4'-P energy: -12.019 tors. eta vs tors. theta energy: -18.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -167.853055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.853055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.853055 (E_RNA) where: Base-Base interactions energy: -78.822 where: short stacking energy: -78.822 Base-Backbone interact. energy: 1.254 local terms energy: -90.285200 where: bonds (distance) C4'-P energy: -18.576 bonds (distance) P-C4' energy: -19.667 flat angles C4'-P-C4' energy: -18.417 flat angles P-C4'-P energy: -15.631 tors. eta vs tors. theta energy: -17.994 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: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -155.502369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.502369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.502369 (E_RNA) where: Base-Base interactions energy: -78.764 where: short stacking energy: -78.764 Base-Backbone interact. energy: 0.014 local terms energy: -76.752154 where: bonds (distance) C4'-P energy: -14.778 bonds (distance) P-C4' energy: -18.358 flat angles C4'-P-C4' energy: -15.367 flat angles P-C4'-P energy: -10.875 tors. eta vs tors. theta energy: -17.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -146.268540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.268540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.268540 (E_RNA) where: Base-Base interactions energy: -66.844 where: short stacking energy: -66.844 Base-Backbone interact. energy: 0.479 local terms energy: -79.903192 where: bonds (distance) C4'-P energy: -17.604 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -15.963 flat angles P-C4'-P energy: -10.823 tors. eta vs tors. theta energy: -20.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -135.499889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.499889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.499889 (E_RNA) where: Base-Base interactions energy: -72.067 where: short stacking energy: -72.067 Base-Backbone interact. energy: -0.076 local terms energy: -63.357649 where: bonds (distance) C4'-P energy: -15.285 bonds (distance) P-C4' energy: -13.825 flat angles C4'-P-C4' energy: -15.859 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -14.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -121.376253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.376253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.376253 (E_RNA) where: Base-Base interactions energy: -60.693 where: short stacking energy: -54.606 Base-Backbone interact. energy: -0.118 local terms energy: -60.564749 where: bonds (distance) C4'-P energy: -9.413 bonds (distance) P-C4' energy: -17.597 flat angles C4'-P-C4' energy: -11.525 flat angles P-C4'-P energy: -10.680 tors. eta vs tors. theta energy: -11.351 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: 3 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -104.781702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.781702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.781702 (E_RNA) where: Base-Base interactions energy: -36.880 where: short stacking energy: -34.927 Base-Backbone interact. energy: -0.195 local terms energy: -67.707283 where: bonds (distance) C4'-P energy: -13.740 bonds (distance) P-C4' energy: -18.321 flat angles C4'-P-C4' energy: -19.439 flat angles P-C4'-P energy: -12.160 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: 1, replica: 1 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -222.383010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.383010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.383010 (E_RNA) where: Base-Base interactions energy: -118.870 where: short stacking energy: -118.870 Base-Backbone interact. energy: -0.119 local terms energy: -103.393527 where: bonds (distance) C4'-P energy: -16.776 bonds (distance) P-C4' energy: -18.434 flat angles C4'-P-C4' energy: -22.343 flat angles P-C4'-P energy: -16.953 tors. eta vs tors. theta energy: -28.888 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: 7 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -219.862528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.862528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.862528 (E_RNA) where: Base-Base interactions energy: -121.055 where: short stacking energy: -121.055 Base-Backbone interact. energy: 0.030 local terms energy: -98.837100 where: bonds (distance) C4'-P energy: -17.868 bonds (distance) P-C4' energy: -19.584 flat angles C4'-P-C4' energy: -21.383 flat angles P-C4'-P energy: -12.462 tors. eta vs tors. theta energy: -27.540 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: 34 Temperature: 1.000000 Total energy: -191.637188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.637188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.637188 (E_RNA) where: Base-Base interactions energy: -105.829 where: short stacking energy: -105.317 Base-Backbone interact. energy: -0.162 local terms energy: -85.646758 where: bonds (distance) C4'-P energy: -17.859 bonds (distance) P-C4' energy: -17.134 flat angles C4'-P-C4' energy: -17.306 flat angles P-C4'-P energy: -14.230 tors. eta vs tors. theta energy: -19.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -163.134010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.134010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.134010 (E_RNA) where: Base-Base interactions energy: -78.428 where: short stacking energy: -78.428 Base-Backbone interact. energy: -0.022 local terms energy: -84.683570 where: bonds (distance) C4'-P energy: -18.844 bonds (distance) P-C4' energy: -18.387 flat angles C4'-P-C4' energy: -18.319 flat angles P-C4'-P energy: -11.123 tors. eta vs tors. theta energy: -18.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -142.035991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.035991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.035991 (E_RNA) where: Base-Base interactions energy: -71.660 where: short stacking energy: -71.660 Base-Backbone interact. energy: -0.481 local terms energy: -69.895175 where: bonds (distance) C4'-P energy: -13.707 bonds (distance) P-C4' energy: -18.376 flat angles C4'-P-C4' energy: -12.636 flat angles P-C4'-P energy: -13.219 tors. eta vs tors. theta energy: -11.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -141.932957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.932957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.932957 (E_RNA) where: Base-Base interactions energy: -73.418 where: short stacking energy: -71.716 Base-Backbone interact. energy: -0.243 local terms energy: -68.271803 where: bonds (distance) C4'-P energy: -15.147 bonds (distance) P-C4' energy: -21.206 flat angles C4'-P-C4' energy: -14.271 flat angles P-C4'-P energy: -10.671 tors. eta vs tors. theta energy: -6.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -132.767707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.767707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.767707 (E_RNA) where: Base-Base interactions energy: -75.159 where: short stacking energy: -75.159 Base-Backbone interact. energy: -0.082 local terms energy: -57.526860 where: bonds (distance) C4'-P energy: -9.828 bonds (distance) P-C4' energy: -14.324 flat angles C4'-P-C4' energy: -13.721 flat angles P-C4'-P energy: -7.849 tors. eta vs tors. theta energy: -11.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -131.042579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.042579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.042579 (E_RNA) where: Base-Base interactions energy: -68.888 where: short stacking energy: -66.332 Base-Backbone interact. energy: 0.162 local terms energy: -62.316050 where: bonds (distance) C4'-P energy: -16.344 bonds (distance) P-C4' energy: -12.244 flat angles C4'-P-C4' energy: -16.448 flat angles P-C4'-P energy: -10.715 tors. eta vs tors. theta energy: -6.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -128.305834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.305834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.305834 (E_RNA) where: Base-Base interactions energy: -64.286 where: short stacking energy: -64.169 Base-Backbone interact. energy: -0.007 local terms energy: -64.013052 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -14.457 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -10.780 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: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -124.061883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.061883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.061883 (E_RNA) where: Base-Base interactions energy: -58.147 where: short stacking energy: -58.147 Base-Backbone interact. energy: -0.026 local terms energy: -65.888767 where: bonds (distance) C4'-P energy: -16.650 bonds (distance) P-C4' energy: -14.773 flat angles C4'-P-C4' energy: -15.035 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -10.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -223.914908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.914908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.914908 (E_RNA) where: Base-Base interactions energy: -118.295 where: short stacking energy: -118.295 Base-Backbone interact. energy: -0.000 local terms energy: -105.619509 where: bonds (distance) C4'-P energy: -19.672 bonds (distance) P-C4' energy: -21.926 flat angles C4'-P-C4' energy: -19.627 flat angles P-C4'-P energy: -16.309 tors. eta vs tors. theta energy: -28.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -197.711700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.711700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.711700 (E_RNA) where: Base-Base interactions energy: -110.894 where: short stacking energy: -110.894 Base-Backbone interact. energy: -0.012 local terms energy: -86.805749 where: bonds (distance) C4'-P energy: -13.545 bonds (distance) P-C4' energy: -19.650 flat angles C4'-P-C4' energy: -19.682 flat angles P-C4'-P energy: -10.449 tors. eta vs tors. theta energy: -23.479 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: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -214.289287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.289287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.289287 (E_RNA) where: Base-Base interactions energy: -114.996 where: short stacking energy: -114.996 Base-Backbone interact. energy: -0.000 local terms energy: -99.292839 where: bonds (distance) C4'-P energy: -17.152 bonds (distance) P-C4' energy: -19.714 flat angles C4'-P-C4' energy: -20.457 flat angles P-C4'-P energy: -13.824 tors. eta vs tors. theta energy: -28.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -155.769464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.769464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.769464 (E_RNA) where: Base-Base interactions energy: -79.036 where: short stacking energy: -79.036 Base-Backbone interact. energy: 0.560 local terms energy: -77.293067 where: bonds (distance) C4'-P energy: -15.356 bonds (distance) P-C4' energy: -20.501 flat angles C4'-P-C4' energy: -18.540 flat angles P-C4'-P energy: -11.214 tors. eta vs tors. theta energy: -11.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -157.073431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.073431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.073431 (E_RNA) where: Base-Base interactions energy: -84.335 where: short stacking energy: -84.010 Base-Backbone interact. energy: -0.012 local terms energy: -72.726588 where: bonds (distance) C4'-P energy: -16.225 bonds (distance) P-C4' energy: -14.078 flat angles C4'-P-C4' energy: -19.134 flat angles P-C4'-P energy: -11.228 tors. eta vs tors. theta energy: -12.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -149.360602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.360602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.360602 (E_RNA) where: Base-Base interactions energy: -79.907 where: short stacking energy: -79.907 Base-Backbone interact. energy: -0.072 local terms energy: -69.381795 where: bonds (distance) C4'-P energy: -15.536 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -17.586 flat angles P-C4'-P energy: -7.566 tors. eta vs tors. theta energy: -12.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -155.087356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.087356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.087356 (E_RNA) where: Base-Base interactions energy: -71.581 where: short stacking energy: -71.581 Base-Backbone interact. energy: -0.035 local terms energy: -83.472189 where: bonds (distance) C4'-P energy: -19.433 bonds (distance) P-C4' energy: -16.881 flat angles C4'-P-C4' energy: -19.407 flat angles P-C4'-P energy: -15.203 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: 8, replica: 3 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -154.740974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.740974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.740974 (E_RNA) where: Base-Base interactions energy: -81.681 where: short stacking energy: -81.681 Base-Backbone interact. energy: -0.032 local terms energy: -73.027727 where: bonds (distance) C4'-P energy: -18.819 bonds (distance) P-C4' energy: -14.992 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -8.850 tors. eta vs tors. theta energy: -17.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -106.886126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.886126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.886126 (E_RNA) where: Base-Base interactions energy: -41.812 where: short stacking energy: -40.907 Base-Backbone interact. energy: -0.492 local terms energy: -64.582336 where: bonds (distance) C4'-P energy: -17.155 bonds (distance) P-C4' energy: -16.840 flat angles C4'-P-C4' energy: -17.683 flat angles P-C4'-P energy: -11.196 tors. eta vs tors. theta energy: -1.709 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: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -117.273326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.273326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.273326 (E_RNA) where: Base-Base interactions energy: -55.159 where: short stacking energy: -55.159 Base-Backbone interact. energy: -0.151 local terms energy: -61.963036 where: bonds (distance) C4'-P energy: -11.882 bonds (distance) P-C4' energy: -15.738 flat angles C4'-P-C4' energy: -14.320 flat angles P-C4'-P energy: -12.561 tors. eta vs tors. theta energy: -7.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -218.111046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.111046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.111046 (E_RNA) where: Base-Base interactions energy: -116.328 where: short stacking energy: -116.328 Base-Backbone interact. energy: -0.000 local terms energy: -101.782683 where: bonds (distance) C4'-P energy: -21.453 bonds (distance) P-C4' energy: -19.541 flat angles C4'-P-C4' energy: -20.744 flat angles P-C4'-P energy: -14.575 tors. eta vs tors. theta energy: -25.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -195.079656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.079656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.079656 (E_RNA) where: Base-Base interactions energy: -103.813 where: short stacking energy: -103.813 Base-Backbone interact. energy: -0.181 local terms energy: -91.085245 where: bonds (distance) C4'-P energy: -17.915 bonds (distance) P-C4' energy: -22.325 flat angles C4'-P-C4' energy: -18.260 flat angles P-C4'-P energy: -7.630 tors. eta vs tors. theta energy: -24.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -210.385175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.385175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.385175 (E_RNA) where: Base-Base interactions energy: -114.180 where: short stacking energy: -114.180 Base-Backbone interact. energy: -0.000 local terms energy: -96.204546 where: bonds (distance) C4'-P energy: -16.266 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -21.075 flat angles P-C4'-P energy: -16.129 tors. eta vs tors. theta energy: -29.709 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: 6 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -175.642599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.642599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.642599 (E_RNA) where: Base-Base interactions energy: -96.838 where: short stacking energy: -96.838 Base-Backbone interact. energy: -0.134 local terms energy: -78.670125 where: bonds (distance) C4'-P energy: -18.336 bonds (distance) P-C4' energy: -15.991 flat angles C4'-P-C4' energy: -19.003 flat angles P-C4'-P energy: -5.824 tors. eta vs tors. theta energy: -19.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -144.351297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.351297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.351297 (E_RNA) where: Base-Base interactions energy: -75.526 where: short stacking energy: -75.526 Base-Backbone interact. energy: -0.118 local terms energy: -68.707447 where: bonds (distance) C4'-P energy: -14.055 bonds (distance) P-C4' energy: -15.148 flat angles C4'-P-C4' energy: -16.363 flat angles P-C4'-P energy: -9.975 tors. eta vs tors. theta energy: -13.167 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: 10 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -140.038689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.038689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.038689 (E_RNA) where: Base-Base interactions energy: -68.576 where: short stacking energy: -68.576 Base-Backbone interact. energy: -0.048 local terms energy: -71.414651 where: bonds (distance) C4'-P energy: -16.529 bonds (distance) P-C4' energy: -16.590 flat angles C4'-P-C4' energy: -19.947 flat angles P-C4'-P energy: -4.866 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: 7, replica: 3 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -145.786482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.786482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.786482 (E_RNA) where: Base-Base interactions energy: -74.603 where: short stacking energy: -73.938 Base-Backbone interact. energy: -0.844 local terms energy: -70.339344 where: bonds (distance) C4'-P energy: -17.093 bonds (distance) P-C4' energy: -20.084 flat angles C4'-P-C4' energy: -13.753 flat angles P-C4'-P energy: -8.116 tors. eta vs tors. theta energy: -11.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -128.837630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.837630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.837630 (E_RNA) where: Base-Base interactions energy: -57.252 where: short stacking energy: -53.814 Base-Backbone interact. energy: -0.045 local terms energy: -71.540438 where: bonds (distance) C4'-P energy: -18.311 bonds (distance) P-C4' energy: -17.272 flat angles C4'-P-C4' energy: -9.400 flat angles P-C4'-P energy: -15.869 tors. eta vs tors. theta energy: -10.688 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: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -115.951154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.951154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.951154 (E_RNA) where: Base-Base interactions energy: -51.643 where: short stacking energy: -51.643 Base-Backbone interact. energy: 0.465 local terms energy: -64.773605 where: bonds (distance) C4'-P energy: -14.421 bonds (distance) P-C4' energy: -21.893 flat angles C4'-P-C4' energy: -16.002 flat angles P-C4'-P energy: -8.293 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: 10, replica: 4 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -106.948568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.948568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.948568 (E_RNA) where: Base-Base interactions energy: -49.956 where: short stacking energy: -49.956 Base-Backbone interact. energy: -0.260 local terms energy: -56.732115 where: bonds (distance) C4'-P energy: -15.685 bonds (distance) P-C4' energy: -13.996 flat angles C4'-P-C4' energy: -15.486 flat angles P-C4'-P energy: -10.629 tors. eta vs tors. theta energy: -0.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -207.840459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.840459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.840459 (E_RNA) where: Base-Base interactions energy: -111.137 where: short stacking energy: -111.137 Base-Backbone interact. energy: -0.004 local terms energy: -96.700074 where: bonds (distance) C4'-P energy: -20.672 bonds (distance) P-C4' energy: -17.403 flat angles C4'-P-C4' energy: -20.256 flat angles P-C4'-P energy: -14.461 tors. eta vs tors. theta energy: -23.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -220.616532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.616532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.616532 (E_RNA) where: Base-Base interactions energy: -122.479 where: short stacking energy: -122.479 Base-Backbone interact. energy: 1.179 local terms energy: -99.315931 where: bonds (distance) C4'-P energy: -17.851 bonds (distance) P-C4' energy: -17.068 flat angles C4'-P-C4' energy: -20.413 flat angles P-C4'-P energy: -14.784 tors. eta vs tors. theta energy: -29.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -175.004570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.004570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.004570 (E_RNA) where: Base-Base interactions energy: -91.472 where: short stacking energy: -91.472 Base-Backbone interact. energy: -0.538 local terms energy: -82.995412 where: bonds (distance) C4'-P energy: -17.429 bonds (distance) P-C4' energy: -14.400 flat angles C4'-P-C4' energy: -18.960 flat angles P-C4'-P energy: -13.049 tors. eta vs tors. theta energy: -19.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -192.290470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.290470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.290470 (E_RNA) where: Base-Base interactions energy: -104.933 where: short stacking energy: -104.875 Base-Backbone interact. energy: -0.050 local terms energy: -87.307276 where: bonds (distance) C4'-P energy: -14.961 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -22.564 flat angles P-C4'-P energy: -12.143 tors. eta vs tors. theta energy: -25.128 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: 5 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -148.526354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.526354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.526354 (E_RNA) where: Base-Base interactions energy: -78.282 where: short stacking energy: -76.326 Base-Backbone interact. energy: -0.120 local terms energy: -70.123935 where: bonds (distance) C4'-P energy: -15.765 bonds (distance) P-C4' energy: -18.254 flat angles C4'-P-C4' energy: -14.261 flat angles P-C4'-P energy: -7.426 tors. eta vs tors. theta energy: -14.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -181.904245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.904245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.904245 (E_RNA) where: Base-Base interactions energy: -99.590 where: short stacking energy: -98.517 Base-Backbone interact. energy: -2.076 local terms energy: -80.238183 where: bonds (distance) C4'-P energy: -13.595 bonds (distance) P-C4' energy: -16.323 flat angles C4'-P-C4' energy: -19.235 flat angles P-C4'-P energy: -8.579 tors. eta vs tors. theta energy: -22.507 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: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -148.422457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.422457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.422457 (E_RNA) where: Base-Base interactions energy: -70.324 where: short stacking energy: -70.324 Base-Backbone interact. energy: 0.313 local terms energy: -78.412123 where: bonds (distance) C4'-P energy: -15.078 bonds (distance) P-C4' energy: -15.391 flat angles C4'-P-C4' energy: -19.470 flat angles P-C4'-P energy: -11.074 tors. eta vs tors. theta energy: -17.399 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: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -136.469706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.469706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.469706 (E_RNA) where: Base-Base interactions energy: -62.484 where: short stacking energy: -58.456 Base-Backbone interact. energy: -0.237 local terms energy: -73.749371 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -18.483 flat angles C4'-P-C4' energy: -18.991 flat angles P-C4'-P energy: -12.593 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: 9, replica: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -124.712371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.712371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.712371 (E_RNA) where: Base-Base interactions energy: -53.357 where: short stacking energy: -53.357 Base-Backbone interact. energy: -0.072 local terms energy: -71.282653 where: bonds (distance) C4'-P energy: -16.770 bonds (distance) P-C4' energy: -17.074 flat angles C4'-P-C4' energy: -17.367 flat angles P-C4'-P energy: -10.252 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: 10, replica: 4 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -122.829867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.829867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.829867 (E_RNA) where: Base-Base interactions energy: -57.853 where: short stacking energy: -57.853 Base-Backbone interact. energy: -0.298 local terms energy: -64.679394 where: bonds (distance) C4'-P energy: -15.146 bonds (distance) P-C4' energy: -15.691 flat angles C4'-P-C4' energy: -18.376 flat angles P-C4'-P energy: -8.288 tors. eta vs tors. theta energy: -7.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -221.612991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.612991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.612991 (E_RNA) where: Base-Base interactions energy: -122.615 where: short stacking energy: -122.615 Base-Backbone interact. energy: -0.001 local terms energy: -98.996992 where: bonds (distance) C4'-P energy: -18.569 bonds (distance) P-C4' energy: -16.140 flat angles C4'-P-C4' energy: -19.256 flat angles P-C4'-P energy: -12.978 tors. eta vs tors. theta energy: -32.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -209.389751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.389751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.389751 (E_RNA) where: Base-Base interactions energy: -114.373 where: short stacking energy: -114.373 Base-Backbone interact. energy: -0.008 local terms energy: -95.008632 where: bonds (distance) C4'-P energy: -15.424 bonds (distance) P-C4' energy: -20.062 flat angles C4'-P-C4' energy: -17.644 flat angles P-C4'-P energy: -16.295 tors. eta vs tors. theta energy: -25.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -179.587728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.587728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.587728 (E_RNA) where: Base-Base interactions energy: -89.991 where: short stacking energy: -89.991 Base-Backbone interact. energy: -0.704 local terms energy: -88.893049 where: bonds (distance) C4'-P energy: -16.792 bonds (distance) P-C4' energy: -19.423 flat angles C4'-P-C4' energy: -20.911 flat angles P-C4'-P energy: -10.227 tors. eta vs tors. theta energy: -21.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -161.010099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.010099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.010099 (E_RNA) where: Base-Base interactions energy: -85.374 where: short stacking energy: -85.674 Base-Backbone interact. energy: -0.205 local terms energy: -75.430626 where: bonds (distance) C4'-P energy: -15.137 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -19.412 flat angles P-C4'-P energy: -11.660 tors. eta vs tors. theta energy: -12.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -182.768593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.768593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.768593 (E_RNA) where: Base-Base interactions energy: -101.400 where: short stacking energy: -101.400 Base-Backbone interact. energy: -0.013 local terms energy: -81.355303 where: bonds (distance) C4'-P energy: -15.635 bonds (distance) P-C4' energy: -11.142 flat angles C4'-P-C4' energy: -20.715 flat angles P-C4'-P energy: -10.067 tors. eta vs tors. theta energy: -23.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -146.430420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.430420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.430420 (E_RNA) where: Base-Base interactions energy: -70.799 where: short stacking energy: -70.799 Base-Backbone interact. energy: -0.190 local terms energy: -75.441276 where: bonds (distance) C4'-P energy: -13.475 bonds (distance) P-C4' energy: -15.617 flat angles C4'-P-C4' energy: -16.372 flat angles P-C4'-P energy: -13.495 tors. eta vs tors. theta energy: -16.481 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: 7, replica: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -139.939272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.939272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.939272 (E_RNA) where: Base-Base interactions energy: -68.543 where: short stacking energy: -68.208 Base-Backbone interact. energy: -0.203 local terms energy: -71.193404 where: bonds (distance) C4'-P energy: -11.344 bonds (distance) P-C4' energy: -21.166 flat angles C4'-P-C4' energy: -16.995 flat angles P-C4'-P energy: -11.656 tors. eta vs tors. theta energy: -10.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -127.722275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.722275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.722275 (E_RNA) where: Base-Base interactions energy: -60.947 where: short stacking energy: -60.947 Base-Backbone interact. energy: 1.099 local terms energy: -67.874157 where: bonds (distance) C4'-P energy: -12.647 bonds (distance) P-C4' energy: -19.600 flat angles C4'-P-C4' energy: -17.134 flat angles P-C4'-P energy: -13.497 tors. eta vs tors. theta energy: -4.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -128.303658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.303658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.303658 (E_RNA) where: Base-Base interactions energy: -69.063 where: short stacking energy: -69.063 Base-Backbone interact. energy: -0.290 local terms energy: -58.950933 where: bonds (distance) C4'-P energy: -15.274 bonds (distance) P-C4' energy: -16.519 flat angles C4'-P-C4' energy: -13.631 flat angles P-C4'-P energy: -6.617 tors. eta vs tors. theta energy: -6.910 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: 4 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -112.881031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.881031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.881031 (E_RNA) where: Base-Base interactions energy: -48.452 where: short stacking energy: -48.452 Base-Backbone interact. energy: -0.102 local terms energy: -64.326893 where: bonds (distance) C4'-P energy: -19.453 bonds (distance) P-C4' energy: -14.739 flat angles C4'-P-C4' energy: -15.308 flat angles P-C4'-P energy: -8.025 tors. eta vs tors. theta energy: -6.803 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: 39 Temperature: 0.900000 Total energy: -227.086166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.086166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.086166 (E_RNA) where: Base-Base interactions energy: -127.482 where: short stacking energy: -127.482 Base-Backbone interact. energy: -0.000 local terms energy: -99.603660 where: bonds (distance) C4'-P energy: -19.556 bonds (distance) P-C4' energy: -18.064 flat angles C4'-P-C4' energy: -21.094 flat angles P-C4'-P energy: -10.979 tors. eta vs tors. theta energy: -29.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -200.167623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.167623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.167623 (E_RNA) where: Base-Base interactions energy: -104.200 where: short stacking energy: -104.200 Base-Backbone interact. energy: -0.021 local terms energy: -95.946454 where: bonds (distance) C4'-P energy: -19.918 bonds (distance) P-C4' energy: -18.387 flat angles C4'-P-C4' energy: -20.514 flat angles P-C4'-P energy: -14.083 tors. eta vs tors. theta energy: -23.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -183.251959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.251959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.251959 (E_RNA) where: Base-Base interactions energy: -92.722 where: short stacking energy: -92.722 Base-Backbone interact. energy: -0.030 local terms energy: -90.499751 where: bonds (distance) C4'-P energy: -18.820 bonds (distance) P-C4' energy: -19.228 flat angles C4'-P-C4' energy: -18.270 flat angles P-C4'-P energy: -16.488 tors. eta vs tors. theta energy: -17.694 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: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -183.657709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.657709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.657709 (E_RNA) where: Base-Base interactions energy: -92.181 where: short stacking energy: -92.181 Base-Backbone interact. energy: -0.458 local terms energy: -91.019063 where: bonds (distance) C4'-P energy: -18.881 bonds (distance) P-C4' energy: -21.398 flat angles C4'-P-C4' energy: -17.221 flat angles P-C4'-P energy: -15.183 tors. eta vs tors. theta energy: -18.335 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: 39 Temperature: 1.100000 Total energy: -166.454203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.454203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.454203 (E_RNA) where: Base-Base interactions energy: -90.273 where: short stacking energy: -90.273 Base-Backbone interact. energy: -0.058 local terms energy: -76.123365 where: bonds (distance) C4'-P energy: -16.154 bonds (distance) P-C4' energy: -15.133 flat angles C4'-P-C4' energy: -13.864 flat angles P-C4'-P energy: -11.259 tors. eta vs tors. theta energy: -19.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -185.940199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.940199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.940199 (E_RNA) where: Base-Base interactions energy: -94.177 where: short stacking energy: -94.477 Base-Backbone interact. energy: -0.402 local terms energy: -91.361582 where: bonds (distance) C4'-P energy: -17.748 bonds (distance) P-C4' energy: -16.024 flat angles C4'-P-C4' energy: -20.340 flat angles P-C4'-P energy: -13.929 tors. eta vs tors. theta energy: -23.321 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: 2 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -151.369050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.369050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.369050 (E_RNA) where: Base-Base interactions energy: -82.073 where: short stacking energy: -82.373 Base-Backbone interact. energy: 0.630 local terms energy: -69.925654 where: bonds (distance) C4'-P energy: -8.784 bonds (distance) P-C4' energy: -17.828 flat angles C4'-P-C4' energy: -15.333 flat angles P-C4'-P energy: -13.425 tors. eta vs tors. theta energy: -14.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -141.117238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.117238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.117238 (E_RNA) where: Base-Base interactions energy: -72.685 where: short stacking energy: -72.685 Base-Backbone interact. energy: 1.224 local terms energy: -69.656715 where: bonds (distance) C4'-P energy: -16.511 bonds (distance) P-C4' energy: -18.464 flat angles C4'-P-C4' energy: -14.411 flat angles P-C4'-P energy: -9.548 tors. eta vs tors. theta energy: -10.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -116.034782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.034782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.034782 (E_RNA) where: Base-Base interactions energy: -51.696 where: short stacking energy: -51.696 Base-Backbone interact. energy: -0.153 local terms energy: -64.185600 where: bonds (distance) C4'-P energy: -17.110 bonds (distance) P-C4' energy: -14.092 flat angles C4'-P-C4' energy: -15.997 flat angles P-C4'-P energy: -13.821 tors. eta vs tors. theta energy: -3.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -106.900301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.900301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.900301 (E_RNA) where: Base-Base interactions energy: -50.953 where: short stacking energy: -50.729 Base-Backbone interact. energy: -0.714 local terms energy: -55.232978 where: bonds (distance) C4'-P energy: -15.218 bonds (distance) P-C4' energy: -10.756 flat angles C4'-P-C4' energy: -15.077 flat angles P-C4'-P energy: -5.065 tors. eta vs tors. theta energy: -9.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -216.754211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.754211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.754211 (E_RNA) where: Base-Base interactions energy: -117.353 where: short stacking energy: -117.353 Base-Backbone interact. energy: -0.000 local terms energy: -99.401432 where: bonds (distance) C4'-P energy: -18.274 bonds (distance) P-C4' energy: -20.061 flat angles C4'-P-C4' energy: -18.294 flat angles P-C4'-P energy: -14.622 tors. eta vs tors. theta energy: -28.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -204.579812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.579812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.579812 (E_RNA) where: Base-Base interactions energy: -112.574 where: short stacking energy: -112.574 Base-Backbone interact. energy: -0.024 local terms energy: -91.981913 where: bonds (distance) C4'-P energy: -19.346 bonds (distance) P-C4' energy: -16.143 flat angles C4'-P-C4' energy: -20.050 flat angles P-C4'-P energy: -10.360 tors. eta vs tors. theta energy: -26.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -203.283954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.283954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.283954 (E_RNA) where: Base-Base interactions energy: -109.140 where: short stacking energy: -109.140 Base-Backbone interact. energy: -0.076 local terms energy: -94.068445 where: bonds (distance) C4'-P energy: -17.111 bonds (distance) P-C4' energy: -16.929 flat angles C4'-P-C4' energy: -19.466 flat angles P-C4'-P energy: -14.122 tors. eta vs tors. theta energy: -26.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -168.802638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.802638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.802638 (E_RNA) where: Base-Base interactions energy: -82.740 where: short stacking energy: -82.740 Base-Backbone interact. energy: -0.008 local terms energy: -86.054169 where: bonds (distance) C4'-P energy: -15.532 bonds (distance) P-C4' energy: -18.465 flat angles C4'-P-C4' energy: -22.655 flat angles P-C4'-P energy: -12.261 tors. eta vs tors. theta energy: -17.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -170.817805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.817805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.817805 (E_RNA) where: Base-Base interactions energy: -86.561 where: short stacking energy: -86.561 Base-Backbone interact. energy: -0.001 local terms energy: -84.256139 where: bonds (distance) C4'-P energy: -13.936 bonds (distance) P-C4' energy: -19.869 flat angles C4'-P-C4' energy: -18.334 flat angles P-C4'-P energy: -15.807 tors. eta vs tors. theta energy: -16.311 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: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -156.809222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.809222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.809222 (E_RNA) where: Base-Base interactions energy: -72.971 where: short stacking energy: -72.971 Base-Backbone interact. energy: -0.006 local terms energy: -83.832001 where: bonds (distance) C4'-P energy: -18.560 bonds (distance) P-C4' energy: -20.619 flat angles C4'-P-C4' energy: -17.387 flat angles P-C4'-P energy: -10.032 tors. eta vs tors. theta energy: -17.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -140.537936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.537936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.537936 (E_RNA) where: Base-Base interactions energy: -71.956 where: short stacking energy: -71.956 Base-Backbone interact. energy: -0.208 local terms energy: -68.373617 where: bonds (distance) C4'-P energy: -16.529 bonds (distance) P-C4' energy: -12.882 flat angles C4'-P-C4' energy: -18.511 flat angles P-C4'-P energy: -7.410 tors. eta vs tors. theta energy: -13.042 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: 40 Temperature: 1.250000 Total energy: -131.387091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.387091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.387091 (E_RNA) where: Base-Base interactions energy: -61.017 where: short stacking energy: -61.017 Base-Backbone interact. energy: -0.151 local terms energy: -70.218726 where: bonds (distance) C4'-P energy: -15.312 bonds (distance) P-C4' energy: -15.599 flat angles C4'-P-C4' energy: -19.030 flat angles P-C4'-P energy: -7.620 tors. eta vs tors. theta energy: -12.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -127.260317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.260317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.260317 (E_RNA) where: Base-Base interactions energy: -62.388 where: short stacking energy: -62.531 Base-Backbone interact. energy: -0.188 local terms energy: -64.684095 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -16.669 flat angles C4'-P-C4' energy: -18.317 flat angles P-C4'-P energy: -7.859 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: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -94.874444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.874444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.874444 (E_RNA) where: Base-Base interactions energy: -45.543 where: short stacking energy: -45.543 Base-Backbone interact. energy: -0.264 local terms energy: -49.067719 where: bonds (distance) C4'-P energy: -11.682 bonds (distance) P-C4' energy: -15.801 flat angles C4'-P-C4' energy: -8.479 flat angles P-C4'-P energy: -5.615 tors. eta vs tors. theta energy: -7.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -219.283313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.283313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.283313 (E_RNA) where: Base-Base interactions energy: -121.824 where: short stacking energy: -121.824 Base-Backbone interact. energy: -0.000 local terms energy: -97.458448 where: bonds (distance) C4'-P energy: -19.391 bonds (distance) P-C4' energy: -18.010 flat angles C4'-P-C4' energy: -19.477 flat angles P-C4'-P energy: -11.575 tors. eta vs tors. theta energy: -29.005 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: 3 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -203.234515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.234515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.234515 (E_RNA) where: Base-Base interactions energy: -112.896 where: short stacking energy: -112.896 Base-Backbone interact. energy: -0.019 local terms energy: -90.319670 where: bonds (distance) C4'-P energy: -17.742 bonds (distance) P-C4' energy: -18.577 flat angles C4'-P-C4' energy: -17.751 flat angles P-C4'-P energy: -9.932 tors. eta vs tors. theta energy: -26.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -182.696741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.696741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.696741 (E_RNA) where: Base-Base interactions energy: -92.968 where: short stacking energy: -92.968 Base-Backbone interact. energy: -0.129 local terms energy: -89.599931 where: bonds (distance) C4'-P energy: -16.922 bonds (distance) P-C4' energy: -15.335 flat angles C4'-P-C4' energy: -19.211 flat angles P-C4'-P energy: -16.385 tors. eta vs tors. theta energy: -21.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -169.775136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.775136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.775136 (E_RNA) where: Base-Base interactions energy: -88.776 where: short stacking energy: -88.776 Base-Backbone interact. energy: -0.063 local terms energy: -80.936472 where: bonds (distance) C4'-P energy: -14.205 bonds (distance) P-C4' energy: -21.504 flat angles C4'-P-C4' energy: -17.635 flat angles P-C4'-P energy: -10.245 tors. eta vs tors. theta energy: -17.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -159.659757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.659757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.659757 (E_RNA) where: Base-Base interactions energy: -79.424 where: short stacking energy: -79.424 Base-Backbone interact. energy: -0.042 local terms energy: -80.193749 where: bonds (distance) C4'-P energy: -12.502 bonds (distance) P-C4' energy: -19.936 flat angles C4'-P-C4' energy: -19.072 flat angles P-C4'-P energy: -14.755 tors. eta vs tors. theta energy: -13.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -132.688111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.688111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.688111 (E_RNA) where: Base-Base interactions energy: -69.765 where: short stacking energy: -69.765 Base-Backbone interact. energy: -1.224 local terms energy: -61.699384 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -19.994 flat angles C4'-P-C4' energy: -12.664 flat angles P-C4'-P energy: -8.743 tors. eta vs tors. theta energy: -9.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -149.429364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.429364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.429364 (E_RNA) where: Base-Base interactions energy: -76.828 where: short stacking energy: -76.828 Base-Backbone interact. energy: -0.058 local terms energy: -72.543500 where: bonds (distance) C4'-P energy: -15.020 bonds (distance) P-C4' energy: -17.390 flat angles C4'-P-C4' energy: -17.805 flat angles P-C4'-P energy: -11.676 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: 8, replica: 9 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -137.138355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.138355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.138355 (E_RNA) where: Base-Base interactions energy: -64.333 where: short stacking energy: -64.333 Base-Backbone interact. energy: -0.252 local terms energy: -72.553370 where: bonds (distance) C4'-P energy: -16.004 bonds (distance) P-C4' energy: -17.209 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -13.102 tors. eta vs tors. theta energy: -11.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -122.248181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.248181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.248181 (E_RNA) where: Base-Base interactions energy: -56.701 where: short stacking energy: -56.701 Base-Backbone interact. energy: -1.015 local terms energy: -64.531615 where: bonds (distance) C4'-P energy: -14.389 bonds (distance) P-C4' energy: -14.264 flat angles C4'-P-C4' energy: -16.457 flat angles P-C4'-P energy: -10.068 tors. eta vs tors. theta energy: -9.354 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: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -101.122938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.122938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.122938 (E_RNA) where: Base-Base interactions energy: -40.651 where: short stacking energy: -40.651 Base-Backbone interact. energy: -0.285 local terms energy: -60.187305 where: bonds (distance) C4'-P energy: -18.534 bonds (distance) P-C4' energy: -18.176 flat angles C4'-P-C4' energy: -12.239 flat angles P-C4'-P energy: -8.130 tors. eta vs tors. theta energy: -3.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -219.531704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.531704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.531704 (E_RNA) where: Base-Base interactions energy: -122.976 where: short stacking energy: -122.976 Base-Backbone interact. energy: -0.050 local terms energy: -96.506128 where: bonds (distance) C4'-P energy: -14.415 bonds (distance) P-C4' energy: -20.669 flat angles C4'-P-C4' energy: -21.320 flat angles P-C4'-P energy: -13.747 tors. eta vs tors. theta energy: -26.354 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: 2, replica: 7 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -218.254578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.254578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.254578 (E_RNA) where: Base-Base interactions energy: -119.639 where: short stacking energy: -119.639 Base-Backbone interact. energy: -0.002 local terms energy: -98.614022 where: bonds (distance) C4'-P energy: -15.726 bonds (distance) P-C4' energy: -19.647 flat angles C4'-P-C4' energy: -21.563 flat angles P-C4'-P energy: -14.219 tors. eta vs tors. theta energy: -27.459 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: 42 Temperature: 1.000000 Total energy: -195.444597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.444597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.444597 (E_RNA) where: Base-Base interactions energy: -104.492 where: short stacking energy: -103.659 Base-Backbone interact. energy: 2.024 local terms energy: -92.976003 where: bonds (distance) C4'-P energy: -13.924 bonds (distance) P-C4' energy: -21.665 flat angles C4'-P-C4' energy: -18.246 flat angles P-C4'-P energy: -15.214 tors. eta vs tors. theta energy: -23.927 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: 1 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -161.632735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.632735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.632735 (E_RNA) where: Base-Base interactions energy: -84.918 where: short stacking energy: -80.740 Base-Backbone interact. energy: -0.035 local terms energy: -76.680023 where: bonds (distance) C4'-P energy: -16.995 bonds (distance) P-C4' energy: -15.556 flat angles C4'-P-C4' energy: -19.723 flat angles P-C4'-P energy: -9.557 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: 5, replica: 2 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -155.909743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.909743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.909743 (E_RNA) where: Base-Base interactions energy: -76.608 where: short stacking energy: -76.608 Base-Backbone interact. energy: -0.004 local terms energy: -79.297387 where: bonds (distance) C4'-P energy: -16.431 bonds (distance) P-C4' energy: -20.200 flat angles C4'-P-C4' energy: -16.768 flat angles P-C4'-P energy: -13.602 tors. eta vs tors. theta energy: -12.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -159.799057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.799057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.799057 (E_RNA) where: Base-Base interactions energy: -80.656 where: short stacking energy: -81.395 Base-Backbone interact. energy: -0.059 local terms energy: -79.084571 where: bonds (distance) C4'-P energy: -15.848 bonds (distance) P-C4' energy: -18.790 flat angles C4'-P-C4' energy: -19.326 flat angles P-C4'-P energy: -12.057 tors. eta vs tors. theta energy: -13.063 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: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -143.863505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.863505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.863505 (E_RNA) where: Base-Base interactions energy: -69.747 where: short stacking energy: -69.747 Base-Backbone interact. energy: -0.562 local terms energy: -73.554807 where: bonds (distance) C4'-P energy: -17.942 bonds (distance) P-C4' energy: -13.565 flat angles C4'-P-C4' energy: -19.953 flat angles P-C4'-P energy: -12.449 tors. eta vs tors. theta energy: -9.646 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: 42 Temperature: 1.250000 Total energy: -144.566640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.566640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.566640 (E_RNA) where: Base-Base interactions energy: -72.569 where: short stacking energy: -72.569 Base-Backbone interact. energy: -0.021 local terms energy: -71.976519 where: bonds (distance) C4'-P energy: -14.753 bonds (distance) P-C4' energy: -15.805 flat angles C4'-P-C4' energy: -18.176 flat angles P-C4'-P energy: -7.686 tors. eta vs tors. theta energy: -15.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -128.438455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.438455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.438455 (E_RNA) where: Base-Base interactions energy: -63.825 where: short stacking energy: -63.675 Base-Backbone interact. energy: -0.037 local terms energy: -64.575795 where: bonds (distance) C4'-P energy: -15.131 bonds (distance) P-C4' energy: -16.513 flat angles C4'-P-C4' energy: -15.116 flat angles P-C4'-P energy: -9.218 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: 10, replica: 4 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -112.579694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.579694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.579694 (E_RNA) where: Base-Base interactions energy: -53.097 where: short stacking energy: -53.097 Base-Backbone interact. energy: -0.079 local terms energy: -59.403804 where: bonds (distance) C4'-P energy: -13.607 bonds (distance) P-C4' energy: -15.728 flat angles C4'-P-C4' energy: -13.837 flat angles P-C4'-P energy: -8.680 tors. eta vs tors. theta energy: -7.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -211.348374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.348374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.348374 (E_RNA) where: Base-Base interactions energy: -111.593 where: short stacking energy: -111.593 Base-Backbone interact. energy: -0.083 local terms energy: -99.672290 where: bonds (distance) C4'-P energy: -17.839 bonds (distance) P-C4' energy: -19.997 flat angles C4'-P-C4' energy: -21.734 flat angles P-C4'-P energy: -13.184 tors. eta vs tors. theta energy: -26.919 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: 7 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -206.030531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.030531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.030531 (E_RNA) where: Base-Base interactions energy: -111.357 where: short stacking energy: -111.357 Base-Backbone interact. energy: -0.000 local terms energy: -94.673482 where: bonds (distance) C4'-P energy: -18.133 bonds (distance) P-C4' energy: -16.441 flat angles C4'-P-C4' energy: -18.704 flat angles P-C4'-P energy: -12.704 tors. eta vs tors. theta energy: -28.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -184.186201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.186201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.186201 (E_RNA) where: Base-Base interactions energy: -94.195 where: short stacking energy: -94.195 Base-Backbone interact. energy: -0.101 local terms energy: -89.889752 where: bonds (distance) C4'-P energy: -15.654 bonds (distance) P-C4' energy: -21.314 flat angles C4'-P-C4' energy: -16.244 flat angles P-C4'-P energy: -12.820 tors. eta vs tors. theta energy: -23.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -170.158773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.158773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.158773 (E_RNA) where: Base-Base interactions energy: -81.542 where: short stacking energy: -81.542 Base-Backbone interact. energy: -0.599 local terms energy: -88.018014 where: bonds (distance) C4'-P energy: -16.916 bonds (distance) P-C4' energy: -21.793 flat angles C4'-P-C4' energy: -15.458 flat angles P-C4'-P energy: -14.338 tors. eta vs tors. theta energy: -19.513 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: 2 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -158.590975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.590975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.590975 (E_RNA) where: Base-Base interactions energy: -82.312 where: short stacking energy: -82.312 Base-Backbone interact. energy: -0.212 local terms energy: -76.066668 where: bonds (distance) C4'-P energy: -15.227 bonds (distance) P-C4' energy: -21.479 flat angles C4'-P-C4' energy: -17.446 flat angles P-C4'-P energy: -8.446 tors. eta vs tors. theta energy: -13.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -158.699602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.699602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.699602 (E_RNA) where: Base-Base interactions energy: -81.006 where: short stacking energy: -81.006 Base-Backbone interact. energy: -0.001 local terms energy: -77.692990 where: bonds (distance) C4'-P energy: -17.006 bonds (distance) P-C4' energy: -20.842 flat angles C4'-P-C4' energy: -12.122 flat angles P-C4'-P energy: -10.084 tors. eta vs tors. theta energy: -17.638 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: 7, replica: 8 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -140.820272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.820272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.820272 (E_RNA) where: Base-Base interactions energy: -73.331 where: short stacking energy: -73.331 Base-Backbone interact. energy: -0.378 local terms energy: -67.110534 where: bonds (distance) C4'-P energy: -15.657 bonds (distance) P-C4' energy: -10.880 flat angles C4'-P-C4' energy: -16.281 flat angles P-C4'-P energy: -8.935 tors. eta vs tors. theta energy: -15.358 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: 43 Temperature: 1.250000 Total energy: -146.566531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.566531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.566531 (E_RNA) where: Base-Base interactions energy: -71.563 where: short stacking energy: -71.170 Base-Backbone interact. energy: 1.990 local terms energy: -76.993293 where: bonds (distance) C4'-P energy: -19.918 bonds (distance) P-C4' energy: -18.115 flat angles C4'-P-C4' energy: -15.265 flat angles P-C4'-P energy: -9.037 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: 9, replica: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -108.111320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.111320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.111320 (E_RNA) where: Base-Base interactions energy: -42.631 where: short stacking energy: -42.133 Base-Backbone interact. energy: -0.412 local terms energy: -65.069058 where: bonds (distance) C4'-P energy: -17.690 bonds (distance) P-C4' energy: -16.522 flat angles C4'-P-C4' energy: -10.235 flat angles P-C4'-P energy: -7.121 tors. eta vs tors. theta energy: -13.501 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: 4 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -122.518827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.518827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.518827 (E_RNA) where: Base-Base interactions energy: -57.954 where: short stacking energy: -56.191 Base-Backbone interact. energy: -0.029 local terms energy: -64.535312 where: bonds (distance) C4'-P energy: -19.582 bonds (distance) P-C4' energy: -15.889 flat angles C4'-P-C4' energy: -16.947 flat angles P-C4'-P energy: -5.724 tors. eta vs tors. theta energy: -6.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -198.542519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.542519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.542519 (E_RNA) where: Base-Base interactions energy: -106.648 where: short stacking energy: -106.648 Base-Backbone interact. energy: -0.006 local terms energy: -91.888277 where: bonds (distance) C4'-P energy: -18.308 bonds (distance) P-C4' energy: -13.644 flat angles C4'-P-C4' energy: -21.111 flat angles P-C4'-P energy: -14.357 tors. eta vs tors. theta energy: -24.468 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: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -201.865777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.865777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.865777 (E_RNA) where: Base-Base interactions energy: -110.323 where: short stacking energy: -110.323 Base-Backbone interact. energy: -0.008 local terms energy: -91.534742 where: bonds (distance) C4'-P energy: -19.478 bonds (distance) P-C4' energy: -19.847 flat angles C4'-P-C4' energy: -17.564 flat angles P-C4'-P energy: -10.921 tors. eta vs tors. theta energy: -23.724 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: 5 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -183.811181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.811181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.811181 (E_RNA) where: Base-Base interactions energy: -95.317 where: short stacking energy: -94.692 Base-Backbone interact. energy: -0.020 local terms energy: -88.474159 where: bonds (distance) C4'-P energy: -16.905 bonds (distance) P-C4' energy: -19.962 flat angles C4'-P-C4' energy: -20.525 flat angles P-C4'-P energy: -13.123 tors. eta vs tors. theta energy: -17.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -173.320657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.320657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.320657 (E_RNA) where: Base-Base interactions energy: -94.286 where: short stacking energy: -94.286 Base-Backbone interact. energy: -0.141 local terms energy: -78.893377 where: bonds (distance) C4'-P energy: -15.689 bonds (distance) P-C4' energy: -15.528 flat angles C4'-P-C4' energy: -14.869 flat angles P-C4'-P energy: -13.347 tors. eta vs tors. theta energy: -19.460 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: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -150.111945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.111945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.111945 (E_RNA) where: Base-Base interactions energy: -79.025 where: short stacking energy: -79.025 Base-Backbone interact. energy: -0.276 local terms energy: -70.811584 where: bonds (distance) C4'-P energy: -14.349 bonds (distance) P-C4' energy: -16.611 flat angles C4'-P-C4' energy: -17.280 flat angles P-C4'-P energy: -9.104 tors. eta vs tors. theta energy: -13.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -158.377667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.377667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.377667 (E_RNA) where: Base-Base interactions energy: -78.410 where: short stacking energy: -78.410 Base-Backbone interact. energy: -0.176 local terms energy: -79.792111 where: bonds (distance) C4'-P energy: -10.938 bonds (distance) P-C4' energy: -20.436 flat angles C4'-P-C4' energy: -17.554 flat angles P-C4'-P energy: -15.454 tors. eta vs tors. theta energy: -15.410 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: 7, replica: 10 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -129.136825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.136825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.136825 (E_RNA) where: Base-Base interactions energy: -60.463 where: short stacking energy: -60.463 Base-Backbone interact. energy: -0.103 local terms energy: -68.571010 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -18.221 flat angles C4'-P-C4' energy: -19.040 flat angles P-C4'-P energy: -8.533 tors. eta vs tors. theta energy: -9.770 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: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -130.027707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.027707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.027707 (E_RNA) where: Base-Base interactions energy: -60.785 where: short stacking energy: -60.785 Base-Backbone interact. energy: 0.306 local terms energy: -69.549237 where: bonds (distance) C4'-P energy: -16.534 bonds (distance) P-C4' energy: -19.256 flat angles C4'-P-C4' energy: -17.194 flat angles P-C4'-P energy: -7.780 tors. eta vs tors. theta energy: -8.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -112.173739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.173739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.173739 (E_RNA) where: Base-Base interactions energy: -54.478 where: short stacking energy: -54.478 Base-Backbone interact. energy: 1.317 local terms energy: -59.013054 where: bonds (distance) C4'-P energy: -15.807 bonds (distance) P-C4' energy: -16.687 flat angles C4'-P-C4' energy: -17.341 flat angles P-C4'-P energy: -6.133 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -118.135548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.135548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.135548 (E_RNA) where: Base-Base interactions energy: -52.581 where: short stacking energy: -52.581 Base-Backbone interact. energy: -0.167 local terms energy: -65.387211 where: bonds (distance) C4'-P energy: -17.483 bonds (distance) P-C4' energy: -20.076 flat angles C4'-P-C4' energy: -11.364 flat angles P-C4'-P energy: -14.110 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: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -206.321303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.321303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.321303 (E_RNA) where: Base-Base interactions energy: -108.035 where: short stacking energy: -108.035 Base-Backbone interact. energy: -0.001 local terms energy: -98.285231 where: bonds (distance) C4'-P energy: -19.494 bonds (distance) P-C4' energy: -20.936 flat angles C4'-P-C4' energy: -16.179 flat angles P-C4'-P energy: -15.743 tors. eta vs tors. theta energy: -25.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -199.117073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.117073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.117073 (E_RNA) where: Base-Base interactions energy: -101.549 where: short stacking energy: -101.549 Base-Backbone interact. energy: -0.021 local terms energy: -97.546908 where: bonds (distance) C4'-P energy: -21.971 bonds (distance) P-C4' energy: -19.706 flat angles C4'-P-C4' energy: -20.883 flat angles P-C4'-P energy: -11.312 tors. eta vs tors. theta energy: -23.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -184.686724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.686724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.686724 (E_RNA) where: Base-Base interactions energy: -95.460 where: short stacking energy: -95.460 Base-Backbone interact. energy: -0.017 local terms energy: -89.209573 where: bonds (distance) C4'-P energy: -16.496 bonds (distance) P-C4' energy: -20.735 flat angles C4'-P-C4' energy: -18.925 flat angles P-C4'-P energy: -11.681 tors. eta vs tors. theta energy: -21.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -166.459709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.459709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.459709 (E_RNA) where: Base-Base interactions energy: -84.941 where: short stacking energy: -84.941 Base-Backbone interact. energy: -0.161 local terms energy: -81.358225 where: bonds (distance) C4'-P energy: -14.708 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -19.431 flat angles P-C4'-P energy: -13.408 tors. eta vs tors. theta energy: -18.535 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: 1 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -151.437768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.437768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.437768 (E_RNA) where: Base-Base interactions energy: -80.568 where: short stacking energy: -80.568 Base-Backbone interact. energy: -0.093 local terms energy: -70.776529 where: bonds (distance) C4'-P energy: -14.339 bonds (distance) P-C4' energy: -19.592 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -11.222 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: 6, replica: 2 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -170.407192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.407192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.407192 (E_RNA) where: Base-Base interactions energy: -91.697 where: short stacking energy: -91.697 Base-Backbone interact. energy: -0.003 local terms energy: -78.707547 where: bonds (distance) C4'-P energy: -15.358 bonds (distance) P-C4' energy: -16.443 flat angles C4'-P-C4' energy: -20.944 flat angles P-C4'-P energy: -9.806 tors. eta vs tors. theta energy: -16.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -153.320637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.320637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.320637 (E_RNA) where: Base-Base interactions energy: -79.305 where: short stacking energy: -79.305 Base-Backbone interact. energy: -0.032 local terms energy: -73.983186 where: bonds (distance) C4'-P energy: -13.277 bonds (distance) P-C4' energy: -18.973 flat angles C4'-P-C4' energy: -12.860 flat angles P-C4'-P energy: -14.333 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: 8, replica: 4 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -124.061820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.061820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.061820 (E_RNA) where: Base-Base interactions energy: -63.680 where: short stacking energy: -64.223 Base-Backbone interact. energy: -0.015 local terms energy: -60.366493 where: bonds (distance) C4'-P energy: -18.878 bonds (distance) P-C4' energy: -12.904 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -6.248 tors. eta vs tors. theta energy: -9.415 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: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -131.985838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.985838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.985838 (E_RNA) where: Base-Base interactions energy: -61.465 where: short stacking energy: -61.465 Base-Backbone interact. energy: -0.101 local terms energy: -70.419956 where: bonds (distance) C4'-P energy: -18.042 bonds (distance) P-C4' energy: -14.983 flat angles C4'-P-C4' energy: -19.098 flat angles P-C4'-P energy: -10.360 tors. eta vs tors. theta energy: -7.936 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: 45 Temperature: 1.350000 Total energy: -103.809416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.809416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.809416 (E_RNA) where: Base-Base interactions energy: -49.556 where: short stacking energy: -48.412 Base-Backbone interact. energy: -0.167 local terms energy: -54.086351 where: bonds (distance) C4'-P energy: -16.092 bonds (distance) P-C4' energy: -16.394 flat angles C4'-P-C4' energy: -17.973 flat angles P-C4'-P energy: -1.659 tors. eta vs tors. theta energy: -1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -225.543604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.543604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.543604 (E_RNA) where: Base-Base interactions energy: -124.475 where: short stacking energy: -124.475 Base-Backbone interact. energy: -0.174 local terms energy: -100.894601 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -20.068 flat angles C4'-P-C4' energy: -21.367 flat angles P-C4'-P energy: -17.928 tors. eta vs tors. theta energy: -29.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -213.460954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.460954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.460954 (E_RNA) where: Base-Base interactions energy: -116.631 where: short stacking energy: -116.631 Base-Backbone interact. energy: -0.000 local terms energy: -96.829486 where: bonds (distance) C4'-P energy: -17.114 bonds (distance) P-C4' energy: -21.479 flat angles C4'-P-C4' energy: -19.502 flat angles P-C4'-P energy: -11.143 tors. eta vs tors. theta energy: -27.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -174.124552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.124552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.124552 (E_RNA) where: Base-Base interactions energy: -89.595 where: short stacking energy: -89.595 Base-Backbone interact. energy: -0.096 local terms energy: -84.433695 where: bonds (distance) C4'-P energy: -17.818 bonds (distance) P-C4' energy: -16.218 flat angles C4'-P-C4' energy: -16.369 flat angles P-C4'-P energy: -12.747 tors. eta vs tors. theta energy: -21.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -195.491635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.491635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.491635 (E_RNA) where: Base-Base interactions energy: -110.167 where: short stacking energy: -110.167 Base-Backbone interact. energy: -0.008 local terms energy: -85.316736 where: bonds (distance) C4'-P energy: -18.327 bonds (distance) P-C4' energy: -14.067 flat angles C4'-P-C4' energy: -17.977 flat angles P-C4'-P energy: -12.507 tors. eta vs tors. theta energy: -22.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -165.175330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.175330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.175330 (E_RNA) where: Base-Base interactions energy: -89.574 where: short stacking energy: -87.646 Base-Backbone interact. energy: -0.079 local terms energy: -75.522129 where: bonds (distance) C4'-P energy: -14.895 bonds (distance) P-C4' energy: -19.560 flat angles C4'-P-C4' energy: -18.509 flat angles P-C4'-P energy: -5.389 tors. eta vs tors. theta energy: -17.170 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: 1 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -164.493745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.493745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.493745 (E_RNA) where: Base-Base interactions energy: -87.639 where: short stacking energy: -87.639 Base-Backbone interact. energy: -0.025 local terms energy: -76.829537 where: bonds (distance) C4'-P energy: -18.472 bonds (distance) P-C4' energy: -16.559 flat angles C4'-P-C4' energy: -17.657 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -19.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -132.484259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.484259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.484259 (E_RNA) where: Base-Base interactions energy: -61.923 where: short stacking energy: -61.923 Base-Backbone interact. energy: -0.030 local terms energy: -70.531240 where: bonds (distance) C4'-P energy: -15.930 bonds (distance) P-C4' energy: -19.869 flat angles C4'-P-C4' energy: -16.980 flat angles P-C4'-P energy: -11.300 tors. eta vs tors. theta energy: -6.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -121.584324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.584324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.584324 (E_RNA) where: Base-Base interactions energy: -56.462 where: short stacking energy: -56.462 Base-Backbone interact. energy: -0.111 local terms energy: -65.011070 where: bonds (distance) C4'-P energy: -16.040 bonds (distance) P-C4' energy: -17.969 flat angles C4'-P-C4' energy: -11.274 flat angles P-C4'-P energy: -10.549 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: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -137.189913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.189913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.189913 (E_RNA) where: Base-Base interactions energy: -65.962 where: short stacking energy: -65.565 Base-Backbone interact. energy: -0.049 local terms energy: -71.178850 where: bonds (distance) C4'-P energy: -16.096 bonds (distance) P-C4' energy: -14.716 flat angles C4'-P-C4' energy: -18.449 flat angles P-C4'-P energy: -10.276 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: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -109.562899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.562899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.562899 (E_RNA) where: Base-Base interactions energy: -49.147 where: short stacking energy: -49.147 Base-Backbone interact. energy: -0.055 local terms energy: -60.360645 where: bonds (distance) C4'-P energy: -13.098 bonds (distance) P-C4' energy: -12.291 flat angles C4'-P-C4' energy: -22.217 flat angles P-C4'-P energy: -7.555 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: 1, replica: 7 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -216.944331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.944331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.944331 (E_RNA) where: Base-Base interactions energy: -120.173 where: short stacking energy: -120.173 Base-Backbone interact. energy: -0.263 local terms energy: -96.507958 where: bonds (distance) C4'-P energy: -17.404 bonds (distance) P-C4' energy: -21.314 flat angles C4'-P-C4' energy: -19.374 flat angles P-C4'-P energy: -12.264 tors. eta vs tors. theta energy: -26.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -198.313269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.313269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.313269 (E_RNA) where: Base-Base interactions energy: -111.148 where: short stacking energy: -111.148 Base-Backbone interact. energy: -0.001 local terms energy: -87.164474 where: bonds (distance) C4'-P energy: -17.321 bonds (distance) P-C4' energy: -14.078 flat angles C4'-P-C4' energy: -18.146 flat angles P-C4'-P energy: -10.133 tors. eta vs tors. theta energy: -27.486 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: 5 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -192.225475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.225475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.225475 (E_RNA) where: Base-Base interactions energy: -103.308 where: short stacking energy: -103.308 Base-Backbone interact. energy: -0.014 local terms energy: -88.903355 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -17.078 flat angles C4'-P-C4' energy: -20.111 flat angles P-C4'-P energy: -15.890 tors. eta vs tors. theta energy: -23.060 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: 2 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -182.161364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.161364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.161364 (E_RNA) where: Base-Base interactions energy: -93.334 where: short stacking energy: -93.334 Base-Backbone interact. energy: -0.113 local terms energy: -88.714059 where: bonds (distance) C4'-P energy: -16.286 bonds (distance) P-C4' energy: -19.167 flat angles C4'-P-C4' energy: -19.361 flat angles P-C4'-P energy: -14.835 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: 5, replica: 6 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -179.794318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.794318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.794318 (E_RNA) where: Base-Base interactions energy: -96.738 where: short stacking energy: -96.738 Base-Backbone interact. energy: -0.040 local terms energy: -83.016144 where: bonds (distance) C4'-P energy: -13.202 bonds (distance) P-C4' energy: -19.797 flat angles C4'-P-C4' energy: -15.164 flat angles P-C4'-P energy: -14.237 tors. eta vs tors. theta energy: -20.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -141.192138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.192138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.192138 (E_RNA) where: Base-Base interactions energy: -83.535 where: short stacking energy: -83.535 Base-Backbone interact. energy: 2.158 local terms energy: -59.814742 where: bonds (distance) C4'-P energy: -13.933 bonds (distance) P-C4' energy: -18.387 flat angles C4'-P-C4' energy: -10.857 flat angles P-C4'-P energy: -9.364 tors. eta vs tors. theta energy: -7.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -136.654822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.654822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.654822 (E_RNA) where: Base-Base interactions energy: -62.482 where: short stacking energy: -62.442 Base-Backbone interact. energy: -0.344 local terms energy: -73.828354 where: bonds (distance) C4'-P energy: -20.750 bonds (distance) P-C4' energy: -19.890 flat angles C4'-P-C4' energy: -15.131 flat angles P-C4'-P energy: -8.336 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: 8, replica: 9 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -152.592311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.592311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.592311 (E_RNA) where: Base-Base interactions energy: -79.790 where: short stacking energy: -79.790 Base-Backbone interact. energy: -0.713 local terms energy: -72.089753 where: bonds (distance) C4'-P energy: -11.513 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -18.620 flat angles P-C4'-P energy: -10.103 tors. eta vs tors. theta energy: -17.490 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: 47 Temperature: 1.300000 Total energy: -119.382089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.382089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.382089 (E_RNA) where: Base-Base interactions energy: -59.869 where: short stacking energy: -58.368 Base-Backbone interact. energy: -0.170 local terms energy: -59.343094 where: bonds (distance) C4'-P energy: -12.275 bonds (distance) P-C4' energy: -21.994 flat angles C4'-P-C4' energy: -15.401 flat angles P-C4'-P energy: -3.645 tors. eta vs tors. theta energy: -6.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -107.536391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.536391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.536391 (E_RNA) where: Base-Base interactions energy: -39.681 where: short stacking energy: -39.681 Base-Backbone interact. energy: -0.080 local terms energy: -67.775429 where: bonds (distance) C4'-P energy: -16.663 bonds (distance) P-C4' energy: -20.341 flat angles C4'-P-C4' energy: -17.750 flat angles P-C4'-P energy: -10.995 tors. eta vs tors. theta energy: -2.027 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: 3 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -212.004702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.004702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.004702 (E_RNA) where: Base-Base interactions energy: -116.741 where: short stacking energy: -116.741 Base-Backbone interact. energy: 0.027 local terms energy: -95.290353 where: bonds (distance) C4'-P energy: -17.587 bonds (distance) P-C4' energy: -16.342 flat angles C4'-P-C4' energy: -18.020 flat angles P-C4'-P energy: -17.174 tors. eta vs tors. theta energy: -26.168 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: 7 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -207.912963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.912963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.912963 (E_RNA) where: Base-Base interactions energy: -112.289 where: short stacking energy: -112.289 Base-Backbone interact. energy: -0.004 local terms energy: -95.620477 where: bonds (distance) C4'-P energy: -20.194 bonds (distance) P-C4' energy: -21.494 flat angles C4'-P-C4' energy: -18.271 flat angles P-C4'-P energy: -10.830 tors. eta vs tors. theta energy: -24.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -188.513539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.513539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.513539 (E_RNA) where: Base-Base interactions energy: -101.770 where: short stacking energy: -100.278 Base-Backbone interact. energy: -0.533 local terms energy: -86.210281 where: bonds (distance) C4'-P energy: -16.212 bonds (distance) P-C4' energy: -18.762 flat angles C4'-P-C4' energy: -16.255 flat angles P-C4'-P energy: -13.880 tors. eta vs tors. theta energy: -21.101 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: 5 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -181.154452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.154452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.154452 (E_RNA) where: Base-Base interactions energy: -89.118 where: short stacking energy: -89.118 Base-Backbone interact. energy: -0.048 local terms energy: -91.988157 where: bonds (distance) C4'-P energy: -19.134 bonds (distance) P-C4' energy: -18.047 flat angles C4'-P-C4' energy: -20.526 flat angles P-C4'-P energy: -14.687 tors. eta vs tors. theta energy: -19.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -160.813003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.813003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.813003 (E_RNA) where: Base-Base interactions energy: -84.659 where: short stacking energy: -84.659 Base-Backbone interact. energy: -0.105 local terms energy: -76.049641 where: bonds (distance) C4'-P energy: -13.946 bonds (distance) P-C4' energy: -14.759 flat angles C4'-P-C4' energy: -17.891 flat angles P-C4'-P energy: -11.905 tors. eta vs tors. theta energy: -17.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -162.304350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.304350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.304350 (E_RNA) where: Base-Base interactions energy: -78.333 where: short stacking energy: -78.333 Base-Backbone interact. energy: -0.288 local terms energy: -83.684029 where: bonds (distance) C4'-P energy: -17.122 bonds (distance) P-C4' energy: -20.867 flat angles C4'-P-C4' energy: -17.500 flat angles P-C4'-P energy: -10.757 tors. eta vs tors. theta energy: -17.439 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: 9 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -149.862771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.862771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.862771 (E_RNA) where: Base-Base interactions energy: -78.017 where: short stacking energy: -78.017 Base-Backbone interact. energy: -0.001 local terms energy: -71.844707 where: bonds (distance) C4'-P energy: -14.965 bonds (distance) P-C4' energy: -16.262 flat angles C4'-P-C4' energy: -15.777 flat angles P-C4'-P energy: -8.057 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: 8, replica: 4 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -119.968154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.968154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.968154 (E_RNA) where: Base-Base interactions energy: -58.707 where: short stacking energy: -59.707 Base-Backbone interact. energy: -0.315 local terms energy: -60.945543 where: bonds (distance) C4'-P energy: -15.772 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -12.799 flat angles P-C4'-P energy: -9.451 tors. eta vs tors. theta energy: -7.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -126.608965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.608965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.608965 (E_RNA) where: Base-Base interactions energy: -64.136 where: short stacking energy: -64.136 Base-Backbone interact. energy: -0.077 local terms energy: -62.396349 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -12.389 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: 10, replica: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -114.518360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.518360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.518360 (E_RNA) where: Base-Base interactions energy: -50.635 where: short stacking energy: -50.635 Base-Backbone interact. energy: -0.594 local terms energy: -63.289737 where: bonds (distance) C4'-P energy: -17.424 bonds (distance) P-C4' energy: -16.526 flat angles C4'-P-C4' energy: -13.491 flat angles P-C4'-P energy: -8.304 tors. eta vs tors. theta energy: -7.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -222.524712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.524712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.524712 (E_RNA) where: Base-Base interactions energy: -122.078 where: short stacking energy: -122.078 Base-Backbone interact. energy: -0.000 local terms energy: -100.447083 where: bonds (distance) C4'-P energy: -16.216 bonds (distance) P-C4' energy: -22.067 flat angles C4'-P-C4' energy: -20.334 flat angles P-C4'-P energy: -11.557 tors. eta vs tors. theta energy: -30.273 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: 7 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -223.318180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.318180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.318180 (E_RNA) where: Base-Base interactions energy: -121.880 where: short stacking energy: -121.880 Base-Backbone interact. energy: -0.000 local terms energy: -101.437863 where: bonds (distance) C4'-P energy: -16.646 bonds (distance) P-C4' energy: -18.949 flat angles C4'-P-C4' energy: -20.367 flat angles P-C4'-P energy: -16.029 tors. eta vs tors. theta energy: -29.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -190.038754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.038754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.038754 (E_RNA) where: Base-Base interactions energy: -101.764 where: short stacking energy: -101.764 Base-Backbone interact. energy: -0.023 local terms energy: -88.251899 where: bonds (distance) C4'-P energy: -18.712 bonds (distance) P-C4' energy: -20.691 flat angles C4'-P-C4' energy: -14.988 flat angles P-C4'-P energy: -13.199 tors. eta vs tors. theta energy: -20.663 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: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -183.492760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.492760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.492760 (E_RNA) where: Base-Base interactions energy: -97.767 where: short stacking energy: -97.767 Base-Backbone interact. energy: -0.099 local terms energy: -85.626795 where: bonds (distance) C4'-P energy: -13.525 bonds (distance) P-C4' energy: -19.552 flat angles C4'-P-C4' energy: -19.192 flat angles P-C4'-P energy: -10.179 tors. eta vs tors. theta energy: -23.178 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: 5 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -183.794159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.794159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.794159 (E_RNA) where: Base-Base interactions energy: -96.903 where: short stacking energy: -96.400 Base-Backbone interact. energy: -0.187 local terms energy: -86.703496 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -20.464 flat angles C4'-P-C4' energy: -19.430 flat angles P-C4'-P energy: -14.107 tors. eta vs tors. theta energy: -20.127 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: 49 Temperature: 1.150000 Total energy: -163.057392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.057392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.057392 (E_RNA) where: Base-Base interactions energy: -84.186 where: short stacking energy: -84.186 Base-Backbone interact. energy: -0.117 local terms energy: -78.754452 where: bonds (distance) C4'-P energy: -18.608 bonds (distance) P-C4' energy: -16.569 flat angles C4'-P-C4' energy: -18.375 flat angles P-C4'-P energy: -7.872 tors. eta vs tors. theta energy: -17.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -136.149602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.149602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.149602 (E_RNA) where: Base-Base interactions energy: -62.931 where: short stacking energy: -62.931 Base-Backbone interact. energy: -0.177 local terms energy: -73.042003 where: bonds (distance) C4'-P energy: -18.894 bonds (distance) P-C4' energy: -16.270 flat angles C4'-P-C4' energy: -21.898 flat angles P-C4'-P energy: -10.403 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: 8 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -130.292760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.292760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.292760 (E_RNA) where: Base-Base interactions energy: -66.222 where: short stacking energy: -66.222 Base-Backbone interact. energy: -0.267 local terms energy: -63.803544 where: bonds (distance) C4'-P energy: -18.013 bonds (distance) P-C4' energy: -18.974 flat angles C4'-P-C4' energy: -11.367 flat angles P-C4'-P energy: -6.047 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: 9, replica: 4 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -132.569208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.569208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.569208 (E_RNA) where: Base-Base interactions energy: -63.223 where: short stacking energy: -63.223 Base-Backbone interact. energy: -0.567 local terms energy: -68.779383 where: bonds (distance) C4'-P energy: -12.353 bonds (distance) P-C4' energy: -20.588 flat angles C4'-P-C4' energy: -14.287 flat angles P-C4'-P energy: -13.792 tors. eta vs tors. theta energy: -7.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -120.256100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.256100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.256100 (E_RNA) where: Base-Base interactions energy: -55.752 where: short stacking energy: -54.948 Base-Backbone interact. energy: -0.106 local terms energy: -64.398893 where: bonds (distance) C4'-P energy: -11.937 bonds (distance) P-C4' energy: -15.244 flat angles C4'-P-C4' energy: -14.291 flat angles P-C4'-P energy: -11.900 tors. eta vs tors. theta energy: -11.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -225.688439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.688439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.688439 (E_RNA) where: Base-Base interactions energy: -128.255 where: short stacking energy: -128.255 Base-Backbone interact. energy: -0.001 local terms energy: -97.432744 where: bonds (distance) C4'-P energy: -16.809 bonds (distance) P-C4' energy: -16.807 flat angles C4'-P-C4' energy: -17.785 flat angles P-C4'-P energy: -14.580 tors. eta vs tors. theta energy: -31.452 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: 7 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -214.943564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.943564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.943564 (E_RNA) where: Base-Base interactions energy: -115.489 where: short stacking energy: -115.489 Base-Backbone interact. energy: -0.024 local terms energy: -99.430866 where: bonds (distance) C4'-P energy: -17.465 bonds (distance) P-C4' energy: -19.815 flat angles C4'-P-C4' energy: -20.733 flat angles P-C4'-P energy: -13.777 tors. eta vs tors. theta energy: -27.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -193.947797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.947797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.947797 (E_RNA) where: Base-Base interactions energy: -106.426 where: short stacking energy: -106.426 Base-Backbone interact. energy: -0.002 local terms energy: -87.520343 where: bonds (distance) C4'-P energy: -16.125 bonds (distance) P-C4' energy: -17.587 flat angles C4'-P-C4' energy: -15.170 flat angles P-C4'-P energy: -16.194 tors. eta vs tors. theta energy: -22.444 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: 2 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -181.615264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.615264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.615264 (E_RNA) where: Base-Base interactions energy: -98.743 where: short stacking energy: -98.743 Base-Backbone interact. energy: -0.009 local terms energy: -82.863991 where: bonds (distance) C4'-P energy: -17.866 bonds (distance) P-C4' energy: -18.032 flat angles C4'-P-C4' energy: -15.854 flat angles P-C4'-P energy: -9.413 tors. eta vs tors. theta energy: -21.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -163.843865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.843865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.843865 (E_RNA) where: Base-Base interactions energy: -85.535 where: short stacking energy: -85.535 Base-Backbone interact. energy: -0.028 local terms energy: -78.280644 where: bonds (distance) C4'-P energy: -19.680 bonds (distance) P-C4' energy: -15.055 flat angles C4'-P-C4' energy: -16.997 flat angles P-C4'-P energy: -11.869 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: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -163.790622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.790622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.790622 (E_RNA) where: Base-Base interactions energy: -81.064 where: short stacking energy: -81.064 Base-Backbone interact. energy: -0.000 local terms energy: -82.726512 where: bonds (distance) C4'-P energy: -18.895 bonds (distance) P-C4' energy: -13.668 flat angles C4'-P-C4' energy: -14.720 flat angles P-C4'-P energy: -14.618 tors. eta vs tors. theta energy: -20.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -145.904705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.904705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.904705 (E_RNA) where: Base-Base interactions energy: -70.258 where: short stacking energy: -70.258 Base-Backbone interact. energy: -0.121 local terms energy: -75.525561 where: bonds (distance) C4'-P energy: -17.918 bonds (distance) P-C4' energy: -17.215 flat angles C4'-P-C4' energy: -15.450 flat angles P-C4'-P energy: -6.218 tors. eta vs tors. theta energy: -18.725 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: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -130.245118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.245118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.245118 (E_RNA) where: Base-Base interactions energy: -62.165 where: short stacking energy: -62.165 Base-Backbone interact. energy: -0.039 local terms energy: -68.040638 where: bonds (distance) C4'-P energy: -17.582 bonds (distance) P-C4' energy: -15.977 flat angles C4'-P-C4' energy: -12.407 flat angles P-C4'-P energy: -12.452 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: 9, replica: 4 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -111.081735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.081735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.081735 (E_RNA) where: Base-Base interactions energy: -53.909 where: short stacking energy: -53.909 Base-Backbone interact. energy: -0.246 local terms energy: -56.926619 where: bonds (distance) C4'-P energy: -9.291 bonds (distance) P-C4' energy: -17.863 flat angles C4'-P-C4' energy: -17.323 flat angles P-C4'-P energy: -11.675 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -114.462587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.462587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.462587 (E_RNA) where: Base-Base interactions energy: -56.693 where: short stacking energy: -56.591 Base-Backbone interact. energy: -0.200 local terms energy: -57.569497 where: bonds (distance) C4'-P energy: -10.254 bonds (distance) P-C4' energy: -14.584 flat angles C4'-P-C4' energy: -14.604 flat angles P-C4'-P energy: -10.124 tors. eta vs tors. theta energy: -8.004 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: 51 Temperature: 0.900000 Total energy: -221.656860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.656860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.656860 (E_RNA) where: Base-Base interactions energy: -127.755 where: short stacking energy: -127.755 Base-Backbone interact. energy: -0.000 local terms energy: -93.901859 where: bonds (distance) C4'-P energy: -13.135 bonds (distance) P-C4' energy: -21.148 flat angles C4'-P-C4' energy: -19.818 flat angles P-C4'-P energy: -10.663 tors. eta vs tors. theta energy: -29.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -212.557222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.557222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.557222 (E_RNA) where: Base-Base interactions energy: -117.736 where: short stacking energy: -117.736 Base-Backbone interact. energy: -0.000 local terms energy: -94.821372 where: bonds (distance) C4'-P energy: -15.275 bonds (distance) P-C4' energy: -19.074 flat angles C4'-P-C4' energy: -21.232 flat angles P-C4'-P energy: -10.084 tors. eta vs tors. theta energy: -29.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -210.910043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.910043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.910043 (E_RNA) where: Base-Base interactions energy: -118.277 where: short stacking energy: -118.277 Base-Backbone interact. energy: -0.000 local terms energy: -92.633131 where: bonds (distance) C4'-P energy: -14.900 bonds (distance) P-C4' energy: -15.927 flat angles C4'-P-C4' energy: -20.662 flat angles P-C4'-P energy: -11.468 tors. eta vs tors. theta energy: -29.676 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: 2 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -183.019212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.019212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.019212 (E_RNA) where: Base-Base interactions energy: -93.383 where: short stacking energy: -93.383 Base-Backbone interact. energy: -0.016 local terms energy: -89.619925 where: bonds (distance) C4'-P energy: -19.555 bonds (distance) P-C4' energy: -18.108 flat angles C4'-P-C4' energy: -17.324 flat angles P-C4'-P energy: -16.461 tors. eta vs tors. theta energy: -18.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -150.788566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.788566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.788566 (E_RNA) where: Base-Base interactions energy: -80.729 where: short stacking energy: -80.729 Base-Backbone interact. energy: -0.058 local terms energy: -70.001405 where: bonds (distance) C4'-P energy: -14.925 bonds (distance) P-C4' energy: -17.301 flat angles C4'-P-C4' energy: -18.160 flat angles P-C4'-P energy: -7.153 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: 6, replica: 8 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -170.963448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.963448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.963448 (E_RNA) where: Base-Base interactions energy: -91.210 where: short stacking energy: -91.210 Base-Backbone interact. energy: -0.021 local terms energy: -79.732713 where: bonds (distance) C4'-P energy: -14.067 bonds (distance) P-C4' energy: -19.878 flat angles C4'-P-C4' energy: -14.454 flat angles P-C4'-P energy: -11.827 tors. eta vs tors. theta energy: -19.507 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: 5 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -142.553093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.553093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.553093 (E_RNA) where: Base-Base interactions energy: -71.704 where: short stacking energy: -70.410 Base-Backbone interact. energy: -0.779 local terms energy: -70.069578 where: bonds (distance) C4'-P energy: -17.139 bonds (distance) P-C4' energy: -20.218 flat angles C4'-P-C4' energy: -19.721 flat angles P-C4'-P energy: -1.892 tors. eta vs tors. theta energy: -11.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -134.557254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.557254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.557254 (E_RNA) where: Base-Base interactions energy: -63.946 where: short stacking energy: -62.249 Base-Backbone interact. energy: -0.211 local terms energy: -70.400535 where: bonds (distance) C4'-P energy: -12.287 bonds (distance) P-C4' energy: -16.862 flat angles C4'-P-C4' energy: -14.841 flat angles P-C4'-P energy: -12.703 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: 9, replica: 4 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -109.823685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.823685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.823685 (E_RNA) where: Base-Base interactions energy: -44.545 where: short stacking energy: -44.545 Base-Backbone interact. energy: -0.094 local terms energy: -65.183925 where: bonds (distance) C4'-P energy: -13.398 bonds (distance) P-C4' energy: -20.362 flat angles C4'-P-C4' energy: -15.935 flat angles P-C4'-P energy: -8.125 tors. eta vs tors. theta energy: -7.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -124.592359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.592359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.592359 (E_RNA) where: Base-Base interactions energy: -55.091 where: short stacking energy: -55.091 Base-Backbone interact. energy: 0.158 local terms energy: -69.659518 where: bonds (distance) C4'-P energy: -16.121 bonds (distance) P-C4' energy: -20.423 flat angles C4'-P-C4' energy: -9.363 flat angles P-C4'-P energy: -13.212 tors. eta vs tors. theta energy: -10.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -218.398612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.398612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.398612 (E_RNA) where: Base-Base interactions energy: -119.745 where: short stacking energy: -119.745 Base-Backbone interact. energy: -0.050 local terms energy: -98.603584 where: bonds (distance) C4'-P energy: -14.977 bonds (distance) P-C4' energy: -20.301 flat angles C4'-P-C4' energy: -22.520 flat angles P-C4'-P energy: -14.530 tors. eta vs tors. theta energy: -26.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -210.782037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.782037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.782037 (E_RNA) where: Base-Base interactions energy: -112.931 where: short stacking energy: -112.931 Base-Backbone interact. energy: -0.000 local terms energy: -97.850069 where: bonds (distance) C4'-P energy: -18.957 bonds (distance) P-C4' energy: -21.669 flat angles C4'-P-C4' energy: -17.861 flat angles P-C4'-P energy: -9.906 tors. eta vs tors. theta energy: -29.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -202.746802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.746802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.746802 (E_RNA) where: Base-Base interactions energy: -110.067 where: short stacking energy: -110.067 Base-Backbone interact. energy: -0.000 local terms energy: -92.679692 where: bonds (distance) C4'-P energy: -15.408 bonds (distance) P-C4' energy: -20.225 flat angles C4'-P-C4' energy: -20.405 flat angles P-C4'-P energy: -10.091 tors. eta vs tors. theta energy: -26.550 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: 4, replica: 2 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -162.527475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.527475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.527475 (E_RNA) where: Base-Base interactions energy: -85.255 where: short stacking energy: -85.255 Base-Backbone interact. energy: -0.003 local terms energy: -77.269926 where: bonds (distance) C4'-P energy: -18.249 bonds (distance) P-C4' energy: -15.390 flat angles C4'-P-C4' energy: -19.507 flat angles P-C4'-P energy: -9.069 tors. eta vs tors. theta energy: -15.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -149.453494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.453494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.453494 (E_RNA) where: Base-Base interactions energy: -82.404 where: short stacking energy: -82.404 Base-Backbone interact. energy: -0.384 local terms energy: -66.665406 where: bonds (distance) C4'-P energy: -13.815 bonds (distance) P-C4' energy: -16.247 flat angles C4'-P-C4' energy: -18.211 flat angles P-C4'-P energy: -8.023 tors. eta vs tors. theta energy: -10.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -172.005430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.005430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.005430 (E_RNA) where: Base-Base interactions energy: -84.287 where: short stacking energy: -84.287 Base-Backbone interact. energy: -0.005 local terms energy: -87.713076 where: bonds (distance) C4'-P energy: -19.048 bonds (distance) P-C4' energy: -20.507 flat angles C4'-P-C4' energy: -18.557 flat angles P-C4'-P energy: -11.710 tors. eta vs tors. theta energy: -17.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -140.480083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.480083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.480083 (E_RNA) where: Base-Base interactions energy: -67.657 where: short stacking energy: -67.657 Base-Backbone interact. energy: -0.272 local terms energy: -72.550443 where: bonds (distance) C4'-P energy: -11.645 bonds (distance) P-C4' energy: -12.639 flat angles C4'-P-C4' energy: -19.915 flat angles P-C4'-P energy: -14.280 tors. eta vs tors. theta energy: -14.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -118.753890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.753890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.753890 (E_RNA) where: Base-Base interactions energy: -56.459 where: short stacking energy: -56.445 Base-Backbone interact. energy: 0.051 local terms energy: -62.345438 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -21.046 flat angles C4'-P-C4' energy: -15.038 flat angles P-C4'-P energy: -8.563 tors. eta vs tors. theta energy: -5.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -125.879653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.879653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.879653 (E_RNA) where: Base-Base interactions energy: -59.638 where: short stacking energy: -59.638 Base-Backbone interact. energy: 1.604 local terms energy: -67.845160 where: bonds (distance) C4'-P energy: -13.033 bonds (distance) P-C4' energy: -18.532 flat angles C4'-P-C4' energy: -12.653 flat angles P-C4'-P energy: -12.320 tors. eta vs tors. theta energy: -11.307 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: 4 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -119.744381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.744381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.744381 (E_RNA) where: Base-Base interactions energy: -55.018 where: short stacking energy: -54.626 Base-Backbone interact. energy: -0.104 local terms energy: -64.621891 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -11.192 flat angles C4'-P-C4' energy: -15.114 flat angles P-C4'-P energy: -9.844 tors. eta vs tors. theta energy: -13.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -228.997013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.997013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.997013 (E_RNA) where: Base-Base interactions energy: -129.549 where: short stacking energy: -129.036 Base-Backbone interact. energy: -0.079 local terms energy: -99.369039 where: bonds (distance) C4'-P energy: -15.596 bonds (distance) P-C4' energy: -16.685 flat angles C4'-P-C4' energy: -22.874 flat angles P-C4'-P energy: -14.432 tors. eta vs tors. theta energy: -29.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -193.493481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.493481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.493481 (E_RNA) where: Base-Base interactions energy: -99.702 where: short stacking energy: -95.119 Base-Backbone interact. energy: -0.096 local terms energy: -93.695019 where: bonds (distance) C4'-P energy: -18.372 bonds (distance) P-C4' energy: -21.486 flat angles C4'-P-C4' energy: -20.145 flat angles P-C4'-P energy: -13.252 tors. eta vs tors. theta energy: -20.441 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: 6 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -186.303136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.303136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.303136 (E_RNA) where: Base-Base interactions energy: -97.900 where: short stacking energy: -97.900 Base-Backbone interact. energy: -0.000 local terms energy: -88.402722 where: bonds (distance) C4'-P energy: -16.729 bonds (distance) P-C4' energy: -18.094 flat angles C4'-P-C4' energy: -18.840 flat angles P-C4'-P energy: -13.045 tors. eta vs tors. theta energy: -21.694 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: 53 Temperature: 1.050000 Total energy: -199.133451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.133451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.133451 (E_RNA) where: Base-Base interactions energy: -108.865 where: short stacking energy: -108.865 Base-Backbone interact. energy: -0.014 local terms energy: -90.254625 where: bonds (distance) C4'-P energy: -18.998 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -21.314 flat angles P-C4'-P energy: -12.129 tors. eta vs tors. theta energy: -23.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -153.816454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.816454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.816454 (E_RNA) where: Base-Base interactions energy: -85.246 where: short stacking energy: -85.052 Base-Backbone interact. energy: 0.219 local terms energy: -68.789257 where: bonds (distance) C4'-P energy: -15.506 bonds (distance) P-C4' energy: -15.861 flat angles C4'-P-C4' energy: -17.609 flat angles P-C4'-P energy: -7.858 tors. eta vs tors. theta energy: -11.955 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: 1 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -151.751174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.751174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.751174 (E_RNA) where: Base-Base interactions energy: -81.538 where: short stacking energy: -81.478 Base-Backbone interact. energy: -0.045 local terms energy: -70.168760 where: bonds (distance) C4'-P energy: -13.193 bonds (distance) P-C4' energy: -12.379 flat angles C4'-P-C4' energy: -15.196 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: -19.916 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: 9 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -159.727285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.727285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.727285 (E_RNA) where: Base-Base interactions energy: -80.804 where: short stacking energy: -80.804 Base-Backbone interact. energy: -0.025 local terms energy: -78.898621 where: bonds (distance) C4'-P energy: -12.325 bonds (distance) P-C4' energy: -18.641 flat angles C4'-P-C4' energy: -16.757 flat angles P-C4'-P energy: -10.425 tors. eta vs tors. theta energy: -20.750 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: 5 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -132.716607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.716607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.716607 (E_RNA) where: Base-Base interactions energy: -63.515 where: short stacking energy: -63.515 Base-Backbone interact. energy: -0.544 local terms energy: -68.657128 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -18.646 flat angles C4'-P-C4' energy: -16.274 flat angles P-C4'-P energy: -10.157 tors. eta vs tors. theta energy: -9.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -129.904935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.904935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.904935 (E_RNA) where: Base-Base interactions energy: -56.406 where: short stacking energy: -56.406 Base-Backbone interact. energy: -0.525 local terms energy: -72.973974 where: bonds (distance) C4'-P energy: -15.423 bonds (distance) P-C4' energy: -18.346 flat angles C4'-P-C4' energy: -18.207 flat angles P-C4'-P energy: -11.228 tors. eta vs tors. theta energy: -9.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -124.636999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.636999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.636999 (E_RNA) where: Base-Base interactions energy: -62.074 where: short stacking energy: -62.074 Base-Backbone interact. energy: -0.492 local terms energy: -62.071328 where: bonds (distance) C4'-P energy: -11.882 bonds (distance) P-C4' energy: -17.674 flat angles C4'-P-C4' energy: -12.777 flat angles P-C4'-P energy: -7.247 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: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -220.193748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.193748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.193748 (E_RNA) where: Base-Base interactions energy: -118.866 where: short stacking energy: -118.866 Base-Backbone interact. energy: -0.077 local terms energy: -101.250814 where: bonds (distance) C4'-P energy: -17.615 bonds (distance) P-C4' energy: -20.505 flat angles C4'-P-C4' energy: -21.476 flat angles P-C4'-P energy: -14.996 tors. eta vs tors. theta energy: -26.659 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: 2, replica: 7 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -198.335800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.335800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.335800 (E_RNA) where: Base-Base interactions energy: -105.781 where: short stacking energy: -105.981 Base-Backbone interact. energy: -0.004 local terms energy: -92.550572 where: bonds (distance) C4'-P energy: -18.932 bonds (distance) P-C4' energy: -18.823 flat angles C4'-P-C4' energy: -21.306 flat angles P-C4'-P energy: -11.805 tors. eta vs tors. theta energy: -21.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -188.903591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.903591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.903591 (E_RNA) where: Base-Base interactions energy: -103.755 where: short stacking energy: -103.755 Base-Backbone interact. energy: -0.015 local terms energy: -85.133076 where: bonds (distance) C4'-P energy: -16.114 bonds (distance) P-C4' energy: -18.311 flat angles C4'-P-C4' energy: -16.160 flat angles P-C4'-P energy: -11.639 tors. eta vs tors. theta energy: -22.909 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: 2 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -189.894907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.894907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.894907 (E_RNA) where: Base-Base interactions energy: -98.474 where: short stacking energy: -98.474 Base-Backbone interact. energy: -0.000 local terms energy: -91.420848 where: bonds (distance) C4'-P energy: -19.441 bonds (distance) P-C4' energy: -19.197 flat angles C4'-P-C4' energy: -20.583 flat angles P-C4'-P energy: -9.853 tors. eta vs tors. theta energy: -22.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -169.204559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.204559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.204559 (E_RNA) where: Base-Base interactions energy: -85.557 where: short stacking energy: -85.557 Base-Backbone interact. energy: -0.100 local terms energy: -83.547178 where: bonds (distance) C4'-P energy: -16.717 bonds (distance) P-C4' energy: -20.637 flat angles C4'-P-C4' energy: -17.269 flat angles P-C4'-P energy: -8.915 tors. eta vs tors. theta energy: -20.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -152.137124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.137124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.137124 (E_RNA) where: Base-Base interactions energy: -81.035 where: short stacking energy: -80.037 Base-Backbone interact. energy: -0.710 local terms energy: -70.391935 where: bonds (distance) C4'-P energy: -18.559 bonds (distance) P-C4' energy: -20.609 flat angles C4'-P-C4' energy: -4.124 flat angles P-C4'-P energy: -9.782 tors. eta vs tors. theta energy: -17.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -138.252339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.252339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.252339 (E_RNA) where: Base-Base interactions energy: -69.313 where: short stacking energy: -68.831 Base-Backbone interact. energy: 5.827 local terms energy: -74.765455 where: bonds (distance) C4'-P energy: -14.978 bonds (distance) P-C4' energy: -16.164 flat angles C4'-P-C4' energy: -17.583 flat angles P-C4'-P energy: -11.474 tors. eta vs tors. theta energy: -14.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -140.420589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.420589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.420589 (E_RNA) where: Base-Base interactions energy: -77.956 where: short stacking energy: -77.956 Base-Backbone interact. energy: -0.153 local terms energy: -62.311194 where: bonds (distance) C4'-P energy: -13.855 bonds (distance) P-C4' energy: -15.192 flat angles C4'-P-C4' energy: -16.190 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -12.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -133.245546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.245546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.245546 (E_RNA) where: Base-Base interactions energy: -67.111 where: short stacking energy: -67.111 Base-Backbone interact. energy: -0.161 local terms energy: -65.972924 where: bonds (distance) C4'-P energy: -14.410 bonds (distance) P-C4' energy: -14.863 flat angles C4'-P-C4' energy: -14.674 flat angles P-C4'-P energy: -11.938 tors. eta vs tors. theta energy: -10.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -112.825421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.825421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.825421 (E_RNA) where: Base-Base interactions energy: -52.993 where: short stacking energy: -52.993 Base-Backbone interact. energy: -0.018 local terms energy: -59.813961 where: bonds (distance) C4'-P energy: -16.188 bonds (distance) P-C4' energy: -8.976 flat angles C4'-P-C4' energy: -17.879 flat angles P-C4'-P energy: -6.213 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: 1, replica: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -214.947547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.947547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.947547 (E_RNA) where: Base-Base interactions energy: -118.942 where: short stacking energy: -114.119 Base-Backbone interact. energy: 0.009 local terms energy: -96.015262 where: bonds (distance) C4'-P energy: -18.610 bonds (distance) P-C4' energy: -19.570 flat angles C4'-P-C4' energy: -18.827 flat angles P-C4'-P energy: -15.089 tors. eta vs tors. theta energy: -23.919 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: 6 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -204.469705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.469705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.469705 (E_RNA) where: Base-Base interactions energy: -107.316 where: short stacking energy: -107.316 Base-Backbone interact. energy: -0.001 local terms energy: -97.152395 where: bonds (distance) C4'-P energy: -18.486 bonds (distance) P-C4' energy: -21.912 flat angles C4'-P-C4' energy: -18.253 flat angles P-C4'-P energy: -12.437 tors. eta vs tors. theta energy: -26.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -182.318261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.318261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.318261 (E_RNA) where: Base-Base interactions energy: -90.532 where: short stacking energy: -90.532 Base-Backbone interact. energy: -0.116 local terms energy: -91.670608 where: bonds (distance) C4'-P energy: -22.959 bonds (distance) P-C4' energy: -20.309 flat angles C4'-P-C4' energy: -19.762 flat angles P-C4'-P energy: -9.957 tors. eta vs tors. theta energy: -18.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -183.837889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.837889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.837889 (E_RNA) where: Base-Base interactions energy: -91.130 where: short stacking energy: -91.130 Base-Backbone interact. energy: -0.006 local terms energy: -92.702167 where: bonds (distance) C4'-P energy: -20.128 bonds (distance) P-C4' energy: -16.733 flat angles C4'-P-C4' energy: -19.373 flat angles P-C4'-P energy: -11.594 tors. eta vs tors. theta energy: -24.874 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: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -178.333239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.333239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.333239 (E_RNA) where: Base-Base interactions energy: -93.388 where: short stacking energy: -93.388 Base-Backbone interact. energy: -0.000 local terms energy: -84.945262 where: bonds (distance) C4'-P energy: -15.379 bonds (distance) P-C4' energy: -21.007 flat angles C4'-P-C4' energy: -16.964 flat angles P-C4'-P energy: -8.072 tors. eta vs tors. theta energy: -23.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -150.214780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.214780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.214780 (E_RNA) where: Base-Base interactions energy: -86.807 where: short stacking energy: -86.807 Base-Backbone interact. energy: -0.029 local terms energy: -63.378215 where: bonds (distance) C4'-P energy: -11.087 bonds (distance) P-C4' energy: -14.514 flat angles C4'-P-C4' energy: -12.165 flat angles P-C4'-P energy: -11.589 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: 7, replica: 9 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -160.097580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.097580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.097580 (E_RNA) where: Base-Base interactions energy: -81.439 where: short stacking energy: -76.324 Base-Backbone interact. energy: -0.662 local terms energy: -77.996043 where: bonds (distance) C4'-P energy: -16.307 bonds (distance) P-C4' energy: -18.509 flat angles C4'-P-C4' energy: -17.046 flat angles P-C4'-P energy: -8.075 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: 8, replica: 4 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -133.941435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.941435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.941435 (E_RNA) where: Base-Base interactions energy: -66.755 where: short stacking energy: -66.755 Base-Backbone interact. energy: -0.020 local terms energy: -67.166527 where: bonds (distance) C4'-P energy: -13.046 bonds (distance) P-C4' energy: -18.541 flat angles C4'-P-C4' energy: -16.910 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -14.376 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: 5 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -137.149855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.149855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.149855 (E_RNA) where: Base-Base interactions energy: -71.419 where: short stacking energy: -70.650 Base-Backbone interact. energy: -0.167 local terms energy: -65.563875 where: bonds (distance) C4'-P energy: -11.137 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -16.607 flat angles P-C4'-P energy: -10.921 tors. eta vs tors. theta energy: -13.564 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: 55 Temperature: 1.350000 Total energy: -122.462906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.462906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.462906 (E_RNA) where: Base-Base interactions energy: -55.899 where: short stacking energy: -55.899 Base-Backbone interact. energy: -0.010 local terms energy: -66.553696 where: bonds (distance) C4'-P energy: -17.072 bonds (distance) P-C4' energy: -19.123 flat angles C4'-P-C4' energy: -15.206 flat angles P-C4'-P energy: -8.547 tors. eta vs tors. theta energy: -6.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -216.362303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.362303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.362303 (E_RNA) where: Base-Base interactions energy: -120.858 where: short stacking energy: -120.858 Base-Backbone interact. energy: -0.003 local terms energy: -95.501385 where: bonds (distance) C4'-P energy: -13.500 bonds (distance) P-C4' energy: -17.659 flat angles C4'-P-C4' energy: -22.205 flat angles P-C4'-P energy: -14.853 tors. eta vs tors. theta energy: -27.284 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: 3 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -205.181612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.181612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.181612 (E_RNA) where: Base-Base interactions energy: -115.375 where: short stacking energy: -115.375 Base-Backbone interact. energy: -0.002 local terms energy: -89.803917 where: bonds (distance) C4'-P energy: -15.814 bonds (distance) P-C4' energy: -19.899 flat angles C4'-P-C4' energy: -17.587 flat angles P-C4'-P energy: -11.444 tors. eta vs tors. theta energy: -25.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -189.251755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.251755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.251755 (E_RNA) where: Base-Base interactions energy: -103.628 where: short stacking energy: -103.628 Base-Backbone interact. energy: 1.757 local terms energy: -87.381305 where: bonds (distance) C4'-P energy: -16.560 bonds (distance) P-C4' energy: -19.839 flat angles C4'-P-C4' energy: -15.955 flat angles P-C4'-P energy: -11.843 tors. eta vs tors. theta energy: -23.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -181.539531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.539531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.539531 (E_RNA) where: Base-Base interactions energy: -103.352 where: short stacking energy: -100.418 Base-Backbone interact. energy: -0.011 local terms energy: -78.176646 where: bonds (distance) C4'-P energy: -15.284 bonds (distance) P-C4' energy: -16.821 flat angles C4'-P-C4' energy: -13.436 flat angles P-C4'-P energy: -12.025 tors. eta vs tors. theta energy: -20.611 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: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -178.654219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.654219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.654219 (E_RNA) where: Base-Base interactions energy: -95.769 where: short stacking energy: -95.555 Base-Backbone interact. energy: -1.006 local terms energy: -81.878953 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -21.289 flat angles C4'-P-C4' energy: -17.414 flat angles P-C4'-P energy: -11.171 tors. eta vs tors. theta energy: -19.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -146.558562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.558562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.558562 (E_RNA) where: Base-Base interactions energy: -66.381 where: short stacking energy: -65.594 Base-Backbone interact. energy: 1.010 local terms energy: -81.187641 where: bonds (distance) C4'-P energy: -18.355 bonds (distance) P-C4' energy: -20.802 flat angles C4'-P-C4' energy: -17.606 flat angles P-C4'-P energy: -11.823 tors. eta vs tors. theta energy: -12.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -137.728934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.728934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.728934 (E_RNA) where: Base-Base interactions energy: -67.733 where: short stacking energy: -65.785 Base-Backbone interact. energy: -0.149 local terms energy: -69.846897 where: bonds (distance) C4'-P energy: -11.791 bonds (distance) P-C4' energy: -20.579 flat angles C4'-P-C4' energy: -14.211 flat angles P-C4'-P energy: -11.123 tors. eta vs tors. theta energy: -12.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -127.512414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.512414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.512414 (E_RNA) where: Base-Base interactions energy: -53.267 where: short stacking energy: -53.522 Base-Backbone interact. energy: -1.506 local terms energy: -72.739330 where: bonds (distance) C4'-P energy: -17.903 bonds (distance) P-C4' energy: -13.936 flat angles C4'-P-C4' energy: -19.472 flat angles P-C4'-P energy: -13.125 tors. eta vs tors. theta energy: -8.302 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: 5 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -127.846910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.846910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.846910 (E_RNA) where: Base-Base interactions energy: -55.957 where: short stacking energy: -55.364 Base-Backbone interact. energy: -0.178 local terms energy: -71.712792 where: bonds (distance) C4'-P energy: -14.568 bonds (distance) P-C4' energy: -17.788 flat angles C4'-P-C4' energy: -12.778 flat angles P-C4'-P energy: -16.374 tors. eta vs tors. theta energy: -10.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -113.866339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.866339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.866339 (E_RNA) where: Base-Base interactions energy: -48.040 where: short stacking energy: -48.040 Base-Backbone interact. energy: -0.216 local terms energy: -65.611009 where: bonds (distance) C4'-P energy: -16.137 bonds (distance) P-C4' energy: -18.120 flat angles C4'-P-C4' energy: -13.798 flat angles P-C4'-P energy: -12.476 tors. eta vs tors. theta energy: -5.080 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: 57 Temperature: 0.900000 Total energy: -214.618285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.618285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.618285 (E_RNA) where: Base-Base interactions energy: -118.963 where: short stacking energy: -118.963 Base-Backbone interact. energy: -0.000 local terms energy: -95.655302 where: bonds (distance) C4'-P energy: -16.700 bonds (distance) P-C4' energy: -20.515 flat angles C4'-P-C4' energy: -17.298 flat angles P-C4'-P energy: -13.729 tors. eta vs tors. theta energy: -27.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -216.155270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.155270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.155270 (E_RNA) where: Base-Base interactions energy: -118.562 where: short stacking energy: -118.562 Base-Backbone interact. energy: -0.118 local terms energy: -97.474822 where: bonds (distance) C4'-P energy: -18.816 bonds (distance) P-C4' energy: -18.125 flat angles C4'-P-C4' energy: -22.107 flat angles P-C4'-P energy: -11.204 tors. eta vs tors. theta energy: -27.222 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: 57 Temperature: 1.000000 Total energy: -179.245615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.245615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.245615 (E_RNA) where: Base-Base interactions energy: -97.019 where: short stacking energy: -97.019 Base-Backbone interact. energy: -0.007 local terms energy: -82.219860 where: bonds (distance) C4'-P energy: -17.479 bonds (distance) P-C4' energy: -19.172 flat angles C4'-P-C4' energy: -16.440 flat angles P-C4'-P energy: -10.828 tors. eta vs tors. theta energy: -18.301 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: 7 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -168.136007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.136007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.136007 (E_RNA) where: Base-Base interactions energy: -89.232 where: short stacking energy: -89.232 Base-Backbone interact. energy: 0.763 local terms energy: -79.667316 where: bonds (distance) C4'-P energy: -14.211 bonds (distance) P-C4' energy: -18.044 flat angles C4'-P-C4' energy: -18.150 flat angles P-C4'-P energy: -13.478 tors. eta vs tors. theta energy: -15.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -186.861396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.861396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.861396 (E_RNA) where: Base-Base interactions energy: -101.078 where: short stacking energy: -101.078 Base-Backbone interact. energy: 0.072 local terms energy: -85.856123 where: bonds (distance) C4'-P energy: -15.107 bonds (distance) P-C4' energy: -17.827 flat angles C4'-P-C4' energy: -20.028 flat angles P-C4'-P energy: -9.624 tors. eta vs tors. theta energy: -23.271 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: 4 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -144.079867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.079867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.079867 (E_RNA) where: Base-Base interactions energy: -73.783 where: short stacking energy: -73.783 Base-Backbone interact. energy: -0.045 local terms energy: -70.251712 where: bonds (distance) C4'-P energy: -14.526 bonds (distance) P-C4' energy: -16.213 flat angles C4'-P-C4' energy: -14.369 flat angles P-C4'-P energy: -12.163 tors. eta vs tors. theta energy: -12.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -136.783720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.783720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.783720 (E_RNA) where: Base-Base interactions energy: -65.480 where: short stacking energy: -65.480 Base-Backbone interact. energy: -0.088 local terms energy: -71.215533 where: bonds (distance) C4'-P energy: -20.683 bonds (distance) P-C4' energy: -15.533 flat angles C4'-P-C4' energy: -13.095 flat angles P-C4'-P energy: -11.402 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: 8, replica: 5 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -131.636675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.636675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.636675 (E_RNA) where: Base-Base interactions energy: -57.203 where: short stacking energy: -57.203 Base-Backbone interact. energy: 0.038 local terms energy: -74.471594 where: bonds (distance) C4'-P energy: -15.492 bonds (distance) P-C4' energy: -18.702 flat angles C4'-P-C4' energy: -18.081 flat angles P-C4'-P energy: -13.811 tors. eta vs tors. theta energy: -8.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -117.779806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.779806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.779806 (E_RNA) where: Base-Base interactions energy: -57.860 where: short stacking energy: -54.835 Base-Backbone interact. energy: -0.909 local terms energy: -59.010234 where: bonds (distance) C4'-P energy: -6.723 bonds (distance) P-C4' energy: -18.661 flat angles C4'-P-C4' energy: -12.300 flat angles P-C4'-P energy: -12.194 tors. eta vs tors. theta energy: -9.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -111.538563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.538563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.538563 (E_RNA) where: Base-Base interactions energy: -49.944 where: short stacking energy: -49.944 Base-Backbone interact. energy: 0.718 local terms energy: -62.313349 where: bonds (distance) C4'-P energy: -18.244 bonds (distance) P-C4' energy: -18.832 flat angles C4'-P-C4' energy: -15.147 flat angles P-C4'-P energy: -6.567 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: 58 Temperature: 0.900000 Total energy: -218.493014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.493014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.493014 (E_RNA) where: Base-Base interactions energy: -116.035 where: short stacking energy: -116.035 Base-Backbone interact. energy: -0.007 local terms energy: -102.451445 where: bonds (distance) C4'-P energy: -22.065 bonds (distance) P-C4' energy: -19.918 flat angles C4'-P-C4' energy: -18.877 flat angles P-C4'-P energy: -15.889 tors. eta vs tors. theta energy: -25.702 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: 58 Temperature: 0.950000 Total energy: -216.124752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.124752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.124752 (E_RNA) where: Base-Base interactions energy: -120.109 where: short stacking energy: -120.109 Base-Backbone interact. energy: -0.003 local terms energy: -96.013268 where: bonds (distance) C4'-P energy: -15.624 bonds (distance) P-C4' energy: -21.504 flat angles C4'-P-C4' energy: -20.162 flat angles P-C4'-P energy: -12.758 tors. eta vs tors. theta energy: -25.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -195.672932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.672932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.672932 (E_RNA) where: Base-Base interactions energy: -102.102 where: short stacking energy: -102.102 Base-Backbone interact. energy: -0.013 local terms energy: -93.557235 where: bonds (distance) C4'-P energy: -17.437 bonds (distance) P-C4' energy: -19.731 flat angles C4'-P-C4' energy: -18.823 flat angles P-C4'-P energy: -14.255 tors. eta vs tors. theta energy: -23.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -177.662508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.662508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.662508 (E_RNA) where: Base-Base interactions energy: -89.302 where: short stacking energy: -89.302 Base-Backbone interact. energy: -0.063 local terms energy: -88.297901 where: bonds (distance) C4'-P energy: -18.486 bonds (distance) P-C4' energy: -17.100 flat angles C4'-P-C4' energy: -20.539 flat angles P-C4'-P energy: -13.028 tors. eta vs tors. theta energy: -19.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -148.788180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.788180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.788180 (E_RNA) where: Base-Base interactions energy: -73.324 where: short stacking energy: -73.324 Base-Backbone interact. energy: -0.044 local terms energy: -75.420122 where: bonds (distance) C4'-P energy: -15.093 bonds (distance) P-C4' energy: -14.070 flat angles C4'-P-C4' energy: -17.285 flat angles P-C4'-P energy: -14.527 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: 6, replica: 2 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -146.576170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.576170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.576170 (E_RNA) where: Base-Base interactions energy: -73.876 where: short stacking energy: -73.876 Base-Backbone interact. energy: -0.002 local terms energy: -72.698125 where: bonds (distance) C4'-P energy: -18.501 bonds (distance) P-C4' energy: -19.168 flat angles C4'-P-C4' energy: -12.129 flat angles P-C4'-P energy: -8.842 tors. eta vs tors. theta energy: -14.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -150.460404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.460404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.460404 (E_RNA) where: Base-Base interactions energy: -78.585 where: short stacking energy: -78.515 Base-Backbone interact. energy: 0.922 local terms energy: -72.797517 where: bonds (distance) C4'-P energy: -16.045 bonds (distance) P-C4' energy: -15.486 flat angles C4'-P-C4' energy: -17.486 flat angles P-C4'-P energy: -8.748 tors. eta vs tors. theta energy: -15.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -131.519223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.519223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.519223 (E_RNA) where: Base-Base interactions energy: -60.697 where: short stacking energy: -60.472 Base-Backbone interact. energy: -0.248 local terms energy: -70.574314 where: bonds (distance) C4'-P energy: -17.955 bonds (distance) P-C4' energy: -16.338 flat angles C4'-P-C4' energy: -13.596 flat angles P-C4'-P energy: -12.316 tors. eta vs tors. theta energy: -10.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -120.382929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.382929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.382929 (E_RNA) where: Base-Base interactions energy: -50.360 where: short stacking energy: -50.360 Base-Backbone interact. energy: -0.912 local terms energy: -69.110499 where: bonds (distance) C4'-P energy: -11.716 bonds (distance) P-C4' energy: -19.393 flat angles C4'-P-C4' energy: -15.729 flat angles P-C4'-P energy: -12.557 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: 10, replica: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -105.214633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.214633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.214633 (E_RNA) where: Base-Base interactions energy: -49.341 where: short stacking energy: -41.260 Base-Backbone interact. energy: -1.077 local terms energy: -54.796205 where: bonds (distance) C4'-P energy: -11.672 bonds (distance) P-C4' energy: -16.092 flat angles C4'-P-C4' energy: -16.645 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -5.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -209.168061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.168061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.168061 (E_RNA) where: Base-Base interactions energy: -118.595 where: short stacking energy: -118.595 Base-Backbone interact. energy: -0.004 local terms energy: -90.568531 where: bonds (distance) C4'-P energy: -14.535 bonds (distance) P-C4' energy: -20.691 flat angles C4'-P-C4' energy: -18.496 flat angles P-C4'-P energy: -14.552 tors. eta vs tors. theta energy: -22.295 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: 7 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -194.719292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.719292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.719292 (E_RNA) where: Base-Base interactions energy: -104.774 where: short stacking energy: -104.774 Base-Backbone interact. energy: -0.157 local terms energy: -89.788666 where: bonds (distance) C4'-P energy: -14.862 bonds (distance) P-C4' energy: -20.137 flat angles C4'-P-C4' energy: -20.489 flat angles P-C4'-P energy: -10.284 tors. eta vs tors. theta energy: -24.017 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: 3, replica: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -193.373200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.373200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.373200 (E_RNA) where: Base-Base interactions energy: -104.663 where: short stacking energy: -104.663 Base-Backbone interact. energy: -0.001 local terms energy: -88.709151 where: bonds (distance) C4'-P energy: -18.203 bonds (distance) P-C4' energy: -19.294 flat angles C4'-P-C4' energy: -18.597 flat angles P-C4'-P energy: -10.554 tors. eta vs tors. theta energy: -22.060 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: 59 Temperature: 1.050000 Total energy: -169.446279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.446279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.446279 (E_RNA) where: Base-Base interactions energy: -86.395 where: short stacking energy: -86.395 Base-Backbone interact. energy: -0.266 local terms energy: -82.785338 where: bonds (distance) C4'-P energy: -14.048 bonds (distance) P-C4' energy: -18.433 flat angles C4'-P-C4' energy: -17.279 flat angles P-C4'-P energy: -13.446 tors. eta vs tors. theta energy: -19.579 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: 4 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -156.621165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.621165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.621165 (E_RNA) where: Base-Base interactions energy: -81.050 where: short stacking energy: -81.050 Base-Backbone interact. energy: -0.355 local terms energy: -75.215751 where: bonds (distance) C4'-P energy: -16.216 bonds (distance) P-C4' energy: -18.977 flat angles C4'-P-C4' energy: -11.543 flat angles P-C4'-P energy: -13.441 tors. eta vs tors. theta energy: -15.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -137.299736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.299736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.299736 (E_RNA) where: Base-Base interactions energy: -65.737 where: short stacking energy: -65.737 Base-Backbone interact. energy: -0.013 local terms energy: -71.549376 where: bonds (distance) C4'-P energy: -19.722 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -18.604 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -13.115 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: 5 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -141.707280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.707280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.707280 (E_RNA) where: Base-Base interactions energy: -71.467 where: short stacking energy: -71.467 Base-Backbone interact. energy: -0.245 local terms energy: -69.995504 where: bonds (distance) C4'-P energy: -5.649 bonds (distance) P-C4' energy: -20.157 flat angles C4'-P-C4' energy: -17.771 flat angles P-C4'-P energy: -13.631 tors. eta vs tors. theta energy: -12.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -122.786676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.786676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.786676 (E_RNA) where: Base-Base interactions energy: -51.896 where: short stacking energy: -51.896 Base-Backbone interact. energy: -0.131 local terms energy: -70.758804 where: bonds (distance) C4'-P energy: -17.363 bonds (distance) P-C4' energy: -19.540 flat angles C4'-P-C4' energy: -15.340 flat angles P-C4'-P energy: -11.722 tors. eta vs tors. theta energy: -6.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -126.886761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.886761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.886761 (E_RNA) where: Base-Base interactions energy: -64.992 where: short stacking energy: -64.992 Base-Backbone interact. energy: 1.469 local terms energy: -63.363808 where: bonds (distance) C4'-P energy: -11.673 bonds (distance) P-C4' energy: -20.666 flat angles C4'-P-C4' energy: -14.726 flat angles P-C4'-P energy: -7.980 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: 10, replica: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -120.458058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.458058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.458058 (E_RNA) where: Base-Base interactions energy: -56.378 where: short stacking energy: -56.378 Base-Backbone interact. energy: -0.114 local terms energy: -63.965873 where: bonds (distance) C4'-P energy: -9.282 bonds (distance) P-C4' energy: -14.170 flat angles C4'-P-C4' energy: -21.094 flat angles P-C4'-P energy: -9.159 tors. eta vs tors. theta energy: -10.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -207.135918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.135918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.135918 (E_RNA) where: Base-Base interactions energy: -109.879 where: short stacking energy: -109.879 Base-Backbone interact. energy: -0.008 local terms energy: -97.248727 where: bonds (distance) C4'-P energy: -21.152 bonds (distance) P-C4' energy: -18.154 flat angles C4'-P-C4' energy: -21.144 flat angles P-C4'-P energy: -15.293 tors. eta vs tors. theta energy: -21.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -198.807735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.807735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.807735 (E_RNA) where: Base-Base interactions energy: -109.497 where: short stacking energy: -109.497 Base-Backbone interact. energy: 0.757 local terms energy: -90.067284 where: bonds (distance) C4'-P energy: -17.627 bonds (distance) P-C4' energy: -20.004 flat angles C4'-P-C4' energy: -18.777 flat angles P-C4'-P energy: -11.780 tors. eta vs tors. theta energy: -21.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -201.972896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.972896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.972896 (E_RNA) where: Base-Base interactions energy: -109.949 where: short stacking energy: -109.949 Base-Backbone interact. energy: -0.001 local terms energy: -92.023057 where: bonds (distance) C4'-P energy: -14.695 bonds (distance) P-C4' energy: -18.922 flat angles C4'-P-C4' energy: -19.936 flat angles P-C4'-P energy: -14.497 tors. eta vs tors. theta energy: -23.974 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: 1 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -176.348344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.348344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.348344 (E_RNA) where: Base-Base interactions energy: -90.748 where: short stacking energy: -90.748 Base-Backbone interact. energy: -0.020 local terms energy: -85.580029 where: bonds (distance) C4'-P energy: -18.571 bonds (distance) P-C4' energy: -16.176 flat angles C4'-P-C4' energy: -17.138 flat angles P-C4'-P energy: -14.114 tors. eta vs tors. theta energy: -19.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -163.583332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.583332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.583332 (E_RNA) where: Base-Base interactions energy: -88.410 where: short stacking energy: -88.410 Base-Backbone interact. energy: -0.243 local terms energy: -74.930688 where: bonds (distance) C4'-P energy: -19.664 bonds (distance) P-C4' energy: -16.735 flat angles C4'-P-C4' energy: -16.127 flat angles P-C4'-P energy: -8.124 tors. eta vs tors. theta energy: -14.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -154.235740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.235740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.235740 (E_RNA) where: Base-Base interactions energy: -77.151 where: short stacking energy: -77.151 Base-Backbone interact. energy: -0.176 local terms energy: -76.908719 where: bonds (distance) C4'-P energy: -17.346 bonds (distance) P-C4' energy: -20.785 flat angles C4'-P-C4' energy: -17.582 flat angles P-C4'-P energy: -9.859 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: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -153.584693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.584693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.584693 (E_RNA) where: Base-Base interactions energy: -68.423 where: short stacking energy: -68.423 Base-Backbone interact. energy: 0.940 local terms energy: -86.102091 where: bonds (distance) C4'-P energy: -18.576 bonds (distance) P-C4' energy: -17.649 flat angles C4'-P-C4' energy: -22.541 flat angles P-C4'-P energy: -12.037 tors. eta vs tors. theta energy: -15.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -148.477185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.477185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.477185 (E_RNA) where: Base-Base interactions energy: -76.010 where: short stacking energy: -76.010 Base-Backbone interact. energy: -0.155 local terms energy: -72.312097 where: bonds (distance) C4'-P energy: -18.356 bonds (distance) P-C4' energy: -17.452 flat angles C4'-P-C4' energy: -11.597 flat angles P-C4'-P energy: -9.335 tors. eta vs tors. theta energy: -15.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -128.624948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.624948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.624948 (E_RNA) where: Base-Base interactions energy: -69.228 where: short stacking energy: -69.228 Base-Backbone interact. energy: -1.180 local terms energy: -58.217742 where: bonds (distance) C4'-P energy: -16.717 bonds (distance) P-C4' energy: -19.612 flat angles C4'-P-C4' energy: -11.982 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -6.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -106.889308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.889308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.889308 (E_RNA) where: Base-Base interactions energy: -43.915 where: short stacking energy: -44.715 Base-Backbone interact. energy: 1.442 local terms energy: -64.416484 where: bonds (distance) C4'-P energy: -16.278 bonds (distance) P-C4' energy: -15.741 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -15.151 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: 1, replica: 6 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -204.517524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.517524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.517524 (E_RNA) where: Base-Base interactions energy: -110.242 where: short stacking energy: -110.242 Base-Backbone interact. energy: -0.005 local terms energy: -94.271227 where: bonds (distance) C4'-P energy: -16.402 bonds (distance) P-C4' energy: -19.391 flat angles C4'-P-C4' energy: -21.043 flat angles P-C4'-P energy: -15.539 tors. eta vs tors. theta energy: -21.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -203.095776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.095776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.095776 (E_RNA) where: Base-Base interactions energy: -105.573 where: short stacking energy: -105.573 Base-Backbone interact. energy: -0.066 local terms energy: -97.456470 where: bonds (distance) C4'-P energy: -18.448 bonds (distance) P-C4' energy: -22.678 flat angles C4'-P-C4' energy: -18.614 flat angles P-C4'-P energy: -15.028 tors. eta vs tors. theta energy: -22.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -191.030685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.030685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.030685 (E_RNA) where: Base-Base interactions energy: -97.595 where: short stacking energy: -97.595 Base-Backbone interact. energy: -0.104 local terms energy: -93.331765 where: bonds (distance) C4'-P energy: -19.316 bonds (distance) P-C4' energy: -23.075 flat angles C4'-P-C4' energy: -13.079 flat angles P-C4'-P energy: -15.912 tors. eta vs tors. theta energy: -21.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -163.264017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.264017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.264017 (E_RNA) where: Base-Base interactions energy: -82.132 where: short stacking energy: -82.132 Base-Backbone interact. energy: -0.036 local terms energy: -81.095889 where: bonds (distance) C4'-P energy: -12.683 bonds (distance) P-C4' energy: -21.461 flat angles C4'-P-C4' energy: -20.032 flat angles P-C4'-P energy: -14.367 tors. eta vs tors. theta energy: -12.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -167.440241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.440241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.440241 (E_RNA) where: Base-Base interactions energy: -94.952 where: short stacking energy: -94.952 Base-Backbone interact. energy: -0.022 local terms energy: -72.466588 where: bonds (distance) C4'-P energy: -12.602 bonds (distance) P-C4' energy: -15.846 flat angles C4'-P-C4' energy: -12.541 flat angles P-C4'-P energy: -12.093 tors. eta vs tors. theta energy: -19.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -149.029060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.029060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.029060 (E_RNA) where: Base-Base interactions energy: -74.175 where: short stacking energy: -74.175 Base-Backbone interact. energy: -0.136 local terms energy: -74.718350 where: bonds (distance) C4'-P energy: -15.522 bonds (distance) P-C4' energy: -18.516 flat angles C4'-P-C4' energy: -17.969 flat angles P-C4'-P energy: -8.456 tors. eta vs tors. theta energy: -14.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -137.729332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.729332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.729332 (E_RNA) where: Base-Base interactions energy: -63.163 where: short stacking energy: -63.163 Base-Backbone interact. energy: -0.156 local terms energy: -74.410974 where: bonds (distance) C4'-P energy: -17.868 bonds (distance) P-C4' energy: -16.242 flat angles C4'-P-C4' energy: -14.535 flat angles P-C4'-P energy: -11.464 tors. eta vs tors. theta energy: -14.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -136.412690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.412690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.412690 (E_RNA) where: Base-Base interactions energy: -59.044 where: short stacking energy: -57.643 Base-Backbone interact. energy: -0.045 local terms energy: -77.324074 where: bonds (distance) C4'-P energy: -18.783 bonds (distance) P-C4' energy: -18.043 flat angles C4'-P-C4' energy: -16.918 flat angles P-C4'-P energy: -12.912 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: 9, replica: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -121.480801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.480801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.480801 (E_RNA) where: Base-Base interactions energy: -52.278 where: short stacking energy: -52.278 Base-Backbone interact. energy: -0.010 local terms energy: -69.192875 where: bonds (distance) C4'-P energy: -12.345 bonds (distance) P-C4' energy: -20.150 flat angles C4'-P-C4' energy: -15.245 flat angles P-C4'-P energy: -10.745 tors. eta vs tors. theta energy: -10.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -111.045933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.045933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.045933 (E_RNA) where: Base-Base interactions energy: -54.021 where: short stacking energy: -48.227 Base-Backbone interact. energy: -0.136 local terms energy: -56.889054 where: bonds (distance) C4'-P energy: -11.597 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -16.057 flat angles P-C4'-P energy: -11.289 tors. eta vs tors. theta energy: -2.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -205.596906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.596906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.596906 (E_RNA) where: Base-Base interactions energy: -113.194 where: short stacking energy: -113.194 Base-Backbone interact. energy: -0.006 local terms energy: -92.396599 where: bonds (distance) C4'-P energy: -14.144 bonds (distance) P-C4' energy: -20.632 flat angles C4'-P-C4' energy: -20.446 flat angles P-C4'-P energy: -11.988 tors. eta vs tors. theta energy: -25.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -185.305951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.305951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.305951 (E_RNA) where: Base-Base interactions energy: -95.296 where: short stacking energy: -95.296 Base-Backbone interact. energy: -0.021 local terms energy: -89.989765 where: bonds (distance) C4'-P energy: -20.290 bonds (distance) P-C4' energy: -20.390 flat angles C4'-P-C4' energy: -18.017 flat angles P-C4'-P energy: -8.007 tors. eta vs tors. theta energy: -23.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -185.610869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.610869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.610869 (E_RNA) where: Base-Base interactions energy: -110.551 where: short stacking energy: -110.551 Base-Backbone interact. energy: -0.027 local terms energy: -75.032355 where: bonds (distance) C4'-P energy: -8.973 bonds (distance) P-C4' energy: -18.581 flat angles C4'-P-C4' energy: -16.039 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -21.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -154.756618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.756618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.756618 (E_RNA) where: Base-Base interactions energy: -74.174 where: short stacking energy: -74.174 Base-Backbone interact. energy: -0.054 local terms energy: -80.528551 where: bonds (distance) C4'-P energy: -17.938 bonds (distance) P-C4' energy: -19.638 flat angles C4'-P-C4' energy: -18.664 flat angles P-C4'-P energy: -10.850 tors. eta vs tors. theta energy: -13.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -153.288616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.288616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.288616 (E_RNA) where: Base-Base interactions energy: -69.903 where: short stacking energy: -70.064 Base-Backbone interact. energy: -0.946 local terms energy: -82.440032 where: bonds (distance) C4'-P energy: -19.997 bonds (distance) P-C4' energy: -14.791 flat angles C4'-P-C4' energy: -18.231 flat angles P-C4'-P energy: -15.136 tors. eta vs tors. theta energy: -14.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -149.387353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.387353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.387353 (E_RNA) where: Base-Base interactions energy: -71.638 where: short stacking energy: -72.546 Base-Backbone interact. energy: -1.236 local terms energy: -76.513382 where: bonds (distance) C4'-P energy: -19.147 bonds (distance) P-C4' energy: -16.182 flat angles C4'-P-C4' energy: -16.897 flat angles P-C4'-P energy: -9.426 tors. eta vs tors. theta energy: -14.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -141.780828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.780828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.780828 (E_RNA) where: Base-Base interactions energy: -67.848 where: short stacking energy: -67.776 Base-Backbone interact. energy: -0.039 local terms energy: -73.894043 where: bonds (distance) C4'-P energy: -16.848 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -16.068 flat angles P-C4'-P energy: -12.010 tors. eta vs tors. theta energy: -12.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -136.380269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.380269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.380269 (E_RNA) where: Base-Base interactions energy: -67.817 where: short stacking energy: -67.464 Base-Backbone interact. energy: -0.030 local terms energy: -68.533516 where: bonds (distance) C4'-P energy: -15.832 bonds (distance) P-C4' energy: -18.873 flat angles C4'-P-C4' energy: -12.744 flat angles P-C4'-P energy: -11.367 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: 9, replica: 8 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -130.091017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.091017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.091017 (E_RNA) where: Base-Base interactions energy: -58.422 where: short stacking energy: -58.422 Base-Backbone interact. energy: -0.124 local terms energy: -71.544317 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -13.763 flat angles C4'-P-C4' energy: -17.586 flat angles P-C4'-P energy: -17.957 tors. eta vs tors. theta energy: -8.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -111.829152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.829152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.829152 (E_RNA) where: Base-Base interactions energy: -55.025 where: short stacking energy: -52.548 Base-Backbone interact. energy: -0.081 local terms energy: -56.723121 where: bonds (distance) C4'-P energy: -8.250 bonds (distance) P-C4' energy: -17.845 flat angles C4'-P-C4' energy: -11.046 flat angles P-C4'-P energy: -7.198 tors. eta vs tors. theta energy: -12.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -201.469742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.469742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.469742 (E_RNA) where: Base-Base interactions energy: -109.135 where: short stacking energy: -109.135 Base-Backbone interact. energy: -0.100 local terms energy: -92.235026 where: bonds (distance) C4'-P energy: -18.575 bonds (distance) P-C4' energy: -16.937 flat angles C4'-P-C4' energy: -18.208 flat angles P-C4'-P energy: -14.099 tors. eta vs tors. theta energy: -24.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -178.867146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.867146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.867146 (E_RNA) where: Base-Base interactions energy: -88.795 where: short stacking energy: -88.795 Base-Backbone interact. energy: -0.163 local terms energy: -89.909385 where: bonds (distance) C4'-P energy: -19.785 bonds (distance) P-C4' energy: -22.152 flat angles C4'-P-C4' energy: -18.697 flat angles P-C4'-P energy: -13.637 tors. eta vs tors. theta energy: -15.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -206.106908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.106908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.106908 (E_RNA) where: Base-Base interactions energy: -106.926 where: short stacking energy: -106.926 Base-Backbone interact. energy: -0.226 local terms energy: -98.955023 where: bonds (distance) C4'-P energy: -19.437 bonds (distance) P-C4' energy: -20.166 flat angles C4'-P-C4' energy: -19.797 flat angles P-C4'-P energy: -14.631 tors. eta vs tors. theta energy: -24.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -170.896111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.896111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.896111 (E_RNA) where: Base-Base interactions energy: -94.516 where: short stacking energy: -94.516 Base-Backbone interact. energy: -0.055 local terms energy: -76.324523 where: bonds (distance) C4'-P energy: -17.168 bonds (distance) P-C4' energy: -15.897 flat angles C4'-P-C4' energy: -17.233 flat angles P-C4'-P energy: -9.163 tors. eta vs tors. theta energy: -16.864 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: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -168.247622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.247622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.247622 (E_RNA) where: Base-Base interactions energy: -87.037 where: short stacking energy: -87.537 Base-Backbone interact. energy: -0.365 local terms energy: -80.845848 where: bonds (distance) C4'-P energy: -17.715 bonds (distance) P-C4' energy: -12.974 flat angles C4'-P-C4' energy: -19.340 flat angles P-C4'-P energy: -10.999 tors. eta vs tors. theta energy: -19.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -169.519193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.519193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.519193 (E_RNA) where: Base-Base interactions energy: -95.937 where: short stacking energy: -95.937 Base-Backbone interact. energy: -0.003 local terms energy: -73.578745 where: bonds (distance) C4'-P energy: -10.554 bonds (distance) P-C4' energy: -18.479 flat angles C4'-P-C4' energy: -17.667 flat angles P-C4'-P energy: -10.547 tors. eta vs tors. theta energy: -16.332 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: 1 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -144.425844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.425844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.425844 (E_RNA) where: Base-Base interactions energy: -75.505 where: short stacking energy: -75.505 Base-Backbone interact. energy: 0.328 local terms energy: -69.249146 where: bonds (distance) C4'-P energy: -14.671 bonds (distance) P-C4' energy: -17.242 flat angles C4'-P-C4' energy: -15.145 flat angles P-C4'-P energy: -8.105 tors. eta vs tors. theta energy: -14.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -134.891369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.891369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.891369 (E_RNA) where: Base-Base interactions energy: -65.842 where: short stacking energy: -65.640 Base-Backbone interact. energy: -0.179 local terms energy: -68.870397 where: bonds (distance) C4'-P energy: -15.946 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -20.648 flat angles P-C4'-P energy: -8.786 tors. eta vs tors. theta energy: -8.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -123.164118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.164118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.164118 (E_RNA) where: Base-Base interactions energy: -60.324 where: short stacking energy: -60.324 Base-Backbone interact. energy: 3.544 local terms energy: -66.383963 where: bonds (distance) C4'-P energy: -15.383 bonds (distance) P-C4' energy: -22.205 flat angles C4'-P-C4' energy: -13.209 flat angles P-C4'-P energy: -11.937 tors. eta vs tors. theta energy: -3.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -118.850288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.850288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.850288 (E_RNA) where: Base-Base interactions energy: -53.718 where: short stacking energy: -53.718 Base-Backbone interact. energy: 0.744 local terms energy: -65.876456 where: bonds (distance) C4'-P energy: -16.525 bonds (distance) P-C4' energy: -15.363 flat angles C4'-P-C4' energy: -21.709 flat angles P-C4'-P energy: -1.367 tors. eta vs tors. theta energy: -10.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -196.796778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.796778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.796778 (E_RNA) where: Base-Base interactions energy: -112.070 where: short stacking energy: -112.070 Base-Backbone interact. energy: -0.000 local terms energy: -84.726814 where: bonds (distance) C4'-P energy: -13.851 bonds (distance) P-C4' energy: -20.228 flat angles C4'-P-C4' energy: -20.648 flat angles P-C4'-P energy: -7.109 tors. eta vs tors. theta energy: -22.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -199.528732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.528732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.528732 (E_RNA) where: Base-Base interactions energy: -108.850 where: short stacking energy: -108.774 Base-Backbone interact. energy: 1.745 local terms energy: -92.423292 where: bonds (distance) C4'-P energy: -18.452 bonds (distance) P-C4' energy: -19.788 flat angles C4'-P-C4' energy: -16.776 flat angles P-C4'-P energy: -14.831 tors. eta vs tors. theta energy: -22.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -180.967440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.967440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.967440 (E_RNA) where: Base-Base interactions energy: -97.058 where: short stacking energy: -97.058 Base-Backbone interact. energy: -0.023 local terms energy: -83.886559 where: bonds (distance) C4'-P energy: -13.296 bonds (distance) P-C4' energy: -17.363 flat angles C4'-P-C4' energy: -19.782 flat angles P-C4'-P energy: -13.233 tors. eta vs tors. theta energy: -20.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -181.252246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.252246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.252246 (E_RNA) where: Base-Base interactions energy: -91.595 where: short stacking energy: -91.595 Base-Backbone interact. energy: -0.500 local terms energy: -89.156778 where: bonds (distance) C4'-P energy: -16.385 bonds (distance) P-C4' energy: -16.819 flat angles C4'-P-C4' energy: -20.857 flat angles P-C4'-P energy: -12.331 tors. eta vs tors. theta energy: -22.764 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: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -194.553196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.553196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.553196 (E_RNA) where: Base-Base interactions energy: -102.163 where: short stacking energy: -102.163 Base-Backbone interact. energy: 0.156 local terms energy: -92.546700 where: bonds (distance) C4'-P energy: -16.882 bonds (distance) P-C4' energy: -16.889 flat angles C4'-P-C4' energy: -19.626 flat angles P-C4'-P energy: -14.061 tors. eta vs tors. theta energy: -25.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -150.688701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.688701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.688701 (E_RNA) where: Base-Base interactions energy: -77.017 where: short stacking energy: -77.017 Base-Backbone interact. energy: -0.182 local terms energy: -73.490247 where: bonds (distance) C4'-P energy: -15.649 bonds (distance) P-C4' energy: -16.172 flat angles C4'-P-C4' energy: -11.748 flat angles P-C4'-P energy: -14.957 tors. eta vs tors. theta energy: -14.964 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: 1 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -144.762323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.762323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.762323 (E_RNA) where: Base-Base interactions energy: -71.427 where: short stacking energy: -71.427 Base-Backbone interact. energy: -0.103 local terms energy: -73.232188 where: bonds (distance) C4'-P energy: -15.683 bonds (distance) P-C4' energy: -19.000 flat angles C4'-P-C4' energy: -15.387 flat angles P-C4'-P energy: -10.938 tors. eta vs tors. theta energy: -12.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -129.102408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.102408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.102408 (E_RNA) where: Base-Base interactions energy: -65.325 where: short stacking energy: -65.325 Base-Backbone interact. energy: -0.078 local terms energy: -63.698988 where: bonds (distance) C4'-P energy: -17.243 bonds (distance) P-C4' energy: -18.933 flat angles C4'-P-C4' energy: -11.891 flat angles P-C4'-P energy: -11.747 tors. eta vs tors. theta energy: -3.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -125.008272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.008272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.008272 (E_RNA) where: Base-Base interactions energy: -61.054 where: short stacking energy: -61.054 Base-Backbone interact. energy: 0.023 local terms energy: -63.976623 where: bonds (distance) C4'-P energy: -10.072 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -16.061 flat angles P-C4'-P energy: -9.514 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: 10, replica: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -107.324064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.324064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.324064 (E_RNA) where: Base-Base interactions energy: -46.707 where: short stacking energy: -46.707 Base-Backbone interact. energy: -0.117 local terms energy: -60.499923 where: bonds (distance) C4'-P energy: -17.065 bonds (distance) P-C4' energy: -12.823 flat angles C4'-P-C4' energy: -16.933 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -8.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -204.864265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.864265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.864265 (E_RNA) where: Base-Base interactions energy: -108.039 where: short stacking energy: -108.039 Base-Backbone interact. energy: -0.030 local terms energy: -96.795728 where: bonds (distance) C4'-P energy: -19.511 bonds (distance) P-C4' energy: -22.405 flat angles C4'-P-C4' energy: -19.064 flat angles P-C4'-P energy: -13.980 tors. eta vs tors. theta energy: -21.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -201.858035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.858035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.858035 (E_RNA) where: Base-Base interactions energy: -105.853 where: short stacking energy: -105.853 Base-Backbone interact. energy: -0.060 local terms energy: -95.945393 where: bonds (distance) C4'-P energy: -19.173 bonds (distance) P-C4' energy: -21.002 flat angles C4'-P-C4' energy: -20.754 flat angles P-C4'-P energy: -11.537 tors. eta vs tors. theta energy: -23.480 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: 65 Temperature: 1.000000 Total energy: -197.473458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.473458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.473458 (E_RNA) where: Base-Base interactions energy: -112.007 where: short stacking energy: -112.007 Base-Backbone interact. energy: -0.012 local terms energy: -85.454120 where: bonds (distance) C4'-P energy: -15.016 bonds (distance) P-C4' energy: -16.412 flat angles C4'-P-C4' energy: -19.655 flat angles P-C4'-P energy: -12.071 tors. eta vs tors. theta energy: -22.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -151.354656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.354656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.354656 (E_RNA) where: Base-Base interactions energy: -72.366 where: short stacking energy: -72.466 Base-Backbone interact. energy: -0.050 local terms energy: -78.938758 where: bonds (distance) C4'-P energy: -18.753 bonds (distance) P-C4' energy: -20.157 flat angles C4'-P-C4' energy: -20.039 flat angles P-C4'-P energy: -9.132 tors. eta vs tors. theta energy: -10.857 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: 2 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -143.381149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.381149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.381149 (E_RNA) where: Base-Base interactions energy: -66.018 where: short stacking energy: -65.922 Base-Backbone interact. energy: -0.094 local terms energy: -77.269318 where: bonds (distance) C4'-P energy: -18.588 bonds (distance) P-C4' energy: -16.302 flat angles C4'-P-C4' energy: -20.797 flat angles P-C4'-P energy: -12.403 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: 1 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -161.600835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.600835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.600835 (E_RNA) where: Base-Base interactions energy: -83.858 where: short stacking energy: -83.858 Base-Backbone interact. energy: 0.048 local terms energy: -77.790452 where: bonds (distance) C4'-P energy: -16.656 bonds (distance) P-C4' energy: -19.756 flat angles C4'-P-C4' energy: -15.687 flat angles P-C4'-P energy: -11.903 tors. eta vs tors. theta energy: -13.789 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: 9 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -145.433456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.433456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.433456 (E_RNA) where: Base-Base interactions energy: -72.345 where: short stacking energy: -72.345 Base-Backbone interact. energy: -0.105 local terms energy: -72.983173 where: bonds (distance) C4'-P energy: -16.188 bonds (distance) P-C4' energy: -19.813 flat angles C4'-P-C4' energy: -17.098 flat angles P-C4'-P energy: -10.485 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: 10 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -158.483148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.483148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.483148 (E_RNA) where: Base-Base interactions energy: -92.225 where: short stacking energy: -92.225 Base-Backbone interact. energy: -0.001 local terms energy: -66.257195 where: bonds (distance) C4'-P energy: -11.371 bonds (distance) P-C4' energy: -10.642 flat angles C4'-P-C4' energy: -15.028 flat angles P-C4'-P energy: -10.453 tors. eta vs tors. theta energy: -18.763 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: 5 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -115.568920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.568920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.568920 (E_RNA) where: Base-Base interactions energy: -52.658 where: short stacking energy: -52.658 Base-Backbone interact. energy: 1.529 local terms energy: -64.440476 where: bonds (distance) C4'-P energy: -12.585 bonds (distance) P-C4' energy: -16.018 flat angles C4'-P-C4' energy: -14.740 flat angles P-C4'-P energy: -10.805 tors. eta vs tors. theta energy: -10.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -101.476814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.476814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.476814 (E_RNA) where: Base-Base interactions energy: -44.084 where: short stacking energy: -44.084 Base-Backbone interact. energy: -0.152 local terms energy: -57.240388 where: bonds (distance) C4'-P energy: -9.545 bonds (distance) P-C4' energy: -17.682 flat angles C4'-P-C4' energy: -12.744 flat angles P-C4'-P energy: -14.686 tors. eta vs tors. theta energy: -2.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -206.289912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.289912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.289912 (E_RNA) where: Base-Base interactions energy: -113.910 where: short stacking energy: -113.910 Base-Backbone interact. energy: -0.000 local terms energy: -92.379664 where: bonds (distance) C4'-P energy: -19.180 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -16.611 flat angles P-C4'-P energy: -15.358 tors. eta vs tors. theta energy: -24.777 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: 2, replica: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -196.713830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.713830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.713830 (E_RNA) where: Base-Base interactions energy: -111.465 where: short stacking energy: -111.465 Base-Backbone interact. energy: -0.201 local terms energy: -85.048055 where: bonds (distance) C4'-P energy: -14.684 bonds (distance) P-C4' energy: -17.572 flat angles C4'-P-C4' energy: -20.171 flat angles P-C4'-P energy: -7.429 tors. eta vs tors. theta energy: -25.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -190.737772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.737772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.737772 (E_RNA) where: Base-Base interactions energy: -105.123 where: short stacking energy: -105.123 Base-Backbone interact. energy: -0.003 local terms energy: -85.612239 where: bonds (distance) C4'-P energy: -14.403 bonds (distance) P-C4' energy: -15.713 flat angles C4'-P-C4' energy: -19.596 flat angles P-C4'-P energy: -12.724 tors. eta vs tors. theta energy: -23.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -163.005881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.005881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.005881 (E_RNA) where: Base-Base interactions energy: -77.222 where: short stacking energy: -77.222 Base-Backbone interact. energy: -0.129 local terms energy: -85.654275 where: bonds (distance) C4'-P energy: -20.431 bonds (distance) P-C4' energy: -21.243 flat angles C4'-P-C4' energy: -16.269 flat angles P-C4'-P energy: -13.458 tors. eta vs tors. theta energy: -14.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -177.649082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.649082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.649082 (E_RNA) where: Base-Base interactions energy: -98.890 where: short stacking energy: -98.890 Base-Backbone interact. energy: -0.002 local terms energy: -78.756554 where: bonds (distance) C4'-P energy: -14.617 bonds (distance) P-C4' energy: -16.338 flat angles C4'-P-C4' energy: -18.491 flat angles P-C4'-P energy: -11.706 tors. eta vs tors. theta energy: -17.604 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: 66 Temperature: 1.150000 Total energy: -135.544361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.544361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.544361 (E_RNA) where: Base-Base interactions energy: -70.637 where: short stacking energy: -70.637 Base-Backbone interact. energy: -0.108 local terms energy: -64.798920 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -21.476 flat angles C4'-P-C4' energy: -13.619 flat angles P-C4'-P energy: -5.340 tors. eta vs tors. theta energy: -11.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -134.042801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.042801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.042801 (E_RNA) where: Base-Base interactions energy: -74.478 where: short stacking energy: -74.311 Base-Backbone interact. energy: 3.831 local terms energy: -63.396356 where: bonds (distance) C4'-P energy: -11.037 bonds (distance) P-C4' energy: -16.381 flat angles C4'-P-C4' energy: -13.763 flat angles P-C4'-P energy: -12.204 tors. eta vs tors. theta energy: -10.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -135.110182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.110182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.110182 (E_RNA) where: Base-Base interactions energy: -70.366 where: short stacking energy: -70.247 Base-Backbone interact. energy: -0.030 local terms energy: -64.714284 where: bonds (distance) C4'-P energy: -13.401 bonds (distance) P-C4' energy: -13.558 flat angles C4'-P-C4' energy: -17.723 flat angles P-C4'-P energy: -6.110 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: 9, replica: 8 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -122.676211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.676211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.676211 (E_RNA) where: Base-Base interactions energy: -63.237 where: short stacking energy: -60.840 Base-Backbone interact. energy: -1.070 local terms energy: -58.369708 where: bonds (distance) C4'-P energy: -15.335 bonds (distance) P-C4' energy: -13.240 flat angles C4'-P-C4' energy: -16.491 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -9.612 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: 5 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -121.512496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.512496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.512496 (E_RNA) where: Base-Base interactions energy: -50.612 where: short stacking energy: -50.509 Base-Backbone interact. energy: -0.033 local terms energy: -70.867734 where: bonds (distance) C4'-P energy: -17.665 bonds (distance) P-C4' energy: -19.310 flat angles C4'-P-C4' energy: -17.215 flat angles P-C4'-P energy: -12.507 tors. eta vs tors. theta energy: -4.170 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: 6 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -219.592154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.592154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.592154 (E_RNA) where: Base-Base interactions energy: -118.697 where: short stacking energy: -118.697 Base-Backbone interact. energy: -0.001 local terms energy: -100.893926 where: bonds (distance) C4'-P energy: -17.780 bonds (distance) P-C4' energy: -19.559 flat angles C4'-P-C4' energy: -22.173 flat angles P-C4'-P energy: -13.016 tors. eta vs tors. theta energy: -28.366 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: 3 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -212.730406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.730406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.730406 (E_RNA) where: Base-Base interactions energy: -119.333 where: short stacking energy: -119.333 Base-Backbone interact. energy: -0.004 local terms energy: -93.393643 where: bonds (distance) C4'-P energy: -16.344 bonds (distance) P-C4' energy: -18.709 flat angles C4'-P-C4' energy: -18.845 flat angles P-C4'-P energy: -12.683 tors. eta vs tors. theta energy: -26.813 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: 67 Temperature: 1.000000 Total energy: -199.097264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.097264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.097264 (E_RNA) where: Base-Base interactions energy: -104.292 where: short stacking energy: -104.292 Base-Backbone interact. energy: -0.007 local terms energy: -94.798285 where: bonds (distance) C4'-P energy: -20.902 bonds (distance) P-C4' energy: -16.033 flat angles C4'-P-C4' energy: -22.084 flat angles P-C4'-P energy: -12.822 tors. eta vs tors. theta energy: -22.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -183.805691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.805691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.805691 (E_RNA) where: Base-Base interactions energy: -93.880 where: short stacking energy: -93.880 Base-Backbone interact. energy: -0.011 local terms energy: -89.914814 where: bonds (distance) C4'-P energy: -18.071 bonds (distance) P-C4' energy: -20.200 flat angles C4'-P-C4' energy: -18.294 flat angles P-C4'-P energy: -12.340 tors. eta vs tors. theta energy: -21.011 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: 5, replica: 1 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -160.237432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.237432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.237432 (E_RNA) where: Base-Base interactions energy: -80.329 where: short stacking energy: -77.662 Base-Backbone interact. energy: -1.750 local terms energy: -78.158238 where: bonds (distance) C4'-P energy: -12.464 bonds (distance) P-C4' energy: -19.671 flat angles C4'-P-C4' energy: -17.128 flat angles P-C4'-P energy: -13.029 tors. eta vs tors. theta energy: -15.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -165.152799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.152799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.152799 (E_RNA) where: Base-Base interactions energy: -79.894 where: short stacking energy: -79.894 Base-Backbone interact. energy: 0.281 local terms energy: -85.539174 where: bonds (distance) C4'-P energy: -18.422 bonds (distance) P-C4' energy: -19.165 flat angles C4'-P-C4' energy: -17.543 flat angles P-C4'-P energy: -14.369 tors. eta vs tors. theta energy: -16.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -135.195198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.195198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.195198 (E_RNA) where: Base-Base interactions energy: -70.669 where: short stacking energy: -70.669 Base-Backbone interact. energy: -0.128 local terms energy: -64.398988 where: bonds (distance) C4'-P energy: -13.624 bonds (distance) P-C4' energy: -14.725 flat angles C4'-P-C4' energy: -15.484 flat angles P-C4'-P energy: -9.538 tors. eta vs tors. theta energy: -11.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -144.896531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.896531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.896531 (E_RNA) where: Base-Base interactions energy: -72.377 where: short stacking energy: -70.331 Base-Backbone interact. energy: 1.378 local terms energy: -73.897339 where: bonds (distance) C4'-P energy: -18.924 bonds (distance) P-C4' energy: -15.457 flat angles C4'-P-C4' energy: -11.913 flat angles P-C4'-P energy: -11.916 tors. eta vs tors. theta energy: -15.688 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: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -116.715323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.715323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.715323 (E_RNA) where: Base-Base interactions energy: -57.718 where: short stacking energy: -57.718 Base-Backbone interact. energy: -0.030 local terms energy: -58.967467 where: bonds (distance) C4'-P energy: -11.058 bonds (distance) P-C4' energy: -13.822 flat angles C4'-P-C4' energy: -18.552 flat angles P-C4'-P energy: -7.176 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: 10, replica: 5 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -111.040362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.040362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.040362 (E_RNA) where: Base-Base interactions energy: -43.115 where: short stacking energy: -43.115 Base-Backbone interact. energy: -0.973 local terms energy: -66.952506 where: bonds (distance) C4'-P energy: -15.977 bonds (distance) P-C4' energy: -18.904 flat angles C4'-P-C4' energy: -17.692 flat angles P-C4'-P energy: -10.891 tors. eta vs tors. theta energy: -3.488 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: 6 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -206.238296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.238296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.238296 (E_RNA) where: Base-Base interactions energy: -110.400 where: short stacking energy: -110.400 Base-Backbone interact. energy: -0.000 local terms energy: -95.838116 where: bonds (distance) C4'-P energy: -19.262 bonds (distance) P-C4' energy: -16.950 flat angles C4'-P-C4' energy: -20.915 flat angles P-C4'-P energy: -13.447 tors. eta vs tors. theta energy: -25.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -199.908480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.908480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.908480 (E_RNA) where: Base-Base interactions energy: -111.740 where: short stacking energy: -111.740 Base-Backbone interact. energy: -0.032 local terms energy: -88.136126 where: bonds (distance) C4'-P energy: -15.702 bonds (distance) P-C4' energy: -11.059 flat angles C4'-P-C4' energy: -21.597 flat angles P-C4'-P energy: -15.459 tors. eta vs tors. theta energy: -24.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -191.599850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.599850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.599850 (E_RNA) where: Base-Base interactions energy: -98.869 where: short stacking energy: -98.869 Base-Backbone interact. energy: -0.002 local terms energy: -92.728864 where: bonds (distance) C4'-P energy: -15.025 bonds (distance) P-C4' energy: -20.577 flat angles C4'-P-C4' energy: -21.364 flat angles P-C4'-P energy: -14.049 tors. eta vs tors. theta energy: -21.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -162.481537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.481537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.481537 (E_RNA) where: Base-Base interactions energy: -84.770 where: short stacking energy: -81.153 Base-Backbone interact. energy: -0.704 local terms energy: -77.007871 where: bonds (distance) C4'-P energy: -17.769 bonds (distance) P-C4' energy: -18.156 flat angles C4'-P-C4' energy: -16.362 flat angles P-C4'-P energy: -11.604 tors. eta vs tors. theta energy: -13.118 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: 10 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -178.442482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.442482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.442482 (E_RNA) where: Base-Base interactions energy: -89.300 where: short stacking energy: -89.300 Base-Backbone interact. energy: -0.001 local terms energy: -89.141608 where: bonds (distance) C4'-P energy: -14.921 bonds (distance) P-C4' energy: -20.319 flat angles C4'-P-C4' energy: -15.075 flat angles P-C4'-P energy: -14.886 tors. eta vs tors. theta energy: -23.940 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: 1 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -150.903650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.903650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.903650 (E_RNA) where: Base-Base interactions energy: -72.072 where: short stacking energy: -72.272 Base-Backbone interact. energy: -0.595 local terms energy: -78.236626 where: bonds (distance) C4'-P energy: -13.185 bonds (distance) P-C4' energy: -19.911 flat angles C4'-P-C4' energy: -20.684 flat angles P-C4'-P energy: -11.511 tors. eta vs tors. theta energy: -12.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -174.861459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.861459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.861459 (E_RNA) where: Base-Base interactions energy: -90.567 where: short stacking energy: -90.567 Base-Backbone interact. energy: -0.045 local terms energy: -84.249714 where: bonds (distance) C4'-P energy: -18.100 bonds (distance) P-C4' energy: -17.653 flat angles C4'-P-C4' energy: -17.053 flat angles P-C4'-P energy: -13.544 tors. eta vs tors. theta energy: -17.899 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: 8, replica: 2 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -125.846643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.846643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.846643 (E_RNA) where: Base-Base interactions energy: -62.446 where: short stacking energy: -62.446 Base-Backbone interact. energy: -0.222 local terms energy: -63.178906 where: bonds (distance) C4'-P energy: -15.715 bonds (distance) P-C4' energy: -16.761 flat angles C4'-P-C4' energy: -10.044 flat angles P-C4'-P energy: -9.180 tors. eta vs tors. theta energy: -11.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -125.803740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.803740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.803740 (E_RNA) where: Base-Base interactions energy: -53.205 where: short stacking energy: -53.090 Base-Backbone interact. energy: -1.521 local terms energy: -71.077724 where: bonds (distance) C4'-P energy: -12.651 bonds (distance) P-C4' energy: -16.248 flat angles C4'-P-C4' energy: -17.849 flat angles P-C4'-P energy: -14.008 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: 68 Temperature: 1.350000 Total energy: -109.169906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.169906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.169906 (E_RNA) where: Base-Base interactions energy: -45.237 where: short stacking energy: -45.437 Base-Backbone interact. energy: -0.150 local terms energy: -63.782686 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -19.305 flat angles C4'-P-C4' energy: -17.062 flat angles P-C4'-P energy: -11.710 tors. eta vs tors. theta energy: -1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -215.650486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.650486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.650486 (E_RNA) where: Base-Base interactions energy: -113.817 where: short stacking energy: -113.817 Base-Backbone interact. energy: -0.000 local terms energy: -101.833939 where: bonds (distance) C4'-P energy: -16.778 bonds (distance) P-C4' energy: -21.394 flat angles C4'-P-C4' energy: -21.704 flat angles P-C4'-P energy: -13.061 tors. eta vs tors. theta energy: -28.896 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: 7 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -190.257256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.257256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.257256 (E_RNA) where: Base-Base interactions energy: -102.629 where: short stacking energy: -102.629 Base-Backbone interact. energy: -0.018 local terms energy: -87.610149 where: bonds (distance) C4'-P energy: -19.383 bonds (distance) P-C4' energy: -18.958 flat angles C4'-P-C4' energy: -20.592 flat angles P-C4'-P energy: -6.905 tors. eta vs tors. theta energy: -21.772 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: 3 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -177.322337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.322337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.322337 (E_RNA) where: Base-Base interactions energy: -96.088 where: short stacking energy: -96.088 Base-Backbone interact. energy: -0.010 local terms energy: -81.224238 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -16.453 flat angles C4'-P-C4' energy: -16.644 flat angles P-C4'-P energy: -10.720 tors. eta vs tors. theta energy: -23.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -159.060470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.060470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.060470 (E_RNA) where: Base-Base interactions energy: -74.964 where: short stacking energy: -74.964 Base-Backbone interact. energy: -0.150 local terms energy: -83.947208 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -19.193 flat angles C4'-P-C4' energy: -19.668 flat angles P-C4'-P energy: -12.549 tors. eta vs tors. theta energy: -17.989 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: 4 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -155.180731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.180731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.180731 (E_RNA) where: Base-Base interactions energy: -81.424 where: short stacking energy: -78.146 Base-Backbone interact. energy: 1.271 local terms energy: -75.027076 where: bonds (distance) C4'-P energy: -18.977 bonds (distance) P-C4' energy: -19.492 flat angles C4'-P-C4' energy: -12.754 flat angles P-C4'-P energy: -9.326 tors. eta vs tors. theta energy: -14.478 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: 1 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -181.112425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.112425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.112425 (E_RNA) where: Base-Base interactions energy: -101.367 where: short stacking energy: -96.008 Base-Backbone interact. energy: -0.028 local terms energy: -79.718031 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -15.796 flat angles C4'-P-C4' energy: -19.922 flat angles P-C4'-P energy: -11.957 tors. eta vs tors. theta energy: -18.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -145.511235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.511235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.511235 (E_RNA) where: Base-Base interactions energy: -83.660 where: short stacking energy: -83.660 Base-Backbone interact. energy: -0.007 local terms energy: -61.843783 where: bonds (distance) C4'-P energy: -16.419 bonds (distance) P-C4' energy: -13.347 flat angles C4'-P-C4' energy: -15.121 flat angles P-C4'-P energy: -3.372 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: 8, replica: 9 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -122.128212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.128212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.128212 (E_RNA) where: Base-Base interactions energy: -51.541 where: short stacking energy: -51.332 Base-Backbone interact. energy: -0.130 local terms energy: -70.457599 where: bonds (distance) C4'-P energy: -15.952 bonds (distance) P-C4' energy: -16.800 flat angles C4'-P-C4' energy: -18.468 flat angles P-C4'-P energy: -10.103 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: 9, replica: 2 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -113.767643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.767643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.767643 (E_RNA) where: Base-Base interactions energy: -55.802 where: short stacking energy: -51.585 Base-Backbone interact. energy: -0.052 local terms energy: -57.913861 where: bonds (distance) C4'-P energy: -13.635 bonds (distance) P-C4' energy: -20.280 flat angles C4'-P-C4' energy: -10.494 flat angles P-C4'-P energy: -9.167 tors. eta vs tors. theta energy: -4.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -108.420006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.420006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.420006 (E_RNA) where: Base-Base interactions energy: -43.366 where: short stacking energy: -43.366 Base-Backbone interact. energy: -0.097 local terms energy: -64.956507 where: bonds (distance) C4'-P energy: -14.891 bonds (distance) P-C4' energy: -18.262 flat angles C4'-P-C4' energy: -15.550 flat angles P-C4'-P energy: -7.928 tors. eta vs tors. theta energy: -8.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -208.161531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.161531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.161531 (E_RNA) where: Base-Base interactions energy: -116.593 where: short stacking energy: -116.593 Base-Backbone interact. energy: -0.023 local terms energy: -91.545128 where: bonds (distance) C4'-P energy: -18.024 bonds (distance) P-C4' energy: -16.876 flat angles C4'-P-C4' energy: -19.017 flat angles P-C4'-P energy: -11.680 tors. eta vs tors. theta energy: -25.947 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: 2, replica: 6 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -216.068854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.068854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.068854 (E_RNA) where: Base-Base interactions energy: -113.495 where: short stacking energy: -113.495 Base-Backbone interact. energy: -0.002 local terms energy: -102.572172 where: bonds (distance) C4'-P energy: -20.827 bonds (distance) P-C4' energy: -17.663 flat angles C4'-P-C4' energy: -20.263 flat angles P-C4'-P energy: -15.754 tors. eta vs tors. theta energy: -28.065 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: 10 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -176.359104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.359104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.359104 (E_RNA) where: Base-Base interactions energy: -88.071 where: short stacking energy: -88.071 Base-Backbone interact. energy: -0.140 local terms energy: -88.147829 where: bonds (distance) C4'-P energy: -14.664 bonds (distance) P-C4' energy: -17.505 flat angles C4'-P-C4' energy: -20.606 flat angles P-C4'-P energy: -13.547 tors. eta vs tors. theta energy: -21.826 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: 3 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -170.710326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.710326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.710326 (E_RNA) where: Base-Base interactions energy: -94.317 where: short stacking energy: -91.377 Base-Backbone interact. energy: -0.067 local terms energy: -76.326086 where: bonds (distance) C4'-P energy: -12.824 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -19.297 flat angles P-C4'-P energy: -12.223 tors. eta vs tors. theta energy: -17.400 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: 4 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -162.545224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.545224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.545224 (E_RNA) where: Base-Base interactions energy: -81.188 where: short stacking energy: -81.188 Base-Backbone interact. energy: -0.092 local terms energy: -81.265600 where: bonds (distance) C4'-P energy: -17.470 bonds (distance) P-C4' energy: -21.558 flat angles C4'-P-C4' energy: -15.758 flat angles P-C4'-P energy: -10.526 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: 6, replica: 1 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -150.199244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.199244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.199244 (E_RNA) where: Base-Base interactions energy: -76.803 where: short stacking energy: -76.803 Base-Backbone interact. energy: -0.184 local terms energy: -73.211814 where: bonds (distance) C4'-P energy: -13.288 bonds (distance) P-C4' energy: -18.559 flat angles C4'-P-C4' energy: -14.099 flat angles P-C4'-P energy: -11.009 tors. eta vs tors. theta energy: -16.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -141.487941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.487941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.487941 (E_RNA) where: Base-Base interactions energy: -68.460 where: short stacking energy: -68.460 Base-Backbone interact. energy: -0.144 local terms energy: -72.883783 where: bonds (distance) C4'-P energy: -13.010 bonds (distance) P-C4' energy: -17.541 flat angles C4'-P-C4' energy: -20.015 flat angles P-C4'-P energy: -13.956 tors. eta vs tors. theta energy: -8.362 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: 8 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -133.588144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.588144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.588144 (E_RNA) where: Base-Base interactions energy: -65.137 where: short stacking energy: -66.337 Base-Backbone interact. energy: -0.144 local terms energy: -68.307897 where: bonds (distance) C4'-P energy: -17.990 bonds (distance) P-C4' energy: -17.596 flat angles C4'-P-C4' energy: -12.741 flat angles P-C4'-P energy: -8.025 tors. eta vs tors. theta energy: -11.955 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: 5 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -130.722246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.722246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.722246 (E_RNA) where: Base-Base interactions energy: -63.550 where: short stacking energy: -63.077 Base-Backbone interact. energy: -0.336 local terms energy: -66.835575 where: bonds (distance) C4'-P energy: -16.395 bonds (distance) P-C4' energy: -15.506 flat angles C4'-P-C4' energy: -16.031 flat angles P-C4'-P energy: -9.127 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: 2 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -127.319709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.319709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.319709 (E_RNA) where: Base-Base interactions energy: -61.425 where: short stacking energy: -61.425 Base-Backbone interact. energy: -0.078 local terms energy: -65.817245 where: bonds (distance) C4'-P energy: -13.348 bonds (distance) P-C4' energy: -17.678 flat angles C4'-P-C4' energy: -12.803 flat angles P-C4'-P energy: -10.447 tors. eta vs tors. theta energy: -11.541 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: 7 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -207.369984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.369984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.369984 (E_RNA) where: Base-Base interactions energy: -110.198 where: short stacking energy: -110.198 Base-Backbone interact. energy: -0.040 local terms energy: -97.131705 where: bonds (distance) C4'-P energy: -19.674 bonds (distance) P-C4' energy: -19.704 flat angles C4'-P-C4' energy: -18.056 flat angles P-C4'-P energy: -14.914 tors. eta vs tors. theta energy: -24.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -211.380030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.380030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.380030 (E_RNA) where: Base-Base interactions energy: -116.818 where: short stacking energy: -116.818 Base-Backbone interact. energy: -0.002 local terms energy: -94.560827 where: bonds (distance) C4'-P energy: -17.753 bonds (distance) P-C4' energy: -16.078 flat angles C4'-P-C4' energy: -19.319 flat angles P-C4'-P energy: -16.343 tors. eta vs tors. theta energy: -25.068 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: 10 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -174.646447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.646447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.646447 (E_RNA) where: Base-Base interactions energy: -94.497 where: short stacking energy: -94.497 Base-Backbone interact. energy: -0.004 local terms energy: -80.144977 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -19.495 flat angles C4'-P-C4' energy: -20.315 flat angles P-C4'-P energy: -10.615 tors. eta vs tors. theta energy: -16.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -199.011343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.011343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.011343 (E_RNA) where: Base-Base interactions energy: -105.293 where: short stacking energy: -105.293 Base-Backbone interact. energy: -0.107 local terms energy: -93.611532 where: bonds (distance) C4'-P energy: -17.933 bonds (distance) P-C4' energy: -17.009 flat angles C4'-P-C4' energy: -21.016 flat angles P-C4'-P energy: -13.256 tors. eta vs tors. theta energy: -24.398 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: 5, replica: 3 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -175.077368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.077368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.077368 (E_RNA) where: Base-Base interactions energy: -87.630 where: short stacking energy: -87.830 Base-Backbone interact. energy: -0.460 local terms energy: -86.987448 where: bonds (distance) C4'-P energy: -18.419 bonds (distance) P-C4' energy: -21.010 flat angles C4'-P-C4' energy: -19.127 flat angles P-C4'-P energy: -13.714 tors. eta vs tors. theta energy: -14.718 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: 9 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -182.217956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.217956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.217956 (E_RNA) where: Base-Base interactions energy: -97.717 where: short stacking energy: -98.794 Base-Backbone interact. energy: -0.002 local terms energy: -84.498577 where: bonds (distance) C4'-P energy: -13.557 bonds (distance) P-C4' energy: -18.753 flat angles C4'-P-C4' energy: -19.727 flat angles P-C4'-P energy: -9.135 tors. eta vs tors. theta energy: -23.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -126.229375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.229375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.229375 (E_RNA) where: Base-Base interactions energy: -58.276 where: short stacking energy: -58.276 Base-Backbone interact. energy: -0.626 local terms energy: -67.328030 where: bonds (distance) C4'-P energy: -16.376 bonds (distance) P-C4' energy: -18.037 flat angles C4'-P-C4' energy: -15.039 flat angles P-C4'-P energy: -11.117 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: 8, replica: 8 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -115.948588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.948588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.948588 (E_RNA) where: Base-Base interactions energy: -52.698 where: short stacking energy: -52.698 Base-Backbone interact. energy: -0.257 local terms energy: -62.992760 where: bonds (distance) C4'-P energy: -17.794 bonds (distance) P-C4' energy: -17.242 flat angles C4'-P-C4' energy: -14.754 flat angles P-C4'-P energy: -7.074 tors. eta vs tors. theta energy: -6.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -119.521268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.521268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.521268 (E_RNA) where: Base-Base interactions energy: -57.313 where: short stacking energy: -56.286 Base-Backbone interact. energy: -0.297 local terms energy: -61.911718 where: bonds (distance) C4'-P energy: -11.148 bonds (distance) P-C4' energy: -16.902 flat angles C4'-P-C4' energy: -15.234 flat angles P-C4'-P energy: -13.242 tors. eta vs tors. theta energy: -5.386 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: 2 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -110.832696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.832696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.832696 (E_RNA) where: Base-Base interactions energy: -63.660 where: short stacking energy: -63.660 Base-Backbone interact. energy: -0.272 local terms energy: -46.900473 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -9.709 flat angles P-C4'-P energy: -8.101 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: 1, replica: 7 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -207.201365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.201365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.201365 (E_RNA) where: Base-Base interactions energy: -105.961 where: short stacking energy: -105.961 Base-Backbone interact. energy: -0.076 local terms energy: -101.164569 where: bonds (distance) C4'-P energy: -21.250 bonds (distance) P-C4' energy: -19.276 flat angles C4'-P-C4' energy: -20.757 flat angles P-C4'-P energy: -17.880 tors. eta vs tors. theta energy: -22.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -205.126898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.126898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.126898 (E_RNA) where: Base-Base interactions energy: -110.316 where: short stacking energy: -110.316 Base-Backbone interact. energy: -0.013 local terms energy: -94.797623 where: bonds (distance) C4'-P energy: -18.753 bonds (distance) P-C4' energy: -20.255 flat angles C4'-P-C4' energy: -18.173 flat angles P-C4'-P energy: -12.444 tors. eta vs tors. theta energy: -25.172 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: 4 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -187.009282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.009282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.009282 (E_RNA) where: Base-Base interactions energy: -101.798 where: short stacking energy: -100.610 Base-Backbone interact. energy: -0.012 local terms energy: -85.198925 where: bonds (distance) C4'-P energy: -16.095 bonds (distance) P-C4' energy: -18.684 flat angles C4'-P-C4' energy: -18.787 flat angles P-C4'-P energy: -8.656 tors. eta vs tors. theta energy: -22.976 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: 72 Temperature: 1.050000 Total energy: -177.752965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.752965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.752965 (E_RNA) where: Base-Base interactions energy: -87.736 where: short stacking energy: -87.836 Base-Backbone interact. energy: -0.145 local terms energy: -89.872120 where: bonds (distance) C4'-P energy: -16.853 bonds (distance) P-C4' energy: -20.599 flat angles C4'-P-C4' energy: -20.846 flat angles P-C4'-P energy: -9.775 tors. eta vs tors. theta energy: -21.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -178.195219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.195219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.195219 (E_RNA) where: Base-Base interactions energy: -96.937 where: short stacking energy: -96.937 Base-Backbone interact. energy: -0.305 local terms energy: -80.953296 where: bonds (distance) C4'-P energy: -11.314 bonds (distance) P-C4' energy: -16.011 flat angles C4'-P-C4' energy: -17.812 flat angles P-C4'-P energy: -12.374 tors. eta vs tors. theta energy: -23.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -171.920717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.920717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.920717 (E_RNA) where: Base-Base interactions energy: -85.393 where: short stacking energy: -85.393 Base-Backbone interact. energy: -0.139 local terms energy: -86.388722 where: bonds (distance) C4'-P energy: -19.389 bonds (distance) P-C4' energy: -19.213 flat angles C4'-P-C4' energy: -19.684 flat angles P-C4'-P energy: -9.711 tors. eta vs tors. theta energy: -18.392 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: 7, replica: 1 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -131.542513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.542513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.542513 (E_RNA) where: Base-Base interactions energy: -61.135 where: short stacking energy: -60.420 Base-Backbone interact. energy: -0.490 local terms energy: -69.917437 where: bonds (distance) C4'-P energy: -19.243 bonds (distance) P-C4' energy: -17.358 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -11.425 tors. eta vs tors. theta energy: -7.757 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: 8, replica: 8 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -117.203904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.203904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.203904 (E_RNA) where: Base-Base interactions energy: -53.629 where: short stacking energy: -55.223 Base-Backbone interact. energy: -0.097 local terms energy: -63.478064 where: bonds (distance) C4'-P energy: -16.254 bonds (distance) P-C4' energy: -14.119 flat angles C4'-P-C4' energy: -18.214 flat angles P-C4'-P energy: -11.126 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: 9, replica: 5 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -120.356388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.356388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.356388 (E_RNA) where: Base-Base interactions energy: -59.058 where: short stacking energy: -59.058 Base-Backbone interact. energy: 1.473 local terms energy: -62.771972 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -11.572 flat angles P-C4'-P energy: -8.329 tors. eta vs tors. theta energy: -13.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -118.577667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.577667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.577667 (E_RNA) where: Base-Base interactions energy: -54.067 where: short stacking energy: -54.067 Base-Backbone interact. energy: -0.052 local terms energy: -64.459038 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -17.200 flat angles C4'-P-C4' energy: -19.637 flat angles P-C4'-P energy: -8.398 tors. eta vs tors. theta energy: -11.507 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: 1, replica: 7 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -201.958965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.958965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.958965 (E_RNA) where: Base-Base interactions energy: -105.583 where: short stacking energy: -105.583 Base-Backbone interact. energy: -0.000 local terms energy: -96.375244 where: bonds (distance) C4'-P energy: -14.923 bonds (distance) P-C4' energy: -19.133 flat angles C4'-P-C4' energy: -20.966 flat angles P-C4'-P energy: -14.641 tors. eta vs tors. theta energy: -26.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -214.336274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.336274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.336274 (E_RNA) where: Base-Base interactions energy: -114.185 where: short stacking energy: -114.185 Base-Backbone interact. energy: -0.006 local terms energy: -100.144821 where: bonds (distance) C4'-P energy: -17.181 bonds (distance) P-C4' energy: -20.960 flat angles C4'-P-C4' energy: -20.883 flat angles P-C4'-P energy: -13.255 tors. eta vs tors. theta energy: -27.865 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: 3, replica: 4 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -181.912523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.912523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.912523 (E_RNA) where: Base-Base interactions energy: -93.754 where: short stacking energy: -92.087 Base-Backbone interact. energy: 1.937 local terms energy: -90.095188 where: bonds (distance) C4'-P energy: -15.594 bonds (distance) P-C4' energy: -21.998 flat angles C4'-P-C4' energy: -18.567 flat angles P-C4'-P energy: -15.222 tors. eta vs tors. theta energy: -18.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -183.690750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.690750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.690750 (E_RNA) where: Base-Base interactions energy: -94.788 where: short stacking energy: -94.888 Base-Backbone interact. energy: -0.078 local terms energy: -88.824803 where: bonds (distance) C4'-P energy: -19.802 bonds (distance) P-C4' energy: -18.778 flat angles C4'-P-C4' energy: -17.939 flat angles P-C4'-P energy: -13.773 tors. eta vs tors. theta energy: -18.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -175.549273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.549273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.549273 (E_RNA) where: Base-Base interactions energy: -89.439 where: short stacking energy: -89.539 Base-Backbone interact. energy: -0.017 local terms energy: -86.092613 where: bonds (distance) C4'-P energy: -16.485 bonds (distance) P-C4' energy: -20.664 flat angles C4'-P-C4' energy: -18.110 flat angles P-C4'-P energy: -8.305 tors. eta vs tors. theta energy: -22.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -156.714305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.714305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.714305 (E_RNA) where: Base-Base interactions energy: -82.099 where: short stacking energy: -82.099 Base-Backbone interact. energy: -0.438 local terms energy: -74.177674 where: bonds (distance) C4'-P energy: -15.550 bonds (distance) P-C4' energy: -13.513 flat angles C4'-P-C4' energy: -15.838 flat angles P-C4'-P energy: -14.677 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: 7, replica: 1 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -140.566264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.566264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.566264 (E_RNA) where: Base-Base interactions energy: -71.565 where: short stacking energy: -71.565 Base-Backbone interact. energy: -0.082 local terms energy: -68.919292 where: bonds (distance) C4'-P energy: -16.307 bonds (distance) P-C4' energy: -9.837 flat angles C4'-P-C4' energy: -19.747 flat angles P-C4'-P energy: -9.683 tors. eta vs tors. theta energy: -13.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -125.256884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.256884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.256884 (E_RNA) where: Base-Base interactions energy: -58.451 where: short stacking energy: -58.437 Base-Backbone interact. energy: -0.126 local terms energy: -66.680337 where: bonds (distance) C4'-P energy: -8.134 bonds (distance) P-C4' energy: -15.854 flat angles C4'-P-C4' energy: -19.559 flat angles P-C4'-P energy: -12.441 tors. eta vs tors. theta energy: -10.692 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: 73 Temperature: 1.300000 Total energy: -120.697809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.697809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.697809 (E_RNA) where: Base-Base interactions energy: -62.906 where: short stacking energy: -62.906 Base-Backbone interact. energy: -1.473 local terms energy: -56.318163 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -13.612 flat angles P-C4'-P energy: -1.593 tors. eta vs tors. theta energy: -13.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -108.787668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.787668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.787668 (E_RNA) where: Base-Base interactions energy: -47.330 where: short stacking energy: -47.330 Base-Backbone interact. energy: -0.651 local terms energy: -60.806585 where: bonds (distance) C4'-P energy: -13.020 bonds (distance) P-C4' energy: -20.004 flat angles C4'-P-C4' energy: -13.077 flat angles P-C4'-P energy: -8.217 tors. eta vs tors. theta energy: -6.488 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: 6 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -217.084903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.084903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.084903 (E_RNA) where: Base-Base interactions energy: -115.609 where: short stacking energy: -115.609 Base-Backbone interact. energy: -0.094 local terms energy: -101.381822 where: bonds (distance) C4'-P energy: -18.890 bonds (distance) P-C4' energy: -21.391 flat angles C4'-P-C4' energy: -18.169 flat angles P-C4'-P energy: -15.715 tors. eta vs tors. theta energy: -27.217 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: 2, replica: 7 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -208.884170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.884170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.884170 (E_RNA) where: Base-Base interactions energy: -115.440 where: short stacking energy: -115.440 Base-Backbone interact. energy: -0.003 local terms energy: -93.441867 where: bonds (distance) C4'-P energy: -16.245 bonds (distance) P-C4' energy: -12.700 flat angles C4'-P-C4' energy: -20.582 flat angles P-C4'-P energy: -17.328 tors. eta vs tors. theta energy: -26.587 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: 9 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -191.590502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.590502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.590502 (E_RNA) where: Base-Base interactions energy: -102.416 where: short stacking energy: -102.416 Base-Backbone interact. energy: -0.018 local terms energy: -89.156301 where: bonds (distance) C4'-P energy: -14.676 bonds (distance) P-C4' energy: -20.111 flat angles C4'-P-C4' energy: -19.704 flat angles P-C4'-P energy: -12.352 tors. eta vs tors. theta energy: -22.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -160.888048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.888048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.888048 (E_RNA) where: Base-Base interactions energy: -86.227 where: short stacking energy: -86.227 Base-Backbone interact. energy: -0.262 local terms energy: -74.399017 where: bonds (distance) C4'-P energy: -16.055 bonds (distance) P-C4' energy: -12.097 flat angles C4'-P-C4' energy: -19.206 flat angles P-C4'-P energy: -9.178 tors. eta vs tors. theta energy: -17.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -172.585428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.585428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.585428 (E_RNA) where: Base-Base interactions energy: -86.178 where: short stacking energy: -86.178 Base-Backbone interact. energy: -0.409 local terms energy: -85.998606 where: bonds (distance) C4'-P energy: -18.153 bonds (distance) P-C4' energy: -20.123 flat angles C4'-P-C4' energy: -15.327 flat angles P-C4'-P energy: -11.540 tors. eta vs tors. theta energy: -20.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -157.470861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.470861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.470861 (E_RNA) where: Base-Base interactions energy: -79.245 where: short stacking energy: -79.245 Base-Backbone interact. energy: -0.133 local terms energy: -78.092746 where: bonds (distance) C4'-P energy: -12.374 bonds (distance) P-C4' energy: -19.386 flat angles C4'-P-C4' energy: -19.066 flat angles P-C4'-P energy: -12.125 tors. eta vs tors. theta energy: -15.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -155.890500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.890500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.890500 (E_RNA) where: Base-Base interactions energy: -89.654 where: short stacking energy: -89.654 Base-Backbone interact. energy: -0.084 local terms energy: -66.152017 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -15.666 flat angles C4'-P-C4' energy: -13.263 flat angles P-C4'-P energy: -11.648 tors. eta vs tors. theta energy: -12.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -129.376177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.376177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.376177 (E_RNA) where: Base-Base interactions energy: -62.437 where: short stacking energy: -62.437 Base-Backbone interact. energy: -0.017 local terms energy: -66.922674 where: bonds (distance) C4'-P energy: -17.006 bonds (distance) P-C4' energy: -17.174 flat angles C4'-P-C4' energy: -10.219 flat angles P-C4'-P energy: -9.355 tors. eta vs tors. theta energy: -13.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -130.102676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.102676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.102676 (E_RNA) where: Base-Base interactions energy: -61.575 where: short stacking energy: -61.575 Base-Backbone interact. energy: 0.238 local terms energy: -68.766081 where: bonds (distance) C4'-P energy: -13.741 bonds (distance) P-C4' energy: -17.234 flat angles C4'-P-C4' energy: -16.280 flat angles P-C4'-P energy: -13.460 tors. eta vs tors. theta energy: -8.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -110.597896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.597896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.597896 (E_RNA) where: Base-Base interactions energy: -50.912 where: short stacking energy: -50.912 Base-Backbone interact. energy: -0.135 local terms energy: -59.551141 where: bonds (distance) C4'-P energy: -12.294 bonds (distance) P-C4' energy: -16.613 flat angles C4'-P-C4' energy: -14.996 flat angles P-C4'-P energy: -9.429 tors. eta vs tors. theta energy: -6.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -220.536277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.536277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.536277 (E_RNA) where: Base-Base interactions energy: -119.045 where: short stacking energy: -119.045 Base-Backbone interact. energy: -0.000 local terms energy: -101.490770 where: bonds (distance) C4'-P energy: -18.071 bonds (distance) P-C4' energy: -19.696 flat angles C4'-P-C4' energy: -20.132 flat angles P-C4'-P energy: -13.701 tors. eta vs tors. theta energy: -29.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -184.599701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.599701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.599701 (E_RNA) where: Base-Base interactions energy: -98.256 where: short stacking energy: -99.419 Base-Backbone interact. energy: -0.010 local terms energy: -86.333382 where: bonds (distance) C4'-P energy: -15.396 bonds (distance) P-C4' energy: -20.805 flat angles C4'-P-C4' energy: -20.451 flat angles P-C4'-P energy: -11.193 tors. eta vs tors. theta energy: -18.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -180.192647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.192647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.192647 (E_RNA) where: Base-Base interactions energy: -99.364 where: short stacking energy: -99.364 Base-Backbone interact. energy: 0.832 local terms energy: -81.660517 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -18.773 flat angles C4'-P-C4' energy: -15.266 flat angles P-C4'-P energy: -12.038 tors. eta vs tors. theta energy: -22.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -161.626477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.626477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.626477 (E_RNA) where: Base-Base interactions energy: -86.193 where: short stacking energy: -86.193 Base-Backbone interact. energy: -0.005 local terms energy: -75.428412 where: bonds (distance) C4'-P energy: -17.434 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -16.935 flat angles P-C4'-P energy: -9.524 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: 5, replica: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -161.324152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.324152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.324152 (E_RNA) where: Base-Base interactions energy: -81.318 where: short stacking energy: -81.318 Base-Backbone interact. energy: -0.165 local terms energy: -79.841418 where: bonds (distance) C4'-P energy: -17.854 bonds (distance) P-C4' energy: -16.283 flat angles C4'-P-C4' energy: -20.039 flat angles P-C4'-P energy: -11.167 tors. eta vs tors. theta energy: -14.499 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: 6, replica: 1 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -153.536008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.536008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.536008 (E_RNA) where: Base-Base interactions energy: -79.288 where: short stacking energy: -79.288 Base-Backbone interact. energy: -0.417 local terms energy: -73.831321 where: bonds (distance) C4'-P energy: -14.154 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -13.772 flat angles P-C4'-P energy: -12.641 tors. eta vs tors. theta energy: -16.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -144.750185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.750185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.750185 (E_RNA) where: Base-Base interactions energy: -73.670 where: short stacking energy: -73.670 Base-Backbone interact. energy: -0.211 local terms energy: -70.868544 where: bonds (distance) C4'-P energy: -13.234 bonds (distance) P-C4' energy: -20.498 flat angles C4'-P-C4' energy: -18.534 flat angles P-C4'-P energy: -11.560 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: 8, replica: 5 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -122.553682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.553682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.553682 (E_RNA) where: Base-Base interactions energy: -60.905 where: short stacking energy: -60.905 Base-Backbone interact. energy: 0.411 local terms energy: -62.059215 where: bonds (distance) C4'-P energy: -18.642 bonds (distance) P-C4' energy: -16.217 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -12.384 tors. eta vs tors. theta energy: -7.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -117.259428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.259428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.259428 (E_RNA) where: Base-Base interactions energy: -56.623 where: short stacking energy: -56.623 Base-Backbone interact. energy: -0.427 local terms energy: -60.209024 where: bonds (distance) C4'-P energy: -13.752 bonds (distance) P-C4' energy: -15.817 flat angles C4'-P-C4' energy: -9.101 flat angles P-C4'-P energy: -14.387 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: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -124.059416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.059416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.059416 (E_RNA) where: Base-Base interactions energy: -57.276 where: short stacking energy: -56.449 Base-Backbone interact. energy: -0.131 local terms energy: -66.652416 where: bonds (distance) C4'-P energy: -15.760 bonds (distance) P-C4' energy: -17.744 flat angles C4'-P-C4' energy: -15.099 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: -8.630 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: 6 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -231.158292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.158292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.158292 (E_RNA) where: Base-Base interactions energy: -130.290 where: short stacking energy: -130.290 Base-Backbone interact. energy: -0.000 local terms energy: -100.867900 where: bonds (distance) C4'-P energy: -16.055 bonds (distance) P-C4' energy: -20.326 flat angles C4'-P-C4' energy: -21.578 flat angles P-C4'-P energy: -12.060 tors. eta vs tors. theta energy: -30.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -188.861373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.861373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.861373 (E_RNA) where: Base-Base interactions energy: -103.405 where: short stacking energy: -103.405 Base-Backbone interact. energy: -0.121 local terms energy: -85.335248 where: bonds (distance) C4'-P energy: -17.594 bonds (distance) P-C4' energy: -18.927 flat angles C4'-P-C4' energy: -16.334 flat angles P-C4'-P energy: -13.834 tors. eta vs tors. theta energy: -18.646 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: 9 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -171.838085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.838085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.838085 (E_RNA) where: Base-Base interactions energy: -82.571 where: short stacking energy: -82.571 Base-Backbone interact. energy: -0.062 local terms energy: -89.204853 where: bonds (distance) C4'-P energy: -16.411 bonds (distance) P-C4' energy: -22.445 flat angles C4'-P-C4' energy: -21.364 flat angles P-C4'-P energy: -12.696 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: 4, replica: 4 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -181.364803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.364803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.364803 (E_RNA) where: Base-Base interactions energy: -94.511 where: short stacking energy: -94.511 Base-Backbone interact. energy: -0.447 local terms energy: -86.406671 where: bonds (distance) C4'-P energy: -15.888 bonds (distance) P-C4' energy: -16.505 flat angles C4'-P-C4' energy: -14.868 flat angles P-C4'-P energy: -16.430 tors. eta vs tors. theta energy: -22.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -162.810417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.810417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.810417 (E_RNA) where: Base-Base interactions energy: -81.136 where: short stacking energy: -81.136 Base-Backbone interact. energy: -0.006 local terms energy: -81.668088 where: bonds (distance) C4'-P energy: -17.889 bonds (distance) P-C4' energy: -16.133 flat angles C4'-P-C4' energy: -17.941 flat angles P-C4'-P energy: -14.913 tors. eta vs tors. theta energy: -14.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -144.965671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.965671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.965671 (E_RNA) where: Base-Base interactions energy: -68.514 where: short stacking energy: -68.514 Base-Backbone interact. energy: 2.288 local terms energy: -78.740009 where: bonds (distance) C4'-P energy: -21.667 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -14.683 flat angles P-C4'-P energy: -13.627 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: 7, replica: 5 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -130.288673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.288673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.288673 (E_RNA) where: Base-Base interactions energy: -56.841 where: short stacking energy: -54.320 Base-Backbone interact. energy: -1.203 local terms energy: -72.244221 where: bonds (distance) C4'-P energy: -15.624 bonds (distance) P-C4' energy: -18.915 flat angles C4'-P-C4' energy: -14.879 flat angles P-C4'-P energy: -14.181 tors. eta vs tors. theta energy: -8.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -133.893729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.893729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.893729 (E_RNA) where: Base-Base interactions energy: -68.225 where: short stacking energy: -68.225 Base-Backbone interact. energy: 0.382 local terms energy: -66.051063 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -15.701 flat angles C4'-P-C4' energy: -14.731 flat angles P-C4'-P energy: -8.763 tors. eta vs tors. theta energy: -13.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -119.294622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.294622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.294622 (E_RNA) where: Base-Base interactions energy: -56.244 where: short stacking energy: -56.244 Base-Backbone interact. energy: -0.550 local terms energy: -62.500517 where: bonds (distance) C4'-P energy: -14.448 bonds (distance) P-C4' energy: -15.563 flat angles C4'-P-C4' energy: -16.872 flat angles P-C4'-P energy: -11.059 tors. eta vs tors. theta energy: -4.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -108.601782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.601782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.601782 (E_RNA) where: Base-Base interactions energy: -52.691 where: short stacking energy: -47.552 Base-Backbone interact. energy: -0.047 local terms energy: -55.863570 where: bonds (distance) C4'-P energy: -14.635 bonds (distance) P-C4' energy: -20.979 flat angles C4'-P-C4' energy: -8.728 flat angles P-C4'-P energy: -4.406 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: 1, replica: 6 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -223.684054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.684054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.684054 (E_RNA) where: Base-Base interactions energy: -118.608 where: short stacking energy: -118.608 Base-Backbone interact. energy: -0.000 local terms energy: -105.076410 where: bonds (distance) C4'-P energy: -18.196 bonds (distance) P-C4' energy: -18.227 flat angles C4'-P-C4' energy: -20.713 flat angles P-C4'-P energy: -16.428 tors. eta vs tors. theta energy: -31.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -194.410022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.410022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.410022 (E_RNA) where: Base-Base interactions energy: -101.309 where: short stacking energy: -101.309 Base-Backbone interact. energy: -0.778 local terms energy: -92.323483 where: bonds (distance) C4'-P energy: -17.090 bonds (distance) P-C4' energy: -21.010 flat angles C4'-P-C4' energy: -21.622 flat angles P-C4'-P energy: -12.810 tors. eta vs tors. theta energy: -19.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -194.804554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.804554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.804554 (E_RNA) where: Base-Base interactions energy: -106.116 where: short stacking energy: -106.116 Base-Backbone interact. energy: -0.008 local terms energy: -88.680569 where: bonds (distance) C4'-P energy: -18.079 bonds (distance) P-C4' energy: -19.474 flat angles C4'-P-C4' energy: -15.422 flat angles P-C4'-P energy: -11.463 tors. eta vs tors. theta energy: -24.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -185.458313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.458313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.458313 (E_RNA) where: Base-Base interactions energy: -98.133 where: short stacking energy: -98.133 Base-Backbone interact. energy: -0.198 local terms energy: -87.127631 where: bonds (distance) C4'-P energy: -15.533 bonds (distance) P-C4' energy: -21.375 flat angles C4'-P-C4' energy: -18.960 flat angles P-C4'-P energy: -13.174 tors. eta vs tors. theta energy: -18.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -183.409040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.409040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.409040 (E_RNA) where: Base-Base interactions energy: -96.544 where: short stacking energy: -96.544 Base-Backbone interact. energy: -0.082 local terms energy: -86.783006 where: bonds (distance) C4'-P energy: -16.589 bonds (distance) P-C4' energy: -20.166 flat angles C4'-P-C4' energy: -17.408 flat angles P-C4'-P energy: -14.143 tors. eta vs tors. theta energy: -18.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -149.304592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.304592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.304592 (E_RNA) where: Base-Base interactions energy: -76.480 where: short stacking energy: -71.512 Base-Backbone interact. energy: -0.619 local terms energy: -72.205207 where: bonds (distance) C4'-P energy: -18.650 bonds (distance) P-C4' energy: -17.161 flat angles C4'-P-C4' energy: -15.253 flat angles P-C4'-P energy: -11.137 tors. eta vs tors. theta energy: -10.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -143.545756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.545756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.545756 (E_RNA) where: Base-Base interactions energy: -74.341 where: short stacking energy: -75.941 Base-Backbone interact. energy: 0.013 local terms energy: -69.217814 where: bonds (distance) C4'-P energy: -9.741 bonds (distance) P-C4' energy: -18.960 flat angles C4'-P-C4' energy: -16.069 flat angles P-C4'-P energy: -11.649 tors. eta vs tors. theta energy: -12.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -158.961059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.961059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.961059 (E_RNA) where: Base-Base interactions energy: -82.207 where: short stacking energy: -76.616 Base-Backbone interact. energy: -2.732 local terms energy: -74.021535 where: bonds (distance) C4'-P energy: -17.570 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -14.621 flat angles P-C4'-P energy: -7.787 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: 9, replica: 8 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -121.713070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.713070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.713070 (E_RNA) where: Base-Base interactions energy: -53.913 where: short stacking energy: -53.913 Base-Backbone interact. energy: -0.010 local terms energy: -67.790468 where: bonds (distance) C4'-P energy: -14.639 bonds (distance) P-C4' energy: -20.894 flat angles C4'-P-C4' energy: -17.597 flat angles P-C4'-P energy: -5.558 tors. eta vs tors. theta energy: -9.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -117.307641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.307641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.307641 (E_RNA) where: Base-Base interactions energy: -47.944 where: short stacking energy: -47.944 Base-Backbone interact. energy: -0.323 local terms energy: -69.040467 where: bonds (distance) C4'-P energy: -17.533 bonds (distance) P-C4' energy: -18.101 flat angles C4'-P-C4' energy: -15.975 flat angles P-C4'-P energy: -8.948 tors. eta vs tors. theta energy: -8.484 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: 1, replica: 6 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -214.748128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.748128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.748128 (E_RNA) where: Base-Base interactions energy: -119.778 where: short stacking energy: -119.778 Base-Backbone interact. energy: -0.000 local terms energy: -94.970154 where: bonds (distance) C4'-P energy: -15.906 bonds (distance) P-C4' energy: -19.543 flat angles C4'-P-C4' energy: -18.262 flat angles P-C4'-P energy: -13.765 tors. eta vs tors. theta energy: -27.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -202.803274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.803274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.803274 (E_RNA) where: Base-Base interactions energy: -109.830 where: short stacking energy: -109.830 Base-Backbone interact. energy: -0.002 local terms energy: -92.971330 where: bonds (distance) C4'-P energy: -17.281 bonds (distance) P-C4' energy: -20.781 flat angles C4'-P-C4' energy: -18.758 flat angles P-C4'-P energy: -13.306 tors. eta vs tors. theta energy: -22.846 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: 9 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -206.048949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.048949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.048949 (E_RNA) where: Base-Base interactions energy: -112.220 where: short stacking energy: -112.220 Base-Backbone interact. energy: -0.002 local terms energy: -93.826790 where: bonds (distance) C4'-P energy: -16.721 bonds (distance) P-C4' energy: -18.466 flat angles C4'-P-C4' energy: -21.476 flat angles P-C4'-P energy: -11.519 tors. eta vs tors. theta energy: -25.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -181.112468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.112468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.112468 (E_RNA) where: Base-Base interactions energy: -90.789 where: short stacking energy: -90.789 Base-Backbone interact. energy: -0.927 local terms energy: -89.396309 where: bonds (distance) C4'-P energy: -18.630 bonds (distance) P-C4' energy: -15.859 flat angles C4'-P-C4' energy: -21.772 flat angles P-C4'-P energy: -11.494 tors. eta vs tors. theta energy: -21.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -168.159518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.159518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.159518 (E_RNA) where: Base-Base interactions energy: -83.847 where: short stacking energy: -83.651 Base-Backbone interact. energy: -0.056 local terms energy: -84.255659 where: bonds (distance) C4'-P energy: -18.436 bonds (distance) P-C4' energy: -18.439 flat angles C4'-P-C4' energy: -18.038 flat angles P-C4'-P energy: -10.112 tors. eta vs tors. theta energy: -19.230 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: 1 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -153.024692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.024692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.024692 (E_RNA) where: Base-Base interactions energy: -80.941 where: short stacking energy: -80.941 Base-Backbone interact. energy: -0.005 local terms energy: -72.078364 where: bonds (distance) C4'-P energy: -18.390 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -14.088 flat angles P-C4'-P energy: -13.043 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: 7, replica: 5 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -155.916792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.916792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.916792 (E_RNA) where: Base-Base interactions energy: -79.636 where: short stacking energy: -79.636 Base-Backbone interact. energy: -0.127 local terms energy: -76.154224 where: bonds (distance) C4'-P energy: -19.843 bonds (distance) P-C4' energy: -19.985 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -9.825 tors. eta vs tors. theta energy: -12.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -134.432085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.432085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.432085 (E_RNA) where: Base-Base interactions energy: -61.592 where: short stacking energy: -61.553 Base-Backbone interact. energy: 0.163 local terms energy: -73.002973 where: bonds (distance) C4'-P energy: -15.951 bonds (distance) P-C4' energy: -16.720 flat angles C4'-P-C4' energy: -17.480 flat angles P-C4'-P energy: -11.710 tors. eta vs tors. theta energy: -11.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -113.827281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.827281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.827281 (E_RNA) where: Base-Base interactions energy: -50.109 where: short stacking energy: -50.109 Base-Backbone interact. energy: -0.279 local terms energy: -63.439115 where: bonds (distance) C4'-P energy: -13.492 bonds (distance) P-C4' energy: -16.603 flat angles C4'-P-C4' energy: -14.099 flat angles P-C4'-P energy: -10.729 tors. eta vs tors. theta energy: -8.517 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: 10, replica: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -116.561389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.561389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.561389 (E_RNA) where: Base-Base interactions energy: -55.152 where: short stacking energy: -55.152 Base-Backbone interact. energy: -0.214 local terms energy: -61.195801 where: bonds (distance) C4'-P energy: -8.930 bonds (distance) P-C4' energy: -17.182 flat angles C4'-P-C4' energy: -18.382 flat angles P-C4'-P energy: -13.390 tors. eta vs tors. theta energy: -3.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -220.594194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.594194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.594194 (E_RNA) where: Base-Base interactions energy: -116.730 where: short stacking energy: -116.730 Base-Backbone interact. energy: -0.002 local terms energy: -103.862959 where: bonds (distance) C4'-P energy: -20.969 bonds (distance) P-C4' energy: -16.782 flat angles C4'-P-C4' energy: -19.986 flat angles P-C4'-P energy: -16.583 tors. eta vs tors. theta energy: -29.542 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: 7 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -198.371578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.371578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.371578 (E_RNA) where: Base-Base interactions energy: -100.122 where: short stacking energy: -100.122 Base-Backbone interact. energy: -0.011 local terms energy: -98.238578 where: bonds (distance) C4'-P energy: -18.071 bonds (distance) P-C4' energy: -20.502 flat angles C4'-P-C4' energy: -22.384 flat angles P-C4'-P energy: -12.649 tors. eta vs tors. theta energy: -24.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -211.487361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.487361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.487361 (E_RNA) where: Base-Base interactions energy: -112.897 where: short stacking energy: -112.897 Base-Backbone interact. energy: -0.090 local terms energy: -98.500418 where: bonds (distance) C4'-P energy: -17.386 bonds (distance) P-C4' energy: -21.186 flat angles C4'-P-C4' energy: -18.676 flat angles P-C4'-P energy: -14.348 tors. eta vs tors. theta energy: -26.904 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: 4, replica: 4 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -156.213829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.213829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.213829 (E_RNA) where: Base-Base interactions energy: -73.395 where: short stacking energy: -73.395 Base-Backbone interact. energy: -0.088 local terms energy: -82.731194 where: bonds (distance) C4'-P energy: -17.792 bonds (distance) P-C4' energy: -20.229 flat angles C4'-P-C4' energy: -17.555 flat angles P-C4'-P energy: -13.693 tors. eta vs tors. theta energy: -13.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -163.595927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.595927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.595927 (E_RNA) where: Base-Base interactions energy: -88.079 where: short stacking energy: -85.509 Base-Backbone interact. energy: 0.183 local terms energy: -75.699797 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -12.257 flat angles C4'-P-C4' energy: -20.464 flat angles P-C4'-P energy: -12.915 tors. eta vs tors. theta energy: -15.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -170.518389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.518389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.518389 (E_RNA) where: Base-Base interactions energy: -90.667 where: short stacking energy: -90.667 Base-Backbone interact. energy: -0.126 local terms energy: -79.725140 where: bonds (distance) C4'-P energy: -9.191 bonds (distance) P-C4' energy: -18.265 flat angles C4'-P-C4' energy: -19.094 flat angles P-C4'-P energy: -12.172 tors. eta vs tors. theta energy: -21.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -140.952463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.952463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.952463 (E_RNA) where: Base-Base interactions energy: -61.723 where: short stacking energy: -61.418 Base-Backbone interact. energy: -0.069 local terms energy: -79.160941 where: bonds (distance) C4'-P energy: -17.916 bonds (distance) P-C4' energy: -19.656 flat angles C4'-P-C4' energy: -17.205 flat angles P-C4'-P energy: -11.167 tors. eta vs tors. theta energy: -13.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -140.706180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.706180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.706180 (E_RNA) where: Base-Base interactions energy: -72.729 where: short stacking energy: -72.729 Base-Backbone interact. energy: 0.260 local terms energy: -68.237189 where: bonds (distance) C4'-P energy: -10.259 bonds (distance) P-C4' energy: -19.659 flat angles C4'-P-C4' energy: -19.753 flat angles P-C4'-P energy: -4.814 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: 9, replica: 10 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -117.040651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.040651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.040651 (E_RNA) where: Base-Base interactions energy: -52.014 where: short stacking energy: -52.014 Base-Backbone interact. energy: -0.227 local terms energy: -64.799956 where: bonds (distance) C4'-P energy: -17.612 bonds (distance) P-C4' energy: -15.402 flat angles C4'-P-C4' energy: -11.346 flat angles P-C4'-P energy: -10.916 tors. eta vs tors. theta energy: -9.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -98.647999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.647999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.647999 (E_RNA) where: Base-Base interactions energy: -39.202 where: short stacking energy: -39.202 Base-Backbone interact. energy: -0.255 local terms energy: -59.190635 where: bonds (distance) C4'-P energy: -15.377 bonds (distance) P-C4' energy: -13.767 flat angles C4'-P-C4' energy: -19.587 flat angles P-C4'-P energy: -8.966 tors. eta vs tors. theta energy: -1.494 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: 6 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -220.485512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.485512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.485512 (E_RNA) where: Base-Base interactions energy: -117.290 where: short stacking energy: -117.290 Base-Backbone interact. energy: -0.055 local terms energy: -103.139957 where: bonds (distance) C4'-P energy: -20.123 bonds (distance) P-C4' energy: -18.927 flat angles C4'-P-C4' energy: -19.154 flat angles P-C4'-P energy: -17.058 tors. eta vs tors. theta energy: -27.878 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: 2, replica: 7 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -217.024936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.024936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.024936 (E_RNA) where: Base-Base interactions energy: -121.593 where: short stacking energy: -121.593 Base-Backbone interact. energy: -0.001 local terms energy: -95.431025 where: bonds (distance) C4'-P energy: -15.888 bonds (distance) P-C4' energy: -19.844 flat angles C4'-P-C4' energy: -19.593 flat angles P-C4'-P energy: -12.912 tors. eta vs tors. theta energy: -27.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -175.541402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.541402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.541402 (E_RNA) where: Base-Base interactions energy: -90.161 where: short stacking energy: -90.161 Base-Backbone interact. energy: 2.973 local terms energy: -88.353334 where: bonds (distance) C4'-P energy: -18.241 bonds (distance) P-C4' energy: -18.144 flat angles C4'-P-C4' energy: -19.820 flat angles P-C4'-P energy: -13.750 tors. eta vs tors. theta energy: -18.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -187.892670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.892670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.892670 (E_RNA) where: Base-Base interactions energy: -103.580 where: short stacking energy: -103.580 Base-Backbone interact. energy: -0.578 local terms energy: -83.733921 where: bonds (distance) C4'-P energy: -18.411 bonds (distance) P-C4' energy: -15.791 flat angles C4'-P-C4' energy: -18.433 flat angles P-C4'-P energy: -11.166 tors. eta vs tors. theta energy: -19.932 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: 5 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -163.935573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.935573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.935573 (E_RNA) where: Base-Base interactions energy: -87.069 where: short stacking energy: -84.610 Base-Backbone interact. energy: -0.374 local terms energy: -76.493082 where: bonds (distance) C4'-P energy: -16.957 bonds (distance) P-C4' energy: -17.784 flat angles C4'-P-C4' energy: -18.354 flat angles P-C4'-P energy: -8.652 tors. eta vs tors. theta energy: -14.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -156.244699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.244699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.244699 (E_RNA) where: Base-Base interactions energy: -80.340 where: short stacking energy: -80.165 Base-Backbone interact. energy: 0.196 local terms energy: -76.100745 where: bonds (distance) C4'-P energy: -18.621 bonds (distance) P-C4' energy: -11.564 flat angles C4'-P-C4' energy: -19.379 flat angles P-C4'-P energy: -10.281 tors. eta vs tors. theta energy: -16.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -152.628942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.628942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.628942 (E_RNA) where: Base-Base interactions energy: -75.691 where: short stacking energy: -75.691 Base-Backbone interact. energy: -0.007 local terms energy: -76.930891 where: bonds (distance) C4'-P energy: -14.122 bonds (distance) P-C4' energy: -17.353 flat angles C4'-P-C4' energy: -17.861 flat angles P-C4'-P energy: -9.062 tors. eta vs tors. theta energy: -18.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -130.256335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.256335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.256335 (E_RNA) where: Base-Base interactions energy: -67.773 where: short stacking energy: -67.773 Base-Backbone interact. energy: -0.047 local terms energy: -62.436537 where: bonds (distance) C4'-P energy: -12.282 bonds (distance) P-C4' energy: -17.832 flat angles C4'-P-C4' energy: -9.095 flat angles P-C4'-P energy: -11.598 tors. eta vs tors. theta energy: -11.629 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: 8 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -114.268670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.268670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.268670 (E_RNA) where: Base-Base interactions energy: -59.490 where: short stacking energy: -59.490 Base-Backbone interact. energy: 1.930 local terms energy: -56.708654 where: bonds (distance) C4'-P energy: -9.324 bonds (distance) P-C4' energy: -17.060 flat angles C4'-P-C4' energy: -12.714 flat angles P-C4'-P energy: -10.572 tors. eta vs tors. theta energy: -7.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -133.665520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.665520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.665520 (E_RNA) where: Base-Base interactions energy: -66.257 where: short stacking energy: -66.023 Base-Backbone interact. energy: -0.087 local terms energy: -67.321757 where: bonds (distance) C4'-P energy: -11.021 bonds (distance) P-C4' energy: -13.904 flat angles C4'-P-C4' energy: -16.349 flat angles P-C4'-P energy: -9.340 tors. eta vs tors. theta energy: -16.708 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: 6 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -220.867199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.867199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.867199 (E_RNA) where: Base-Base interactions energy: -121.530 where: short stacking energy: -121.530 Base-Backbone interact. energy: -0.042 local terms energy: -99.295139 where: bonds (distance) C4'-P energy: -17.544 bonds (distance) P-C4' energy: -17.921 flat angles C4'-P-C4' energy: -21.099 flat angles P-C4'-P energy: -14.273 tors. eta vs tors. theta energy: -28.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -210.545321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.545321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.545321 (E_RNA) where: Base-Base interactions energy: -114.798 where: short stacking energy: -114.697 Base-Backbone interact. energy: -0.379 local terms energy: -95.368125 where: bonds (distance) C4'-P energy: -14.837 bonds (distance) P-C4' energy: -19.363 flat angles C4'-P-C4' energy: -19.352 flat angles P-C4'-P energy: -15.180 tors. eta vs tors. theta energy: -26.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -188.239518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.239518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.239518 (E_RNA) where: Base-Base interactions energy: -95.421 where: short stacking energy: -95.421 Base-Backbone interact. energy: -0.710 local terms energy: -92.109318 where: bonds (distance) C4'-P energy: -19.675 bonds (distance) P-C4' energy: -19.136 flat angles C4'-P-C4' energy: -19.495 flat angles P-C4'-P energy: -13.656 tors. eta vs tors. theta energy: -20.147 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: 4 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -184.416539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.416539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.416539 (E_RNA) where: Base-Base interactions energy: -98.128 where: short stacking energy: -98.128 Base-Backbone interact. energy: -0.007 local terms energy: -86.282071 where: bonds (distance) C4'-P energy: -15.864 bonds (distance) P-C4' energy: -18.301 flat angles C4'-P-C4' energy: -18.324 flat angles P-C4'-P energy: -13.282 tors. eta vs tors. theta energy: -20.512 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: 5 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -150.702816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.702816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.702816 (E_RNA) where: Base-Base interactions energy: -72.554 where: short stacking energy: -73.454 Base-Backbone interact. energy: -0.030 local terms energy: -78.119005 where: bonds (distance) C4'-P energy: -16.638 bonds (distance) P-C4' energy: -19.302 flat angles C4'-P-C4' energy: -19.242 flat angles P-C4'-P energy: -9.636 tors. eta vs tors. theta energy: -13.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -151.822497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.822497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.822497 (E_RNA) where: Base-Base interactions energy: -80.111 where: short stacking energy: -80.111 Base-Backbone interact. energy: -0.046 local terms energy: -71.665192 where: bonds (distance) C4'-P energy: -14.467 bonds (distance) P-C4' energy: -18.408 flat angles C4'-P-C4' energy: -14.280 flat angles P-C4'-P energy: -10.952 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: 7, replica: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -151.323972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.323972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.323972 (E_RNA) where: Base-Base interactions energy: -79.588 where: short stacking energy: -78.425 Base-Backbone interact. energy: -0.129 local terms energy: -71.606973 where: bonds (distance) C4'-P energy: -13.020 bonds (distance) P-C4' energy: -20.373 flat angles C4'-P-C4' energy: -18.818 flat angles P-C4'-P energy: -6.589 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: 8, replica: 8 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -129.256440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.256440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.256440 (E_RNA) where: Base-Base interactions energy: -61.010 where: short stacking energy: -61.010 Base-Backbone interact. energy: -0.128 local terms energy: -68.117803 where: bonds (distance) C4'-P energy: -10.176 bonds (distance) P-C4' energy: -21.457 flat angles C4'-P-C4' energy: -17.111 flat angles P-C4'-P energy: -6.217 tors. eta vs tors. theta energy: -13.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -122.499224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.499224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.499224 (E_RNA) where: Base-Base interactions energy: -52.393 where: short stacking energy: -52.393 Base-Backbone interact. energy: -0.159 local terms energy: -69.946944 where: bonds (distance) C4'-P energy: -14.493 bonds (distance) P-C4' energy: -17.160 flat angles C4'-P-C4' energy: -18.576 flat angles P-C4'-P energy: -12.770 tors. eta vs tors. theta energy: -6.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -132.562474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.562474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.562474 (E_RNA) where: Base-Base interactions energy: -66.796 where: short stacking energy: -66.796 Base-Backbone interact. energy: -0.096 local terms energy: -65.670787 where: bonds (distance) C4'-P energy: -12.805 bonds (distance) P-C4' energy: -15.430 flat angles C4'-P-C4' energy: -14.609 flat angles P-C4'-P energy: -9.046 tors. eta vs tors. theta energy: -13.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -211.164124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.164124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.164124 (E_RNA) where: Base-Base interactions energy: -117.549 where: short stacking energy: -117.549 Base-Backbone interact. energy: -0.001 local terms energy: -93.613707 where: bonds (distance) C4'-P energy: -18.075 bonds (distance) P-C4' energy: -18.135 flat angles C4'-P-C4' energy: -17.500 flat angles P-C4'-P energy: -12.743 tors. eta vs tors. theta energy: -27.162 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: 2, replica: 7 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -217.000579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.000579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.000579 (E_RNA) where: Base-Base interactions energy: -116.645 where: short stacking energy: -116.645 Base-Backbone interact. energy: -0.000 local terms energy: -100.355602 where: bonds (distance) C4'-P energy: -18.848 bonds (distance) P-C4' energy: -20.292 flat angles C4'-P-C4' energy: -19.222 flat angles P-C4'-P energy: -14.236 tors. eta vs tors. theta energy: -27.758 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: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -186.120145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.120145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.120145 (E_RNA) where: Base-Base interactions energy: -98.995 where: short stacking energy: -98.995 Base-Backbone interact. energy: -0.016 local terms energy: -87.109591 where: bonds (distance) C4'-P energy: -16.815 bonds (distance) P-C4' energy: -18.640 flat angles C4'-P-C4' energy: -18.131 flat angles P-C4'-P energy: -12.147 tors. eta vs tors. theta energy: -21.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -183.905225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.905225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.905225 (E_RNA) where: Base-Base interactions energy: -95.325 where: short stacking energy: -95.102 Base-Backbone interact. energy: -0.001 local terms energy: -88.579002 where: bonds (distance) C4'-P energy: -18.133 bonds (distance) P-C4' energy: -17.334 flat angles C4'-P-C4' energy: -18.230 flat angles P-C4'-P energy: -14.051 tors. eta vs tors. theta energy: -20.831 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: 82 Temperature: 1.100000 Total energy: -168.849403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.849403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.849403 (E_RNA) where: Base-Base interactions energy: -90.410 where: short stacking energy: -84.510 Base-Backbone interact. energy: -0.135 local terms energy: -78.304455 where: bonds (distance) C4'-P energy: -19.404 bonds (distance) P-C4' energy: -18.520 flat angles C4'-P-C4' energy: -16.330 flat angles P-C4'-P energy: -12.359 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: 6, replica: 5 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -144.986306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.986306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.986306 (E_RNA) where: Base-Base interactions energy: -71.342 where: short stacking energy: -70.126 Base-Backbone interact. energy: -0.180 local terms energy: -73.464143 where: bonds (distance) C4'-P energy: -18.116 bonds (distance) P-C4' energy: -17.462 flat angles C4'-P-C4' energy: -20.202 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -8.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -148.016622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.016622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.016622 (E_RNA) where: Base-Base interactions energy: -69.684 where: short stacking energy: -69.684 Base-Backbone interact. energy: 0.951 local terms energy: -79.284239 where: bonds (distance) C4'-P energy: -20.178 bonds (distance) P-C4' energy: -19.507 flat angles C4'-P-C4' energy: -19.260 flat angles P-C4'-P energy: -11.543 tors. eta vs tors. theta energy: -8.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -136.148650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.148650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.148650 (E_RNA) where: Base-Base interactions energy: -67.729 where: short stacking energy: -67.520 Base-Backbone interact. energy: -0.067 local terms energy: -68.352227 where: bonds (distance) C4'-P energy: -16.233 bonds (distance) P-C4' energy: -14.858 flat angles C4'-P-C4' energy: -18.827 flat angles P-C4'-P energy: -7.457 tors. eta vs tors. theta energy: -10.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -131.567407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.567407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.567407 (E_RNA) where: Base-Base interactions energy: -61.772 where: short stacking energy: -61.772 Base-Backbone interact. energy: 0.482 local terms energy: -70.278162 where: bonds (distance) C4'-P energy: -14.358 bonds (distance) P-C4' energy: -17.371 flat angles C4'-P-C4' energy: -16.649 flat angles P-C4'-P energy: -13.008 tors. eta vs tors. theta energy: -8.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -123.505322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.505322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.505322 (E_RNA) where: Base-Base interactions energy: -60.519 where: short stacking energy: -60.519 Base-Backbone interact. energy: 1.378 local terms energy: -64.364733 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -15.167 flat angles C4'-P-C4' energy: -19.496 flat angles P-C4'-P energy: -12.384 tors. eta vs tors. theta energy: -10.690 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: 1, replica: 6 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -213.179182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.179182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.179182 (E_RNA) where: Base-Base interactions energy: -116.990 where: short stacking energy: -116.990 Base-Backbone interact. energy: -0.010 local terms energy: -96.179405 where: bonds (distance) C4'-P energy: -17.778 bonds (distance) P-C4' energy: -18.269 flat angles C4'-P-C4' energy: -21.163 flat angles P-C4'-P energy: -13.173 tors. eta vs tors. theta energy: -25.796 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: 2, replica: 7 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -217.305603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.305603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.305603 (E_RNA) where: Base-Base interactions energy: -120.407 where: short stacking energy: -120.407 Base-Backbone interact. energy: -0.002 local terms energy: -96.897284 where: bonds (distance) C4'-P energy: -15.710 bonds (distance) P-C4' energy: -21.136 flat angles C4'-P-C4' energy: -20.338 flat angles P-C4'-P energy: -13.834 tors. eta vs tors. theta energy: -25.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -198.797344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.797344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.797344 (E_RNA) where: Base-Base interactions energy: -103.910 where: short stacking energy: -103.910 Base-Backbone interact. energy: -0.349 local terms energy: -94.538107 where: bonds (distance) C4'-P energy: -19.027 bonds (distance) P-C4' energy: -21.669 flat angles C4'-P-C4' energy: -16.972 flat angles P-C4'-P energy: -11.618 tors. eta vs tors. theta energy: -25.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -187.653348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.653348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.653348 (E_RNA) where: Base-Base interactions energy: -107.126 where: short stacking energy: -107.126 Base-Backbone interact. energy: -0.034 local terms energy: -80.493551 where: bonds (distance) C4'-P energy: -14.847 bonds (distance) P-C4' energy: -15.356 flat angles C4'-P-C4' energy: -19.023 flat angles P-C4'-P energy: -9.935 tors. eta vs tors. theta energy: -21.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -170.438470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.438470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.438470 (E_RNA) where: Base-Base interactions energy: -88.267 where: short stacking energy: -88.267 Base-Backbone interact. energy: -0.006 local terms energy: -82.165640 where: bonds (distance) C4'-P energy: -17.541 bonds (distance) P-C4' energy: -16.219 flat angles C4'-P-C4' energy: -21.444 flat angles P-C4'-P energy: -7.910 tors. eta vs tors. theta energy: -19.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -162.950958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.950958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.950958 (E_RNA) where: Base-Base interactions energy: -87.261 where: short stacking energy: -87.161 Base-Backbone interact. energy: 1.026 local terms energy: -76.716331 where: bonds (distance) C4'-P energy: -18.732 bonds (distance) P-C4' energy: -15.700 flat angles C4'-P-C4' energy: -16.960 flat angles P-C4'-P energy: -6.961 tors. eta vs tors. theta energy: -18.363 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: 7, replica: 5 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -146.826318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.826318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.826318 (E_RNA) where: Base-Base interactions energy: -70.659 where: short stacking energy: -70.659 Base-Backbone interact. energy: -0.196 local terms energy: -75.972143 where: bonds (distance) C4'-P energy: -16.933 bonds (distance) P-C4' energy: -17.509 flat angles C4'-P-C4' energy: -16.553 flat angles P-C4'-P energy: -13.469 tors. eta vs tors. theta energy: -11.508 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: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -117.324341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.324341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.324341 (E_RNA) where: Base-Base interactions energy: -55.603 where: short stacking energy: -55.603 Base-Backbone interact. energy: -0.161 local terms energy: -61.560581 where: bonds (distance) C4'-P energy: -15.482 bonds (distance) P-C4' energy: -16.044 flat angles C4'-P-C4' energy: -18.958 flat angles P-C4'-P energy: -7.306 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: 9, replica: 3 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -138.144909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.144909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.144909 (E_RNA) where: Base-Base interactions energy: -58.381 where: short stacking energy: -59.340 Base-Backbone interact. energy: -0.677 local terms energy: -79.087827 where: bonds (distance) C4'-P energy: -17.148 bonds (distance) P-C4' energy: -17.343 flat angles C4'-P-C4' energy: -15.098 flat angles P-C4'-P energy: -13.203 tors. eta vs tors. theta energy: -16.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -124.397780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.397780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.397780 (E_RNA) where: Base-Base interactions energy: -60.351 where: short stacking energy: -57.379 Base-Backbone interact. energy: -0.173 local terms energy: -63.873300 where: bonds (distance) C4'-P energy: -19.230 bonds (distance) P-C4' energy: -15.664 flat angles C4'-P-C4' energy: -11.786 flat angles P-C4'-P energy: -7.858 tors. eta vs tors. theta energy: -9.336 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: 84 Temperature: 0.900000 Total energy: -213.697841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.697841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.697841 (E_RNA) where: Base-Base interactions energy: -115.782 where: short stacking energy: -115.782 Base-Backbone interact. energy: -0.025 local terms energy: -97.891131 where: bonds (distance) C4'-P energy: -19.827 bonds (distance) P-C4' energy: -19.989 flat angles C4'-P-C4' energy: -20.452 flat angles P-C4'-P energy: -11.303 tors. eta vs tors. theta energy: -26.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -206.287400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.287400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.287400 (E_RNA) where: Base-Base interactions energy: -107.741 where: short stacking energy: -107.741 Base-Backbone interact. energy: -1.143 local terms energy: -97.403275 where: bonds (distance) C4'-P energy: -18.328 bonds (distance) P-C4' energy: -20.334 flat angles C4'-P-C4' energy: -20.684 flat angles P-C4'-P energy: -11.841 tors. eta vs tors. theta energy: -26.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -192.112100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.112100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.112100 (E_RNA) where: Base-Base interactions energy: -97.387 where: short stacking energy: -97.687 Base-Backbone interact. energy: -0.006 local terms energy: -94.719358 where: bonds (distance) C4'-P energy: -19.404 bonds (distance) P-C4' energy: -19.580 flat angles C4'-P-C4' energy: -19.663 flat angles P-C4'-P energy: -12.525 tors. eta vs tors. theta energy: -23.548 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: 4 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -175.948741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.948741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.948741 (E_RNA) where: Base-Base interactions energy: -86.301 where: short stacking energy: -86.301 Base-Backbone interact. energy: 0.526 local terms energy: -90.173920 where: bonds (distance) C4'-P energy: -17.247 bonds (distance) P-C4' energy: -20.390 flat angles C4'-P-C4' energy: -20.321 flat angles P-C4'-P energy: -12.014 tors. eta vs tors. theta energy: -20.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -162.019652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.019652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.019652 (E_RNA) where: Base-Base interactions energy: -86.913 where: short stacking energy: -86.913 Base-Backbone interact. energy: -0.002 local terms energy: -75.104927 where: bonds (distance) C4'-P energy: -15.011 bonds (distance) P-C4' energy: -19.752 flat angles C4'-P-C4' energy: -14.756 flat angles P-C4'-P energy: -12.728 tors. eta vs tors. theta energy: -12.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -143.385496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.385496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.385496 (E_RNA) where: Base-Base interactions energy: -71.266 where: short stacking energy: -66.821 Base-Backbone interact. energy: -0.518 local terms energy: -71.601807 where: bonds (distance) C4'-P energy: -16.261 bonds (distance) P-C4' energy: -19.181 flat angles C4'-P-C4' energy: -13.483 flat angles P-C4'-P energy: -11.833 tors. eta vs tors. theta energy: -10.844 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: 5 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -135.963048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.963048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.963048 (E_RNA) where: Base-Base interactions energy: -63.222 where: short stacking energy: -63.222 Base-Backbone interact. energy: -0.016 local terms energy: -72.725755 where: bonds (distance) C4'-P energy: -18.215 bonds (distance) P-C4' energy: -16.191 flat angles C4'-P-C4' energy: -17.921 flat angles P-C4'-P energy: -11.097 tors. eta vs tors. theta energy: -9.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -130.657309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.657309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.657309 (E_RNA) where: Base-Base interactions energy: -60.954 where: short stacking energy: -60.954 Base-Backbone interact. energy: -0.051 local terms energy: -69.652043 where: bonds (distance) C4'-P energy: -16.129 bonds (distance) P-C4' energy: -18.448 flat angles C4'-P-C4' energy: -16.468 flat angles P-C4'-P energy: -6.866 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: 9, replica: 3 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -124.175264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.175264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.175264 (E_RNA) where: Base-Base interactions energy: -47.695 where: short stacking energy: -45.800 Base-Backbone interact. energy: 0.579 local terms energy: -77.059585 where: bonds (distance) C4'-P energy: -19.730 bonds (distance) P-C4' energy: -18.861 flat angles C4'-P-C4' energy: -11.869 flat angles P-C4'-P energy: -14.282 tors. eta vs tors. theta energy: -12.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -107.167259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.167259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.167259 (E_RNA) where: Base-Base interactions energy: -44.109 where: short stacking energy: -44.109 Base-Backbone interact. energy: -0.267 local terms energy: -62.790814 where: bonds (distance) C4'-P energy: -10.251 bonds (distance) P-C4' energy: -19.470 flat angles C4'-P-C4' energy: -14.225 flat angles P-C4'-P energy: -11.220 tors. eta vs tors. theta energy: -7.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -222.545455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.545455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.545455 (E_RNA) where: Base-Base interactions energy: -122.929 where: short stacking energy: -122.929 Base-Backbone interact. energy: -0.006 local terms energy: -99.610855 where: bonds (distance) C4'-P energy: -21.098 bonds (distance) P-C4' energy: -16.038 flat angles C4'-P-C4' energy: -21.694 flat angles P-C4'-P energy: -12.013 tors. eta vs tors. theta energy: -28.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -200.458438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.458438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.458438 (E_RNA) where: Base-Base interactions energy: -106.393 where: short stacking energy: -106.393 Base-Backbone interact. energy: -0.749 local terms energy: -93.316155 where: bonds (distance) C4'-P energy: -15.828 bonds (distance) P-C4' energy: -22.148 flat angles C4'-P-C4' energy: -18.761 flat angles P-C4'-P energy: -11.124 tors. eta vs tors. theta energy: -25.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -185.641955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.641955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.641955 (E_RNA) where: Base-Base interactions energy: -97.456 where: short stacking energy: -96.767 Base-Backbone interact. energy: -0.131 local terms energy: -88.054936 where: bonds (distance) C4'-P energy: -16.700 bonds (distance) P-C4' energy: -18.141 flat angles C4'-P-C4' energy: -18.156 flat angles P-C4'-P energy: -14.446 tors. eta vs tors. theta energy: -20.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -189.142150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.142150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.142150 (E_RNA) where: Base-Base interactions energy: -102.510 where: short stacking energy: -102.176 Base-Backbone interact. energy: -0.001 local terms energy: -86.631385 where: bonds (distance) C4'-P energy: -17.852 bonds (distance) P-C4' energy: -15.775 flat angles C4'-P-C4' energy: -17.820 flat angles P-C4'-P energy: -14.627 tors. eta vs tors. theta energy: -20.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -176.214980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.214980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.214980 (E_RNA) where: Base-Base interactions energy: -100.032 where: short stacking energy: -100.032 Base-Backbone interact. energy: -0.004 local terms energy: -76.179076 where: bonds (distance) C4'-P energy: -16.191 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -16.242 flat angles P-C4'-P energy: -10.713 tors. eta vs tors. theta energy: -20.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -163.579468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.579468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.579468 (E_RNA) where: Base-Base interactions energy: -82.499 where: short stacking energy: -82.499 Base-Backbone interact. energy: -0.776 local terms energy: -80.304071 where: bonds (distance) C4'-P energy: -12.275 bonds (distance) P-C4' energy: -20.373 flat angles C4'-P-C4' energy: -20.082 flat angles P-C4'-P energy: -9.661 tors. eta vs tors. theta energy: -17.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -142.895098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.895098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.895098 (E_RNA) where: Base-Base interactions energy: -72.042 where: short stacking energy: -67.451 Base-Backbone interact. energy: -0.432 local terms energy: -70.421046 where: bonds (distance) C4'-P energy: -11.626 bonds (distance) P-C4' energy: -14.642 flat angles C4'-P-C4' energy: -20.059 flat angles P-C4'-P energy: -15.117 tors. eta vs tors. theta energy: -8.976 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: 8, replica: 3 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -134.499548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.499548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.499548 (E_RNA) where: Base-Base interactions energy: -66.240 where: short stacking energy: -66.240 Base-Backbone interact. energy: -0.163 local terms energy: -68.097144 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -13.122 flat angles C4'-P-C4' energy: -18.801 flat angles P-C4'-P energy: -12.370 tors. eta vs tors. theta energy: -16.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -117.438348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.438348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.438348 (E_RNA) where: Base-Base interactions energy: -48.351 where: short stacking energy: -47.686 Base-Backbone interact. energy: -0.188 local terms energy: -68.899267 where: bonds (distance) C4'-P energy: -16.879 bonds (distance) P-C4' energy: -17.463 flat angles C4'-P-C4' energy: -19.517 flat angles P-C4'-P energy: -8.685 tors. eta vs tors. theta energy: -6.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -122.694803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.694803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.694803 (E_RNA) where: Base-Base interactions energy: -57.164 where: short stacking energy: -56.117 Base-Backbone interact. energy: -0.562 local terms energy: -64.969227 where: bonds (distance) C4'-P energy: -19.383 bonds (distance) P-C4' energy: -19.391 flat angles C4'-P-C4' energy: -10.459 flat angles P-C4'-P energy: -6.296 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: 1, replica: 6 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -218.637349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.637349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.637349 (E_RNA) where: Base-Base interactions energy: -117.590 where: short stacking energy: -117.590 Base-Backbone interact. energy: -0.020 local terms energy: -101.027089 where: bonds (distance) C4'-P energy: -17.726 bonds (distance) P-C4' energy: -20.918 flat angles C4'-P-C4' energy: -20.214 flat angles P-C4'-P energy: -14.297 tors. eta vs tors. theta energy: -27.872 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: 86 Temperature: 0.950000 Total energy: -210.464297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.464297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.464297 (E_RNA) where: Base-Base interactions energy: -116.119 where: short stacking energy: -116.119 Base-Backbone interact. energy: -0.003 local terms energy: -94.342703 where: bonds (distance) C4'-P energy: -17.573 bonds (distance) P-C4' energy: -20.105 flat angles C4'-P-C4' energy: -18.148 flat angles P-C4'-P energy: -12.646 tors. eta vs tors. theta energy: -25.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -197.903715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.903715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.903715 (E_RNA) where: Base-Base interactions energy: -102.378 where: short stacking energy: -102.378 Base-Backbone interact. energy: -0.019 local terms energy: -95.506515 where: bonds (distance) C4'-P energy: -19.218 bonds (distance) P-C4' energy: -21.834 flat angles C4'-P-C4' energy: -16.959 flat angles P-C4'-P energy: -14.265 tors. eta vs tors. theta energy: -23.230 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: 9 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -175.503432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.503432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.503432 (E_RNA) where: Base-Base interactions energy: -93.150 where: short stacking energy: -93.150 Base-Backbone interact. energy: -0.000 local terms energy: -82.352561 where: bonds (distance) C4'-P energy: -16.401 bonds (distance) P-C4' energy: -20.619 flat angles C4'-P-C4' energy: -17.012 flat angles P-C4'-P energy: -8.810 tors. eta vs tors. theta energy: -19.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -156.082612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.082612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.082612 (E_RNA) where: Base-Base interactions energy: -83.319 where: short stacking energy: -83.319 Base-Backbone interact. energy: -0.067 local terms energy: -72.696445 where: bonds (distance) C4'-P energy: -8.380 bonds (distance) P-C4' energy: -22.582 flat angles C4'-P-C4' energy: -15.972 flat angles P-C4'-P energy: -8.003 tors. eta vs tors. theta energy: -17.759 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: 4 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -178.573366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.573366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.573366 (E_RNA) where: Base-Base interactions energy: -94.951 where: short stacking energy: -94.951 Base-Backbone interact. energy: -0.000 local terms energy: -83.622310 where: bonds (distance) C4'-P energy: -17.644 bonds (distance) P-C4' energy: -18.196 flat angles C4'-P-C4' energy: -17.900 flat angles P-C4'-P energy: -7.421 tors. eta vs tors. theta energy: -22.462 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: 86 Temperature: 1.200000 Total energy: -146.437126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.437126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.437126 (E_RNA) where: Base-Base interactions energy: -70.896 where: short stacking energy: -70.896 Base-Backbone interact. energy: 0.084 local terms energy: -75.625271 where: bonds (distance) C4'-P energy: -21.047 bonds (distance) P-C4' energy: -15.596 flat angles C4'-P-C4' energy: -18.787 flat angles P-C4'-P energy: -10.506 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: 8, replica: 3 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -136.224499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.224499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.224499 (E_RNA) where: Base-Base interactions energy: -66.850 where: short stacking energy: -66.591 Base-Backbone interact. energy: -0.004 local terms energy: -69.369900 where: bonds (distance) C4'-P energy: -14.391 bonds (distance) P-C4' energy: -20.382 flat angles C4'-P-C4' energy: -16.813 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -13.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -132.401917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.401917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.401917 (E_RNA) where: Base-Base interactions energy: -62.376 where: short stacking energy: -62.476 Base-Backbone interact. energy: -0.372 local terms energy: -69.653600 where: bonds (distance) C4'-P energy: -15.719 bonds (distance) P-C4' energy: -16.777 flat angles C4'-P-C4' energy: -17.421 flat angles P-C4'-P energy: -10.217 tors. eta vs tors. theta energy: -9.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -108.328268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.328268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.328268 (E_RNA) where: Base-Base interactions energy: -45.020 where: short stacking energy: -45.020 Base-Backbone interact. energy: -0.367 local terms energy: -62.942098 where: bonds (distance) C4'-P energy: -15.674 bonds (distance) P-C4' energy: -16.638 flat angles C4'-P-C4' energy: -14.967 flat angles P-C4'-P energy: -11.701 tors. eta vs tors. theta energy: -3.962 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: 6 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -216.229517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.229517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.229517 (E_RNA) where: Base-Base interactions energy: -123.539 where: short stacking energy: -123.539 Base-Backbone interact. energy: -0.006 local terms energy: -92.685146 where: bonds (distance) C4'-P energy: -16.843 bonds (distance) P-C4' energy: -14.998 flat angles C4'-P-C4' energy: -20.382 flat angles P-C4'-P energy: -12.827 tors. eta vs tors. theta energy: -27.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -208.646739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.646739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.646739 (E_RNA) where: Base-Base interactions energy: -120.444 where: short stacking energy: -120.444 Base-Backbone interact. energy: -0.000 local terms energy: -88.202653 where: bonds (distance) C4'-P energy: -12.946 bonds (distance) P-C4' energy: -19.081 flat angles C4'-P-C4' energy: -18.142 flat angles P-C4'-P energy: -12.376 tors. eta vs tors. theta energy: -25.658 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: 7 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -213.507161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.507161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.507161 (E_RNA) where: Base-Base interactions energy: -120.169 where: short stacking energy: -120.169 Base-Backbone interact. energy: -0.434 local terms energy: -92.904129 where: bonds (distance) C4'-P energy: -16.391 bonds (distance) P-C4' energy: -19.635 flat angles C4'-P-C4' energy: -20.270 flat angles P-C4'-P energy: -7.174 tors. eta vs tors. theta energy: -29.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -159.786813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.786813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.786813 (E_RNA) where: Base-Base interactions energy: -87.888 where: short stacking energy: -87.888 Base-Backbone interact. energy: -0.121 local terms energy: -71.778578 where: bonds (distance) C4'-P energy: -12.337 bonds (distance) P-C4' energy: -16.924 flat angles C4'-P-C4' energy: -20.434 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -18.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -164.195786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.195786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.195786 (E_RNA) where: Base-Base interactions energy: -85.048 where: short stacking energy: -85.048 Base-Backbone interact. energy: -0.025 local terms energy: -79.122646 where: bonds (distance) C4'-P energy: -12.365 bonds (distance) P-C4' energy: -20.567 flat angles C4'-P-C4' energy: -18.829 flat angles P-C4'-P energy: -8.489 tors. eta vs tors. theta energy: -18.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -158.909077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.909077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.909077 (E_RNA) where: Base-Base interactions energy: -78.723 where: short stacking energy: -78.599 Base-Backbone interact. energy: -0.770 local terms energy: -79.416054 where: bonds (distance) C4'-P energy: -19.251 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -15.264 flat angles P-C4'-P energy: -10.815 tors. eta vs tors. theta energy: -19.301 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: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -158.596250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.596250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.596250 (E_RNA) where: Base-Base interactions energy: -78.155 where: short stacking energy: -75.973 Base-Backbone interact. energy: -1.534 local terms energy: -78.906280 where: bonds (distance) C4'-P energy: -18.303 bonds (distance) P-C4' energy: -18.605 flat angles C4'-P-C4' energy: -18.801 flat angles P-C4'-P energy: -12.476 tors. eta vs tors. theta energy: -10.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -127.056363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.056363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.056363 (E_RNA) where: Base-Base interactions energy: -66.523 where: short stacking energy: -66.523 Base-Backbone interact. energy: -0.119 local terms energy: -60.414881 where: bonds (distance) C4'-P energy: -10.814 bonds (distance) P-C4' energy: -17.737 flat angles C4'-P-C4' energy: -11.020 flat angles P-C4'-P energy: -13.644 tors. eta vs tors. theta energy: -7.200 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: 3 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -136.920166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.920166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.920166 (E_RNA) where: Base-Base interactions energy: -66.631 where: short stacking energy: -66.631 Base-Backbone interact. energy: -0.172 local terms energy: -70.117126 where: bonds (distance) C4'-P energy: -11.277 bonds (distance) P-C4' energy: -17.783 flat angles C4'-P-C4' energy: -18.253 flat angles P-C4'-P energy: -13.977 tors. eta vs tors. theta energy: -8.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -119.167097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.167097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.167097 (E_RNA) where: Base-Base interactions energy: -49.459 where: short stacking energy: -49.332 Base-Backbone interact. energy: 0.610 local terms energy: -70.318991 where: bonds (distance) C4'-P energy: -15.732 bonds (distance) P-C4' energy: -13.921 flat angles C4'-P-C4' energy: -17.950 flat angles P-C4'-P energy: -14.273 tors. eta vs tors. theta energy: -8.443 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: 88 Temperature: 0.900000 Total energy: -224.943989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.943989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.943989 (E_RNA) where: Base-Base interactions energy: -125.138 where: short stacking energy: -125.138 Base-Backbone interact. energy: -0.000 local terms energy: -99.806218 where: bonds (distance) C4'-P energy: -17.669 bonds (distance) P-C4' energy: -19.976 flat angles C4'-P-C4' energy: -19.830 flat angles P-C4'-P energy: -12.014 tors. eta vs tors. theta energy: -30.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -215.189697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.189697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.189697 (E_RNA) where: Base-Base interactions energy: -117.958 where: short stacking energy: -117.958 Base-Backbone interact. energy: -0.021 local terms energy: -97.210705 where: bonds (distance) C4'-P energy: -17.938 bonds (distance) P-C4' energy: -19.485 flat angles C4'-P-C4' energy: -17.535 flat angles P-C4'-P energy: -13.700 tors. eta vs tors. theta energy: -28.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -214.331714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.331714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.331714 (E_RNA) where: Base-Base interactions energy: -116.078 where: short stacking energy: -116.078 Base-Backbone interact. energy: -0.000 local terms energy: -98.253883 where: bonds (distance) C4'-P energy: -18.907 bonds (distance) P-C4' energy: -19.926 flat angles C4'-P-C4' energy: -19.165 flat angles P-C4'-P energy: -12.474 tors. eta vs tors. theta energy: -27.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -166.379970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.379970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.379970 (E_RNA) where: Base-Base interactions energy: -89.319 where: short stacking energy: -87.557 Base-Backbone interact. energy: 0.523 local terms energy: -77.584656 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -17.561 flat angles C4'-P-C4' energy: -18.436 flat angles P-C4'-P energy: -11.731 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: 5, replica: 5 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -197.354750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.354750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.354750 (E_RNA) where: Base-Base interactions energy: -109.713 where: short stacking energy: -109.713 Base-Backbone interact. energy: -0.153 local terms energy: -87.488495 where: bonds (distance) C4'-P energy: -18.100 bonds (distance) P-C4' energy: -20.006 flat angles C4'-P-C4' energy: -17.251 flat angles P-C4'-P energy: -7.980 tors. eta vs tors. theta energy: -24.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -153.017132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.017132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.017132 (E_RNA) where: Base-Base interactions energy: -82.439 where: short stacking energy: -76.804 Base-Backbone interact. energy: -0.272 local terms energy: -70.306490 where: bonds (distance) C4'-P energy: -17.569 bonds (distance) P-C4' energy: -17.112 flat angles C4'-P-C4' energy: -19.697 flat angles P-C4'-P energy: -7.655 tors. eta vs tors. theta energy: -8.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -163.032525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.032525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.032525 (E_RNA) where: Base-Base interactions energy: -84.238 where: short stacking energy: -84.238 Base-Backbone interact. energy: -0.159 local terms energy: -78.635227 where: bonds (distance) C4'-P energy: -10.882 bonds (distance) P-C4' energy: -18.995 flat angles C4'-P-C4' energy: -19.193 flat angles P-C4'-P energy: -9.477 tors. eta vs tors. theta energy: -20.088 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: 8, replica: 4 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -139.022269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.022269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.022269 (E_RNA) where: Base-Base interactions energy: -64.183 where: short stacking energy: -64.183 Base-Backbone interact. energy: -0.754 local terms energy: -74.085675 where: bonds (distance) C4'-P energy: -13.509 bonds (distance) P-C4' energy: -20.316 flat angles C4'-P-C4' energy: -16.817 flat angles P-C4'-P energy: -15.345 tors. eta vs tors. theta energy: -8.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -124.076211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.076211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.076211 (E_RNA) where: Base-Base interactions energy: -60.432 where: short stacking energy: -58.656 Base-Backbone interact. energy: -0.485 local terms energy: -63.159268 where: bonds (distance) C4'-P energy: -13.712 bonds (distance) P-C4' energy: -15.723 flat angles C4'-P-C4' energy: -13.336 flat angles P-C4'-P energy: -11.028 tors. eta vs tors. theta energy: -9.360 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: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -117.510939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.510939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.510939 (E_RNA) where: Base-Base interactions energy: -57.343 where: short stacking energy: -56.931 Base-Backbone interact. energy: -0.139 local terms energy: -60.028371 where: bonds (distance) C4'-P energy: -16.141 bonds (distance) P-C4' energy: -10.532 flat angles C4'-P-C4' energy: -14.821 flat angles P-C4'-P energy: -8.949 tors. eta vs tors. theta energy: -9.585 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: 8 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -226.095373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.095373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.095373 (E_RNA) where: Base-Base interactions energy: -124.541 where: short stacking energy: -124.541 Base-Backbone interact. energy: -0.001 local terms energy: -101.553033 where: bonds (distance) C4'-P energy: -20.806 bonds (distance) P-C4' energy: -17.825 flat angles C4'-P-C4' energy: -18.844 flat angles P-C4'-P energy: -13.837 tors. eta vs tors. theta energy: -30.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -214.472645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.472645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.472645 (E_RNA) where: Base-Base interactions energy: -118.077 where: short stacking energy: -118.077 Base-Backbone interact. energy: -0.000 local terms energy: -96.395262 where: bonds (distance) C4'-P energy: -18.107 bonds (distance) P-C4' energy: -18.342 flat angles C4'-P-C4' energy: -19.831 flat angles P-C4'-P energy: -13.755 tors. eta vs tors. theta energy: -26.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -189.469281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.469281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.469281 (E_RNA) where: Base-Base interactions energy: -96.627 where: short stacking energy: -96.627 Base-Backbone interact. energy: -0.109 local terms energy: -92.734067 where: bonds (distance) C4'-P energy: -20.762 bonds (distance) P-C4' energy: -19.651 flat angles C4'-P-C4' energy: -18.312 flat angles P-C4'-P energy: -15.355 tors. eta vs tors. theta energy: -18.654 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: 2 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -164.830816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.830816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.830816 (E_RNA) where: Base-Base interactions energy: -82.680 where: short stacking energy: -78.357 Base-Backbone interact. energy: -2.378 local terms energy: -79.772789 where: bonds (distance) C4'-P energy: -14.022 bonds (distance) P-C4' energy: -20.695 flat angles C4'-P-C4' energy: -20.999 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -15.776 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: 5 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -146.548056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.548056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.548056 (E_RNA) where: Base-Base interactions energy: -70.631 where: short stacking energy: -71.931 Base-Backbone interact. energy: -0.115 local terms energy: -75.801572 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -18.689 flat angles C4'-P-C4' energy: -17.302 flat angles P-C4'-P energy: -13.385 tors. eta vs tors. theta energy: -7.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -157.191158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.191158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.191158 (E_RNA) where: Base-Base interactions energy: -81.782 where: short stacking energy: -81.739 Base-Backbone interact. energy: -0.017 local terms energy: -75.392416 where: bonds (distance) C4'-P energy: -14.945 bonds (distance) P-C4' energy: -17.684 flat angles C4'-P-C4' energy: -18.605 flat angles P-C4'-P energy: -8.535 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: 7, replica: 9 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -146.915011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.915011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.915011 (E_RNA) where: Base-Base interactions energy: -68.716 where: short stacking energy: -68.716 Base-Backbone interact. energy: -0.048 local terms energy: -78.150848 where: bonds (distance) C4'-P energy: -16.535 bonds (distance) P-C4' energy: -16.690 flat angles C4'-P-C4' energy: -18.752 flat angles P-C4'-P energy: -11.734 tors. eta vs tors. theta energy: -14.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -122.467647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.467647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.467647 (E_RNA) where: Base-Base interactions energy: -54.642 where: short stacking energy: -54.642 Base-Backbone interact. energy: -0.058 local terms energy: -67.767802 where: bonds (distance) C4'-P energy: -10.256 bonds (distance) P-C4' energy: -15.464 flat angles C4'-P-C4' energy: -18.901 flat angles P-C4'-P energy: -13.052 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: 9, replica: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -123.267496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.267496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.267496 (E_RNA) where: Base-Base interactions energy: -64.925 where: short stacking energy: -64.292 Base-Backbone interact. energy: -1.725 local terms energy: -56.617790 where: bonds (distance) C4'-P energy: -10.293 bonds (distance) P-C4' energy: -11.719 flat angles C4'-P-C4' energy: -17.756 flat angles P-C4'-P energy: -6.143 tors. eta vs tors. theta energy: -10.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -125.842748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.842748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.842748 (E_RNA) where: Base-Base interactions energy: -60.237 where: short stacking energy: -60.165 Base-Backbone interact. energy: -0.098 local terms energy: -65.507852 where: bonds (distance) C4'-P energy: -16.955 bonds (distance) P-C4' energy: -17.024 flat angles C4'-P-C4' energy: -13.006 flat angles P-C4'-P energy: -12.093 tors. eta vs tors. theta energy: -6.429 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: 1, replica: 6 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -212.809135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.809135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.809135 (E_RNA) where: Base-Base interactions energy: -115.394 where: short stacking energy: -115.394 Base-Backbone interact. energy: -0.078 local terms energy: -97.336894 where: bonds (distance) C4'-P energy: -19.861 bonds (distance) P-C4' energy: -17.458 flat angles C4'-P-C4' energy: -20.504 flat angles P-C4'-P energy: -12.010 tors. eta vs tors. theta energy: -27.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -229.076174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.076174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.076174 (E_RNA) where: Base-Base interactions energy: -132.063 where: short stacking energy: -132.063 Base-Backbone interact. energy: -0.000 local terms energy: -97.013547 where: bonds (distance) C4'-P energy: -13.911 bonds (distance) P-C4' energy: -16.697 flat angles C4'-P-C4' energy: -21.521 flat angles P-C4'-P energy: -13.514 tors. eta vs tors. theta energy: -31.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -187.223013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.223013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.223013 (E_RNA) where: Base-Base interactions energy: -105.194 where: short stacking energy: -103.537 Base-Backbone interact. energy: -0.054 local terms energy: -81.974986 where: bonds (distance) C4'-P energy: -15.886 bonds (distance) P-C4' energy: -19.206 flat angles C4'-P-C4' energy: -15.760 flat angles P-C4'-P energy: -11.130 tors. eta vs tors. theta energy: -19.992 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: 2 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -161.127009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.127009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.127009 (E_RNA) where: Base-Base interactions energy: -87.991 where: short stacking energy: -87.991 Base-Backbone interact. energy: -0.009 local terms energy: -73.127358 where: bonds (distance) C4'-P energy: -15.927 bonds (distance) P-C4' energy: -12.402 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -15.904 tors. eta vs tors. theta energy: -14.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -161.922405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.922405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.922405 (E_RNA) where: Base-Base interactions energy: -86.526 where: short stacking energy: -86.526 Base-Backbone interact. energy: -0.052 local terms energy: -75.343846 where: bonds (distance) C4'-P energy: -11.609 bonds (distance) P-C4' energy: -14.286 flat angles C4'-P-C4' energy: -17.842 flat angles P-C4'-P energy: -14.660 tors. eta vs tors. theta energy: -16.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -151.624930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.624930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.624930 (E_RNA) where: Base-Base interactions energy: -68.314 where: short stacking energy: -68.314 Base-Backbone interact. energy: 0.198 local terms energy: -83.509093 where: bonds (distance) C4'-P energy: -18.012 bonds (distance) P-C4' energy: -19.053 flat angles C4'-P-C4' energy: -14.030 flat angles P-C4'-P energy: -15.047 tors. eta vs tors. theta energy: -17.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -123.344609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.344609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.344609 (E_RNA) where: Base-Base interactions energy: -56.116 where: short stacking energy: -56.300 Base-Backbone interact. energy: -0.273 local terms energy: -66.955599 where: bonds (distance) C4'-P energy: -14.999 bonds (distance) P-C4' energy: -18.932 flat angles C4'-P-C4' energy: -12.879 flat angles P-C4'-P energy: -11.876 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: 8, replica: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -129.372067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.372067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.372067 (E_RNA) where: Base-Base interactions energy: -60.634 where: short stacking energy: -60.634 Base-Backbone interact. energy: -0.375 local terms energy: -68.362850 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -17.291 flat angles C4'-P-C4' energy: -18.129 flat angles P-C4'-P energy: -11.669 tors. eta vs tors. theta energy: -14.009 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: 10 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -108.711115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.711115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.711115 (E_RNA) where: Base-Base interactions energy: -48.185 where: short stacking energy: -48.185 Base-Backbone interact. energy: -0.063 local terms energy: -60.463904 where: bonds (distance) C4'-P energy: -19.001 bonds (distance) P-C4' energy: -14.116 flat angles C4'-P-C4' energy: -16.006 flat angles P-C4'-P energy: -8.394 tors. eta vs tors. theta energy: -2.945 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: 10, replica: 4 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -118.310874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.310874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.310874 (E_RNA) where: Base-Base interactions energy: -53.317 where: short stacking energy: -53.917 Base-Backbone interact. energy: 0.211 local terms energy: -65.205327 where: bonds (distance) C4'-P energy: -15.469 bonds (distance) P-C4' energy: -15.782 flat angles C4'-P-C4' energy: -17.824 flat angles P-C4'-P energy: -7.503 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: 1, replica: 6 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -207.664134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.664134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.664134 (E_RNA) where: Base-Base interactions energy: -108.811 where: short stacking energy: -108.811 Base-Backbone interact. energy: -0.018 local terms energy: -98.834850 where: bonds (distance) C4'-P energy: -20.191 bonds (distance) P-C4' energy: -18.746 flat angles C4'-P-C4' energy: -20.887 flat angles P-C4'-P energy: -16.687 tors. eta vs tors. theta energy: -22.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -223.114431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.114431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.114431 (E_RNA) where: Base-Base interactions energy: -121.842 where: short stacking energy: -121.842 Base-Backbone interact. energy: -0.000 local terms energy: -101.272645 where: bonds (distance) C4'-P energy: -18.348 bonds (distance) P-C4' energy: -18.837 flat angles C4'-P-C4' energy: -18.033 flat angles P-C4'-P energy: -15.067 tors. eta vs tors. theta energy: -30.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -198.690873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.690873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.690873 (E_RNA) where: Base-Base interactions energy: -97.417 where: short stacking energy: -97.417 Base-Backbone interact. energy: -0.004 local terms energy: -101.269817 where: bonds (distance) C4'-P energy: -21.647 bonds (distance) P-C4' energy: -17.985 flat angles C4'-P-C4' energy: -20.526 flat angles P-C4'-P energy: -15.698 tors. eta vs tors. theta energy: -25.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -157.423643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.423643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.423643 (E_RNA) where: Base-Base interactions energy: -72.773 where: short stacking energy: -72.611 Base-Backbone interact. energy: -0.192 local terms energy: -84.458906 where: bonds (distance) C4'-P energy: -20.154 bonds (distance) P-C4' energy: -20.277 flat angles C4'-P-C4' energy: -19.923 flat angles P-C4'-P energy: -13.736 tors. eta vs tors. theta energy: -10.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -174.669291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.669291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.669291 (E_RNA) where: Base-Base interactions energy: -90.257 where: short stacking energy: -90.257 Base-Backbone interact. energy: -0.002 local terms energy: -84.410655 where: bonds (distance) C4'-P energy: -12.771 bonds (distance) P-C4' energy: -18.505 flat angles C4'-P-C4' energy: -20.467 flat angles P-C4'-P energy: -11.930 tors. eta vs tors. theta energy: -20.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -167.117284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.117284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.117284 (E_RNA) where: Base-Base interactions energy: -85.366 where: short stacking energy: -85.366 Base-Backbone interact. energy: 0.922 local terms energy: -82.673210 where: bonds (distance) C4'-P energy: -18.017 bonds (distance) P-C4' energy: -13.756 flat angles C4'-P-C4' energy: -18.481 flat angles P-C4'-P energy: -14.573 tors. eta vs tors. theta energy: -17.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -144.593490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.593490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.593490 (E_RNA) where: Base-Base interactions energy: -71.734 where: short stacking energy: -71.356 Base-Backbone interact. energy: -0.016 local terms energy: -72.843311 where: bonds (distance) C4'-P energy: -13.781 bonds (distance) P-C4' energy: -16.093 flat angles C4'-P-C4' energy: -14.492 flat angles P-C4'-P energy: -12.370 tors. eta vs tors. theta energy: -16.108 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: 91 Temperature: 1.250000 Total energy: -132.025813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.025813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.025813 (E_RNA) where: Base-Base interactions energy: -55.690 where: short stacking energy: -55.443 Base-Backbone interact. energy: -0.245 local terms energy: -76.090849 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -17.873 flat angles C4'-P-C4' energy: -19.027 flat angles P-C4'-P energy: -13.310 tors. eta vs tors. theta energy: -10.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -134.445981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.445981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.445981 (E_RNA) where: Base-Base interactions energy: -62.077 where: short stacking energy: -62.077 Base-Backbone interact. energy: -0.004 local terms energy: -72.364612 where: bonds (distance) C4'-P energy: -11.964 bonds (distance) P-C4' energy: -17.483 flat angles C4'-P-C4' energy: -18.198 flat angles P-C4'-P energy: -10.776 tors. eta vs tors. theta energy: -13.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -114.271661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.271661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.271661 (E_RNA) where: Base-Base interactions energy: -55.522 where: short stacking energy: -55.522 Base-Backbone interact. energy: 0.226 local terms energy: -58.975133 where: bonds (distance) C4'-P energy: -14.691 bonds (distance) P-C4' energy: -11.477 flat angles C4'-P-C4' energy: -16.511 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -7.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -186.283551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.283551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.283551 (E_RNA) where: Base-Base interactions energy: -89.810 where: short stacking energy: -89.810 Base-Backbone interact. energy: -0.004 local terms energy: -96.469871 where: bonds (distance) C4'-P energy: -21.047 bonds (distance) P-C4' energy: -21.750 flat angles C4'-P-C4' energy: -19.986 flat angles P-C4'-P energy: -15.442 tors. eta vs tors. theta energy: -18.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -217.806360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.806360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.806360 (E_RNA) where: Base-Base interactions energy: -115.192 where: short stacking energy: -115.192 Base-Backbone interact. energy: -0.023 local terms energy: -102.591574 where: bonds (distance) C4'-P energy: -21.987 bonds (distance) P-C4' energy: -17.252 flat angles C4'-P-C4' energy: -20.439 flat angles P-C4'-P energy: -16.488 tors. eta vs tors. theta energy: -26.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -200.072778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.072778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.072778 (E_RNA) where: Base-Base interactions energy: -105.147 where: short stacking energy: -105.147 Base-Backbone interact. energy: -0.023 local terms energy: -94.902473 where: bonds (distance) C4'-P energy: -16.873 bonds (distance) P-C4' energy: -19.665 flat angles C4'-P-C4' energy: -21.223 flat angles P-C4'-P energy: -15.463 tors. eta vs tors. theta energy: -21.677 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: 7 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -164.724779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.724779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.724779 (E_RNA) where: Base-Base interactions energy: -78.888 where: short stacking energy: -78.888 Base-Backbone interact. energy: -0.209 local terms energy: -85.627913 where: bonds (distance) C4'-P energy: -19.918 bonds (distance) P-C4' energy: -18.589 flat angles C4'-P-C4' energy: -20.153 flat angles P-C4'-P energy: -12.446 tors. eta vs tors. theta energy: -14.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -168.594151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.594151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.594151 (E_RNA) where: Base-Base interactions energy: -81.172 where: short stacking energy: -81.172 Base-Backbone interact. energy: -0.098 local terms energy: -87.323707 where: bonds (distance) C4'-P energy: -19.676 bonds (distance) P-C4' energy: -18.191 flat angles C4'-P-C4' energy: -17.541 flat angles P-C4'-P energy: -10.733 tors. eta vs tors. theta energy: -21.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -153.830930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.830930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.830930 (E_RNA) where: Base-Base interactions energy: -81.735 where: short stacking energy: -81.735 Base-Backbone interact. energy: 1.398 local terms energy: -73.493572 where: bonds (distance) C4'-P energy: -17.685 bonds (distance) P-C4' energy: -16.875 flat angles C4'-P-C4' energy: -14.834 flat angles P-C4'-P energy: -12.167 tors. eta vs tors. theta energy: -11.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -143.592041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.592041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.592041 (E_RNA) where: Base-Base interactions energy: -73.711 where: short stacking energy: -74.511 Base-Backbone interact. energy: -0.210 local terms energy: -69.671698 where: bonds (distance) C4'-P energy: -14.670 bonds (distance) P-C4' energy: -15.764 flat angles C4'-P-C4' energy: -15.518 flat angles P-C4'-P energy: -9.874 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: 8, replica: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -130.069764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.069764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.069764 (E_RNA) where: Base-Base interactions energy: -60.059 where: short stacking energy: -54.116 Base-Backbone interact. energy: 1.275 local terms energy: -71.285949 where: bonds (distance) C4'-P energy: -15.271 bonds (distance) P-C4' energy: -18.655 flat angles C4'-P-C4' energy: -13.937 flat angles P-C4'-P energy: -14.643 tors. eta vs tors. theta energy: -8.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -116.374193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.374193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.374193 (E_RNA) where: Base-Base interactions energy: -60.665 where: short stacking energy: -59.759 Base-Backbone interact. energy: -0.077 local terms energy: -55.631485 where: bonds (distance) C4'-P energy: -13.053 bonds (distance) P-C4' energy: -16.871 flat angles C4'-P-C4' energy: -15.067 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -5.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -114.332553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.332553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.332553 (E_RNA) where: Base-Base interactions energy: -53.721 where: short stacking energy: -52.154 Base-Backbone interact. energy: -0.245 local terms energy: -60.366801 where: bonds (distance) C4'-P energy: -18.759 bonds (distance) P-C4' energy: -21.013 flat angles C4'-P-C4' energy: -9.413 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -5.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -182.766755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.766755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.766755 (E_RNA) where: Base-Base interactions energy: -86.897 where: short stacking energy: -86.897 Base-Backbone interact. energy: -0.265 local terms energy: -95.604188 where: bonds (distance) C4'-P energy: -20.662 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -24.562 flat angles P-C4'-P energy: -15.042 tors. eta vs tors. theta energy: -17.445 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: 8 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -205.979124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.979124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.979124 (E_RNA) where: Base-Base interactions energy: -112.307 where: short stacking energy: -112.307 Base-Backbone interact. energy: -0.071 local terms energy: -93.600864 where: bonds (distance) C4'-P energy: -16.322 bonds (distance) P-C4' energy: -18.722 flat angles C4'-P-C4' energy: -20.763 flat angles P-C4'-P energy: -14.564 tors. eta vs tors. theta energy: -23.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -207.877390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.877390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.877390 (E_RNA) where: Base-Base interactions energy: -107.675 where: short stacking energy: -107.675 Base-Backbone interact. energy: -0.000 local terms energy: -100.201839 where: bonds (distance) C4'-P energy: -20.236 bonds (distance) P-C4' energy: -20.055 flat angles C4'-P-C4' energy: -20.074 flat angles P-C4'-P energy: -14.737 tors. eta vs tors. theta energy: -25.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -180.100919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.100919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.100919 (E_RNA) where: Base-Base interactions energy: -94.685 where: short stacking energy: -93.963 Base-Backbone interact. energy: -1.405 local terms energy: -84.010498 where: bonds (distance) C4'-P energy: -18.187 bonds (distance) P-C4' energy: -16.088 flat angles C4'-P-C4' energy: -18.447 flat angles P-C4'-P energy: -12.074 tors. eta vs tors. theta energy: -19.215 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: 7 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -156.230751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.230751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.230751 (E_RNA) where: Base-Base interactions energy: -78.533 where: short stacking energy: -78.533 Base-Backbone interact. energy: -0.002 local terms energy: -77.696092 where: bonds (distance) C4'-P energy: -15.794 bonds (distance) P-C4' energy: -18.931 flat angles C4'-P-C4' energy: -19.351 flat angles P-C4'-P energy: -6.976 tors. eta vs tors. theta energy: -16.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -163.914376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.914376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.914376 (E_RNA) where: Base-Base interactions energy: -86.434 where: short stacking energy: -86.434 Base-Backbone interact. energy: -0.001 local terms energy: -77.478982 where: bonds (distance) C4'-P energy: -8.467 bonds (distance) P-C4' energy: -15.005 flat angles C4'-P-C4' energy: -21.948 flat angles P-C4'-P energy: -13.817 tors. eta vs tors. theta energy: -18.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -127.546295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.546295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.546295 (E_RNA) where: Base-Base interactions energy: -58.114 where: short stacking energy: -56.121 Base-Backbone interact. energy: -0.225 local terms energy: -69.207637 where: bonds (distance) C4'-P energy: -19.581 bonds (distance) P-C4' energy: -16.501 flat angles C4'-P-C4' energy: -14.392 flat angles P-C4'-P energy: -13.108 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: 8, replica: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -136.512527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.512527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.512527 (E_RNA) where: Base-Base interactions energy: -78.791 where: short stacking energy: -78.791 Base-Backbone interact. energy: 1.076 local terms energy: -58.798057 where: bonds (distance) C4'-P energy: -14.353 bonds (distance) P-C4' energy: -14.759 flat angles C4'-P-C4' energy: -16.827 flat angles P-C4'-P energy: -2.110 tors. eta vs tors. theta energy: -10.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -124.143534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.143534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.143534 (E_RNA) where: Base-Base interactions energy: -56.531 where: short stacking energy: -56.531 Base-Backbone interact. energy: -0.052 local terms energy: -67.561127 where: bonds (distance) C4'-P energy: -15.975 bonds (distance) P-C4' energy: -18.982 flat angles C4'-P-C4' energy: -14.713 flat angles P-C4'-P energy: -14.067 tors. eta vs tors. theta energy: -3.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -110.830779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.830779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.830779 (E_RNA) where: Base-Base interactions energy: -60.854 where: short stacking energy: -60.854 Base-Backbone interact. energy: -0.102 local terms energy: -49.874433 where: bonds (distance) C4'-P energy: -4.526 bonds (distance) P-C4' energy: -16.154 flat angles C4'-P-C4' energy: -13.010 flat angles P-C4'-P energy: -8.031 tors. eta vs tors. theta energy: -8.154 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: 8 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -221.762290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.762290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.762290 (E_RNA) where: Base-Base interactions energy: -117.020 where: short stacking energy: -117.020 Base-Backbone interact. energy: -0.000 local terms energy: -104.742365 where: bonds (distance) C4'-P energy: -21.547 bonds (distance) P-C4' energy: -20.036 flat angles C4'-P-C4' energy: -20.654 flat angles P-C4'-P energy: -12.414 tors. eta vs tors. theta energy: -30.092 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: 6 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -196.898645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.898645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.898645 (E_RNA) where: Base-Base interactions energy: -102.098 where: short stacking energy: -102.098 Base-Backbone interact. energy: -0.379 local terms energy: -94.422348 where: bonds (distance) C4'-P energy: -18.270 bonds (distance) P-C4' energy: -16.892 flat angles C4'-P-C4' energy: -20.660 flat angles P-C4'-P energy: -16.796 tors. eta vs tors. theta energy: -21.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -196.960171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.960171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.960171 (E_RNA) where: Base-Base interactions energy: -104.502 where: short stacking energy: -104.502 Base-Backbone interact. energy: 1.285 local terms energy: -93.742682 where: bonds (distance) C4'-P energy: -19.892 bonds (distance) P-C4' energy: -17.533 flat angles C4'-P-C4' energy: -19.835 flat angles P-C4'-P energy: -12.768 tors. eta vs tors. theta energy: -23.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -167.104531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.104531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.104531 (E_RNA) where: Base-Base interactions energy: -81.586 where: short stacking energy: -81.586 Base-Backbone interact. energy: -0.323 local terms energy: -85.195460 where: bonds (distance) C4'-P energy: -17.138 bonds (distance) P-C4' energy: -20.007 flat angles C4'-P-C4' energy: -19.390 flat angles P-C4'-P energy: -10.217 tors. eta vs tors. theta energy: -18.443 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: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -175.568718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.568718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.568718 (E_RNA) where: Base-Base interactions energy: -95.099 where: short stacking energy: -95.099 Base-Backbone interact. energy: -0.005 local terms energy: -80.464565 where: bonds (distance) C4'-P energy: -15.839 bonds (distance) P-C4' energy: -18.671 flat angles C4'-P-C4' energy: -16.464 flat angles P-C4'-P energy: -13.193 tors. eta vs tors. theta energy: -16.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -143.898236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.898236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.898236 (E_RNA) where: Base-Base interactions energy: -73.788 where: short stacking energy: -72.830 Base-Backbone interact. energy: -0.827 local terms energy: -69.282678 where: bonds (distance) C4'-P energy: -14.297 bonds (distance) P-C4' energy: -17.013 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -14.789 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: 7, replica: 5 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -138.149892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.149892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.149892 (E_RNA) where: Base-Base interactions energy: -67.841 where: short stacking energy: -65.157 Base-Backbone interact. energy: -0.022 local terms energy: -70.287090 where: bonds (distance) C4'-P energy: -11.235 bonds (distance) P-C4' energy: -18.250 flat angles C4'-P-C4' energy: -18.320 flat angles P-C4'-P energy: -10.693 tors. eta vs tors. theta energy: -11.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -131.359840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.359840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.359840 (E_RNA) where: Base-Base interactions energy: -57.145 where: short stacking energy: -56.686 Base-Backbone interact. energy: -0.050 local terms energy: -74.165347 where: bonds (distance) C4'-P energy: -16.290 bonds (distance) P-C4' energy: -16.688 flat angles C4'-P-C4' energy: -16.904 flat angles P-C4'-P energy: -12.554 tors. eta vs tors. theta energy: -11.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -140.806670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.806670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.806670 (E_RNA) where: Base-Base interactions energy: -70.158 where: short stacking energy: -70.195 Base-Backbone interact. energy: -0.160 local terms energy: -70.489196 where: bonds (distance) C4'-P energy: -18.197 bonds (distance) P-C4' energy: -16.346 flat angles C4'-P-C4' energy: -15.468 flat angles P-C4'-P energy: -6.935 tors. eta vs tors. theta energy: -13.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -123.425266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.425266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.425266 (E_RNA) where: Base-Base interactions energy: -58.911 where: short stacking energy: -58.911 Base-Backbone interact. energy: -0.482 local terms energy: -64.032141 where: bonds (distance) C4'-P energy: -10.171 bonds (distance) P-C4' energy: -15.416 flat angles C4'-P-C4' energy: -18.352 flat angles P-C4'-P energy: -8.526 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: 1, replica: 8 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -220.864760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.864760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.864760 (E_RNA) where: Base-Base interactions energy: -121.549 where: short stacking energy: -121.549 Base-Backbone interact. energy: -0.006 local terms energy: -99.309431 where: bonds (distance) C4'-P energy: -19.225 bonds (distance) P-C4' energy: -19.859 flat angles C4'-P-C4' energy: -20.447 flat angles P-C4'-P energy: -10.484 tors. eta vs tors. theta energy: -29.295 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: 1 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -204.900365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.900365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.900365 (E_RNA) where: Base-Base interactions energy: -112.742 where: short stacking energy: -112.742 Base-Backbone interact. energy: -0.000 local terms energy: -92.157522 where: bonds (distance) C4'-P energy: -18.397 bonds (distance) P-C4' energy: -18.995 flat angles C4'-P-C4' energy: -20.749 flat angles P-C4'-P energy: -10.004 tors. eta vs tors. theta energy: -24.013 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: 6 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -190.607700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.607700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.607700 (E_RNA) where: Base-Base interactions energy: -93.020 where: short stacking energy: -93.020 Base-Backbone interact. energy: -0.003 local terms energy: -97.584739 where: bonds (distance) C4'-P energy: -20.261 bonds (distance) P-C4' energy: -18.200 flat angles C4'-P-C4' energy: -22.140 flat angles P-C4'-P energy: -12.830 tors. eta vs tors. theta energy: -24.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -160.693785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.693785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.693785 (E_RNA) where: Base-Base interactions energy: -81.817 where: short stacking energy: -81.817 Base-Backbone interact. energy: -0.047 local terms energy: -78.829723 where: bonds (distance) C4'-P energy: -14.680 bonds (distance) P-C4' energy: -19.819 flat angles C4'-P-C4' energy: -19.516 flat angles P-C4'-P energy: -12.149 tors. eta vs tors. theta energy: -12.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -155.836785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.836785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.836785 (E_RNA) where: Base-Base interactions energy: -78.617 where: short stacking energy: -78.604 Base-Backbone interact. energy: -0.102 local terms energy: -77.117472 where: bonds (distance) C4'-P energy: -16.275 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -19.601 flat angles P-C4'-P energy: -14.759 tors. eta vs tors. theta energy: -13.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -144.100476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.100476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.100476 (E_RNA) where: Base-Base interactions energy: -76.170 where: short stacking energy: -76.570 Base-Backbone interact. energy: -0.851 local terms energy: -67.079405 where: bonds (distance) C4'-P energy: -16.572 bonds (distance) P-C4' energy: -13.581 flat angles C4'-P-C4' energy: -15.045 flat angles P-C4'-P energy: -9.030 tors. eta vs tors. theta energy: -12.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -117.754847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.754847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.754847 (E_RNA) where: Base-Base interactions energy: -55.859 where: short stacking energy: -55.247 Base-Backbone interact. energy: -0.076 local terms energy: -61.820170 where: bonds (distance) C4'-P energy: -12.896 bonds (distance) P-C4' energy: -15.946 flat angles C4'-P-C4' energy: -17.988 flat angles P-C4'-P energy: -10.427 tors. eta vs tors. theta energy: -4.564 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: 95 Temperature: 1.250000 Total energy: -128.822936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.822936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.822936 (E_RNA) where: Base-Base interactions energy: -62.917 where: short stacking energy: -62.917 Base-Backbone interact. energy: 1.782 local terms energy: -67.688627 where: bonds (distance) C4'-P energy: -14.096 bonds (distance) P-C4' energy: -19.285 flat angles C4'-P-C4' energy: -14.281 flat angles P-C4'-P energy: -12.314 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: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -133.108724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.108724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.108724 (E_RNA) where: Base-Base interactions energy: -59.685 where: short stacking energy: -59.685 Base-Backbone interact. energy: -1.061 local terms energy: -72.362498 where: bonds (distance) C4'-P energy: -13.781 bonds (distance) P-C4' energy: -19.851 flat angles C4'-P-C4' energy: -17.936 flat angles P-C4'-P energy: -8.138 tors. eta vs tors. theta energy: -12.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -117.982455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.982455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.982455 (E_RNA) where: Base-Base interactions energy: -60.468 where: short stacking energy: -60.468 Base-Backbone interact. energy: -0.814 local terms energy: -56.700816 where: bonds (distance) C4'-P energy: -13.066 bonds (distance) P-C4' energy: -15.510 flat angles C4'-P-C4' energy: -13.981 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: -9.538 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: 1, replica: 1 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -217.311829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.311829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.311829 (E_RNA) where: Base-Base interactions energy: -117.244 where: short stacking energy: -117.244 Base-Backbone interact. energy: -0.170 local terms energy: -99.898034 where: bonds (distance) C4'-P energy: -16.688 bonds (distance) P-C4' energy: -21.634 flat angles C4'-P-C4' energy: -21.175 flat angles P-C4'-P energy: -13.473 tors. eta vs tors. theta energy: -26.927 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: 2, replica: 8 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -222.322107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.322107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.322107 (E_RNA) where: Base-Base interactions energy: -125.780 where: short stacking energy: -125.780 Base-Backbone interact. energy: -0.000 local terms energy: -96.542087 where: bonds (distance) C4'-P energy: -17.080 bonds (distance) P-C4' energy: -17.863 flat angles C4'-P-C4' energy: -20.022 flat angles P-C4'-P energy: -13.148 tors. eta vs tors. theta energy: -28.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -205.975021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.975021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.975021 (E_RNA) where: Base-Base interactions energy: -114.375 where: short stacking energy: -114.375 Base-Backbone interact. energy: -0.005 local terms energy: -91.594562 where: bonds (distance) C4'-P energy: -15.015 bonds (distance) P-C4' energy: -18.191 flat angles C4'-P-C4' energy: -18.145 flat angles P-C4'-P energy: -15.940 tors. eta vs tors. theta energy: -24.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -173.493999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.493999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.493999 (E_RNA) where: Base-Base interactions energy: -95.413 where: short stacking energy: -95.157 Base-Backbone interact. energy: -0.092 local terms energy: -77.988919 where: bonds (distance) C4'-P energy: -21.098 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -14.333 flat angles P-C4'-P energy: -9.397 tors. eta vs tors. theta energy: -18.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -167.659898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.659898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.659898 (E_RNA) where: Base-Base interactions energy: -78.268 where: short stacking energy: -78.268 Base-Backbone interact. energy: -0.155 local terms energy: -89.237111 where: bonds (distance) C4'-P energy: -14.743 bonds (distance) P-C4' energy: -20.259 flat angles C4'-P-C4' energy: -20.078 flat angles P-C4'-P energy: -14.392 tors. eta vs tors. theta energy: -19.765 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: 7 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -160.732675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.732675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.732675 (E_RNA) where: Base-Base interactions energy: -73.526 where: short stacking energy: -73.526 Base-Backbone interact. energy: -1.076 local terms energy: -86.130862 where: bonds (distance) C4'-P energy: -19.879 bonds (distance) P-C4' energy: -19.723 flat angles C4'-P-C4' energy: -18.038 flat angles P-C4'-P energy: -11.529 tors. eta vs tors. theta energy: -16.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -129.096139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.096139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.096139 (E_RNA) where: Base-Base interactions energy: -58.657 where: short stacking energy: -58.657 Base-Backbone interact. energy: -0.340 local terms energy: -70.099356 where: bonds (distance) C4'-P energy: -16.357 bonds (distance) P-C4' energy: -19.915 flat angles C4'-P-C4' energy: -13.269 flat angles P-C4'-P energy: -14.312 tors. eta vs tors. theta energy: -6.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -139.008132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.008132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.008132 (E_RNA) where: Base-Base interactions energy: -64.792 where: short stacking energy: -64.792 Base-Backbone interact. energy: -0.240 local terms energy: -73.976536 where: bonds (distance) C4'-P energy: -12.416 bonds (distance) P-C4' energy: -21.669 flat angles C4'-P-C4' energy: -14.941 flat angles P-C4'-P energy: -12.271 tors. eta vs tors. theta energy: -12.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -131.233832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.233832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.233832 (E_RNA) where: Base-Base interactions energy: -67.968 where: short stacking energy: -68.581 Base-Backbone interact. energy: 0.167 local terms energy: -63.432338 where: bonds (distance) C4'-P energy: -10.155 bonds (distance) P-C4' energy: -13.671 flat angles C4'-P-C4' energy: -15.271 flat angles P-C4'-P energy: -12.797 tors. eta vs tors. theta energy: -11.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -119.700195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.700195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.700195 (E_RNA) where: Base-Base interactions energy: -58.160 where: short stacking energy: -54.471 Base-Backbone interact. energy: -0.301 local terms energy: -61.238620 where: bonds (distance) C4'-P energy: -12.184 bonds (distance) P-C4' energy: -16.844 flat angles C4'-P-C4' energy: -14.259 flat angles P-C4'-P energy: -12.729 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: 1 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -202.547404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.547404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.547404 (E_RNA) where: Base-Base interactions energy: -105.963 where: short stacking energy: -105.963 Base-Backbone interact. energy: -0.001 local terms energy: -96.583232 where: bonds (distance) C4'-P energy: -20.592 bonds (distance) P-C4' energy: -17.627 flat angles C4'-P-C4' energy: -22.142 flat angles P-C4'-P energy: -14.808 tors. eta vs tors. theta energy: -21.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -209.837106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.837106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.837106 (E_RNA) where: Base-Base interactions energy: -107.155 where: short stacking energy: -107.155 Base-Backbone interact. energy: -0.000 local terms energy: -102.682123 where: bonds (distance) C4'-P energy: -16.456 bonds (distance) P-C4' energy: -21.623 flat angles C4'-P-C4' energy: -20.084 flat angles P-C4'-P energy: -14.621 tors. eta vs tors. theta energy: -29.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -196.379973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.379973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.379973 (E_RNA) where: Base-Base interactions energy: -104.944 where: short stacking energy: -104.944 Base-Backbone interact. energy: -0.010 local terms energy: -91.426017 where: bonds (distance) C4'-P energy: -17.820 bonds (distance) P-C4' energy: -16.940 flat angles C4'-P-C4' energy: -19.218 flat angles P-C4'-P energy: -13.958 tors. eta vs tors. theta energy: -23.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -166.029514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.029514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.029514 (E_RNA) where: Base-Base interactions energy: -75.943 where: short stacking energy: -75.824 Base-Backbone interact. energy: 1.178 local terms energy: -91.264660 where: bonds (distance) C4'-P energy: -17.190 bonds (distance) P-C4' energy: -18.646 flat angles C4'-P-C4' energy: -21.327 flat angles P-C4'-P energy: -13.060 tors. eta vs tors. theta energy: -21.042 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: 6 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -148.906936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.906936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.906936 (E_RNA) where: Base-Base interactions energy: -81.386 where: short stacking energy: -79.460 Base-Backbone interact. energy: -0.333 local terms energy: -67.187592 where: bonds (distance) C4'-P energy: -10.843 bonds (distance) P-C4' energy: -16.731 flat angles C4'-P-C4' energy: -16.310 flat angles P-C4'-P energy: -11.728 tors. eta vs tors. theta energy: -11.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -143.391975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.391975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.391975 (E_RNA) where: Base-Base interactions energy: -70.095 where: short stacking energy: -69.188 Base-Backbone interact. energy: 2.941 local terms energy: -76.237792 where: bonds (distance) C4'-P energy: -15.509 bonds (distance) P-C4' energy: -16.820 flat angles C4'-P-C4' energy: -15.170 flat angles P-C4'-P energy: -17.779 tors. eta vs tors. theta energy: -10.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -123.216196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.216196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.216196 (E_RNA) where: Base-Base interactions energy: -59.992 where: short stacking energy: -59.992 Base-Backbone interact. energy: -0.081 local terms energy: -63.143367 where: bonds (distance) C4'-P energy: -13.666 bonds (distance) P-C4' energy: -16.329 flat angles C4'-P-C4' energy: -18.809 flat angles P-C4'-P energy: -9.304 tors. eta vs tors. theta energy: -5.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -136.622483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.622483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.622483 (E_RNA) where: Base-Base interactions energy: -61.103 where: short stacking energy: -60.639 Base-Backbone interact. energy: 0.019 local terms energy: -75.538334 where: bonds (distance) C4'-P energy: -18.386 bonds (distance) P-C4' energy: -19.206 flat angles C4'-P-C4' energy: -16.994 flat angles P-C4'-P energy: -8.305 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: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -115.453683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.453683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.453683 (E_RNA) where: Base-Base interactions energy: -50.259 where: short stacking energy: -46.602 Base-Backbone interact. energy: -0.400 local terms energy: -64.794823 where: bonds (distance) C4'-P energy: -10.996 bonds (distance) P-C4' energy: -19.701 flat angles C4'-P-C4' energy: -17.713 flat angles P-C4'-P energy: -11.090 tors. eta vs tors. theta energy: -5.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -112.465537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.465537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.465537 (E_RNA) where: Base-Base interactions energy: -49.245 where: short stacking energy: -47.662 Base-Backbone interact. energy: -0.050 local terms energy: -63.169930 where: bonds (distance) C4'-P energy: -12.957 bonds (distance) P-C4' energy: -17.787 flat angles C4'-P-C4' energy: -16.271 flat angles P-C4'-P energy: -10.033 tors. eta vs tors. theta energy: -6.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -217.794126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.794126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.794126 (E_RNA) where: Base-Base interactions energy: -118.133 where: short stacking energy: -118.133 Base-Backbone interact. energy: -0.024 local terms energy: -99.636443 where: bonds (distance) C4'-P energy: -17.781 bonds (distance) P-C4' energy: -19.264 flat angles C4'-P-C4' energy: -21.121 flat angles P-C4'-P energy: -13.112 tors. eta vs tors. theta energy: -28.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -184.596417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.596417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.596417 (E_RNA) where: Base-Base interactions energy: -94.684 where: short stacking energy: -94.684 Base-Backbone interact. energy: -0.015 local terms energy: -89.897448 where: bonds (distance) C4'-P energy: -15.753 bonds (distance) P-C4' energy: -17.910 flat angles C4'-P-C4' energy: -22.358 flat angles P-C4'-P energy: -14.377 tors. eta vs tors. theta energy: -19.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -193.358917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.358917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.358917 (E_RNA) where: Base-Base interactions energy: -105.689 where: short stacking energy: -105.429 Base-Backbone interact. energy: -0.002 local terms energy: -87.667437 where: bonds (distance) C4'-P energy: -17.722 bonds (distance) P-C4' energy: -18.844 flat angles C4'-P-C4' energy: -17.960 flat angles P-C4'-P energy: -8.412 tors. eta vs tors. theta energy: -24.729 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: 8 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -183.148154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.148154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.148154 (E_RNA) where: Base-Base interactions energy: -95.934 where: short stacking energy: -95.934 Base-Backbone interact. energy: -0.021 local terms energy: -87.193018 where: bonds (distance) C4'-P energy: -17.094 bonds (distance) P-C4' energy: -17.692 flat angles C4'-P-C4' energy: -19.877 flat angles P-C4'-P energy: -11.717 tors. eta vs tors. theta energy: -20.813 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: 7 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -163.337882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.337882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.337882 (E_RNA) where: Base-Base interactions energy: -82.478 where: short stacking energy: -82.478 Base-Backbone interact. energy: -0.062 local terms energy: -80.798095 where: bonds (distance) C4'-P energy: -16.067 bonds (distance) P-C4' energy: -21.328 flat angles C4'-P-C4' energy: -18.951 flat angles P-C4'-P energy: -11.113 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: 6, replica: 6 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -162.099077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.099077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.099077 (E_RNA) where: Base-Base interactions energy: -79.162 where: short stacking energy: -76.957 Base-Backbone interact. energy: -0.125 local terms energy: -82.812145 where: bonds (distance) C4'-P energy: -19.037 bonds (distance) P-C4' energy: -18.461 flat angles C4'-P-C4' energy: -18.286 flat angles P-C4'-P energy: -14.625 tors. eta vs tors. theta energy: -12.404 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: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -159.610898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.610898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.610898 (E_RNA) where: Base-Base interactions energy: -88.829 where: short stacking energy: -88.829 Base-Backbone interact. energy: -0.011 local terms energy: -70.770341 where: bonds (distance) C4'-P energy: -15.236 bonds (distance) P-C4' energy: -14.764 flat angles C4'-P-C4' energy: -16.288 flat angles P-C4'-P energy: -8.572 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: 8, replica: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -131.486346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.486346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.486346 (E_RNA) where: Base-Base interactions energy: -68.101 where: short stacking energy: -68.101 Base-Backbone interact. energy: 0.297 local terms energy: -63.683064 where: bonds (distance) C4'-P energy: -17.367 bonds (distance) P-C4' energy: -11.179 flat angles C4'-P-C4' energy: -14.038 flat angles P-C4'-P energy: -9.432 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: 9, replica: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -146.942309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.942309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.942309 (E_RNA) where: Base-Base interactions energy: -77.538 where: short stacking energy: -77.538 Base-Backbone interact. energy: -0.036 local terms energy: -69.368156 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -16.966 flat angles C4'-P-C4' energy: -14.902 flat angles P-C4'-P energy: -10.965 tors. eta vs tors. theta energy: -14.383 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: 10 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -117.328245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.328245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.328245 (E_RNA) where: Base-Base interactions energy: -50.223 where: short stacking energy: -50.223 Base-Backbone interact. energy: 0.272 local terms energy: -67.378019 where: bonds (distance) C4'-P energy: -16.041 bonds (distance) P-C4' energy: -17.427 flat angles C4'-P-C4' energy: -16.483 flat angles P-C4'-P energy: -13.679 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: 1, replica: 2 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -205.814903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.814903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.814903 (E_RNA) where: Base-Base interactions energy: -113.146 where: short stacking energy: -113.146 Base-Backbone interact. energy: -0.024 local terms energy: -92.644909 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -20.023 flat angles C4'-P-C4' energy: -19.057 flat angles P-C4'-P energy: -12.263 tors. eta vs tors. theta energy: -22.842 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: 3 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -200.919908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.919908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.919908 (E_RNA) where: Base-Base interactions energy: -108.083 where: short stacking energy: -108.083 Base-Backbone interact. energy: -0.000 local terms energy: -92.837192 where: bonds (distance) C4'-P energy: -16.754 bonds (distance) P-C4' energy: -18.901 flat angles C4'-P-C4' energy: -18.850 flat angles P-C4'-P energy: -14.419 tors. eta vs tors. theta energy: -23.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -180.731102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.731102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.731102 (E_RNA) where: Base-Base interactions energy: -92.064 where: short stacking energy: -92.064 Base-Backbone interact. energy: -0.218 local terms energy: -88.448654 where: bonds (distance) C4'-P energy: -16.071 bonds (distance) P-C4' energy: -20.127 flat angles C4'-P-C4' energy: -17.573 flat angles P-C4'-P energy: -13.873 tors. eta vs tors. theta energy: -20.805 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: 8 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -199.411474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.411474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.411474 (E_RNA) where: Base-Base interactions energy: -105.103 where: short stacking energy: -104.774 Base-Backbone interact. energy: -0.094 local terms energy: -94.214939 where: bonds (distance) C4'-P energy: -15.894 bonds (distance) P-C4' energy: -19.495 flat angles C4'-P-C4' energy: -22.117 flat angles P-C4'-P energy: -12.374 tors. eta vs tors. theta energy: -24.335 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: 7 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -155.267223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.267223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.267223 (E_RNA) where: Base-Base interactions energy: -74.692 where: short stacking energy: -74.454 Base-Backbone interact. energy: -0.009 local terms energy: -80.566794 where: bonds (distance) C4'-P energy: -18.877 bonds (distance) P-C4' energy: -17.895 flat angles C4'-P-C4' energy: -15.893 flat angles P-C4'-P energy: -16.617 tors. eta vs tors. theta energy: -11.285 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: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -141.697530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.697530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.697530 (E_RNA) where: Base-Base interactions energy: -74.033 where: short stacking energy: -72.316 Base-Backbone interact. energy: -0.473 local terms energy: -67.192193 where: bonds (distance) C4'-P energy: -16.311 bonds (distance) P-C4' energy: -14.416 flat angles C4'-P-C4' energy: -16.065 flat angles P-C4'-P energy: -7.159 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: 7, replica: 6 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -138.484754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.484754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.484754 (E_RNA) where: Base-Base interactions energy: -65.339 where: short stacking energy: -65.339 Base-Backbone interact. energy: -1.360 local terms energy: -71.785868 where: bonds (distance) C4'-P energy: -18.146 bonds (distance) P-C4' energy: -15.379 flat angles C4'-P-C4' energy: -16.400 flat angles P-C4'-P energy: -13.807 tors. eta vs tors. theta energy: -8.054 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: 9 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -122.178451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.178451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.178451 (E_RNA) where: Base-Base interactions energy: -57.558 where: short stacking energy: -57.558 Base-Backbone interact. energy: 0.167 local terms energy: -64.787524 where: bonds (distance) C4'-P energy: -19.117 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -14.217 flat angles P-C4'-P energy: -7.897 tors. eta vs tors. theta energy: -6.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -125.601024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.601024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.601024 (E_RNA) where: Base-Base interactions energy: -51.619 where: short stacking energy: -53.027 Base-Backbone interact. energy: -0.173 local terms energy: -73.809640 where: bonds (distance) C4'-P energy: -19.217 bonds (distance) P-C4' energy: -16.797 flat angles C4'-P-C4' energy: -13.795 flat angles P-C4'-P energy: -13.974 tors. eta vs tors. theta energy: -10.027 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: 10 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -117.283991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.283991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.283991 (E_RNA) where: Base-Base interactions energy: -51.795 where: short stacking energy: -51.795 Base-Backbone interact. energy: 0.958 local terms energy: -66.447208 where: bonds (distance) C4'-P energy: -16.403 bonds (distance) P-C4' energy: -12.586 flat angles C4'-P-C4' energy: -15.059 flat angles P-C4'-P energy: -13.196 tors. eta vs tors. theta energy: -9.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -219.739024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.739024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.739024 (E_RNA) where: Base-Base interactions energy: -128.636 where: short stacking energy: -128.636 Base-Backbone interact. energy: -0.027 local terms energy: -91.075898 where: bonds (distance) C4'-P energy: -16.440 bonds (distance) P-C4' energy: -17.717 flat angles C4'-P-C4' energy: -18.218 flat angles P-C4'-P energy: -13.177 tors. eta vs tors. theta energy: -25.524 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: 2, replica: 3 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -207.613383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.613383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.613383 (E_RNA) where: Base-Base interactions energy: -114.039 where: short stacking energy: -114.039 Base-Backbone interact. energy: -0.009 local terms energy: -93.565277 where: bonds (distance) C4'-P energy: -18.815 bonds (distance) P-C4' energy: -19.478 flat angles C4'-P-C4' energy: -21.194 flat angles P-C4'-P energy: -9.245 tors. eta vs tors. theta energy: -24.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -192.555219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.555219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.555219 (E_RNA) where: Base-Base interactions energy: -100.475 where: short stacking energy: -100.475 Base-Backbone interact. energy: -0.002 local terms energy: -92.078369 where: bonds (distance) C4'-P energy: -16.302 bonds (distance) P-C4' energy: -20.771 flat angles C4'-P-C4' energy: -18.056 flat angles P-C4'-P energy: -14.297 tors. eta vs tors. theta energy: -22.652 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: 8 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -193.828422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.828422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.828422 (E_RNA) where: Base-Base interactions energy: -100.082 where: short stacking energy: -99.892 Base-Backbone interact. energy: -0.598 local terms energy: -93.148318 where: bonds (distance) C4'-P energy: -16.687 bonds (distance) P-C4' energy: -19.743 flat angles C4'-P-C4' energy: -18.334 flat angles P-C4'-P energy: -12.990 tors. eta vs tors. theta energy: -25.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -164.166037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.166037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.166037 (E_RNA) where: Base-Base interactions energy: -86.089 where: short stacking energy: -85.868 Base-Backbone interact. energy: -0.180 local terms energy: -77.896609 where: bonds (distance) C4'-P energy: -15.736 bonds (distance) P-C4' energy: -18.710 flat angles C4'-P-C4' energy: -18.897 flat angles P-C4'-P energy: -9.366 tors. eta vs tors. theta energy: -15.187 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: 6, replica: 4 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -161.515208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.515208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.515208 (E_RNA) where: Base-Base interactions energy: -82.117 where: short stacking energy: -82.117 Base-Backbone interact. energy: 0.734 local terms energy: -80.132342 where: bonds (distance) C4'-P energy: -16.473 bonds (distance) P-C4' energy: -19.638 flat angles C4'-P-C4' energy: -18.124 flat angles P-C4'-P energy: -12.546 tors. eta vs tors. theta energy: -13.351 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: 9 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -128.939304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.939304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.939304 (E_RNA) where: Base-Base interactions energy: -56.975 where: short stacking energy: -57.114 Base-Backbone interact. energy: -0.805 local terms energy: -71.159720 where: bonds (distance) C4'-P energy: -18.521 bonds (distance) P-C4' energy: -17.826 flat angles C4'-P-C4' energy: -17.716 flat angles P-C4'-P energy: -7.326 tors. eta vs tors. theta energy: -9.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -137.948128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.948128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.948128 (E_RNA) where: Base-Base interactions energy: -64.610 where: short stacking energy: -63.398 Base-Backbone interact. energy: -0.718 local terms energy: -72.620176 where: bonds (distance) C4'-P energy: -15.652 bonds (distance) P-C4' energy: -17.031 flat angles C4'-P-C4' energy: -16.206 flat angles P-C4'-P energy: -11.130 tors. eta vs tors. theta energy: -12.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -136.567214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.567214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.567214 (E_RNA) where: Base-Base interactions energy: -64.518 where: short stacking energy: -63.622 Base-Backbone interact. energy: -0.590 local terms energy: -71.458656 where: bonds (distance) C4'-P energy: -19.933 bonds (distance) P-C4' energy: -20.213 flat angles C4'-P-C4' energy: -14.873 flat angles P-C4'-P energy: -8.420 tors. eta vs tors. theta energy: -8.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -103.845023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.845023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.845023 (E_RNA) where: Base-Base interactions energy: -47.660 where: short stacking energy: -47.660 Base-Backbone interact. energy: 0.067 local terms energy: -56.251692 where: bonds (distance) C4'-P energy: -14.045 bonds (distance) P-C4' energy: -14.777 flat angles C4'-P-C4' energy: -14.079 flat angles P-C4'-P energy: -12.495 tors. eta vs tors. theta energy: -0.855 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: 101 Temperature: 0.900000 Total energy: -211.050817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.050817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.050817 (E_RNA) where: Base-Base interactions energy: -114.547 where: short stacking energy: -114.547 Base-Backbone interact. energy: -0.001 local terms energy: -96.502865 where: bonds (distance) C4'-P energy: -17.318 bonds (distance) P-C4' energy: -15.816 flat angles C4'-P-C4' energy: -20.490 flat angles P-C4'-P energy: -17.150 tors. eta vs tors. theta energy: -25.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -199.167925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.167925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.167925 (E_RNA) where: Base-Base interactions energy: -103.812 where: short stacking energy: -102.225 Base-Backbone interact. energy: 0.602 local terms energy: -95.957154 where: bonds (distance) C4'-P energy: -20.993 bonds (distance) P-C4' energy: -22.325 flat angles C4'-P-C4' energy: -21.137 flat angles P-C4'-P energy: -13.112 tors. eta vs tors. theta energy: -18.389 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: 1 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -179.684999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.684999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.684999 (E_RNA) where: Base-Base interactions energy: -96.756 where: short stacking energy: -96.756 Base-Backbone interact. energy: -0.072 local terms energy: -82.857313 where: bonds (distance) C4'-P energy: -20.053 bonds (distance) P-C4' energy: -11.493 flat angles C4'-P-C4' energy: -20.772 flat angles P-C4'-P energy: -10.246 tors. eta vs tors. theta energy: -20.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -196.125122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.125122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.125122 (E_RNA) where: Base-Base interactions energy: -103.941 where: short stacking energy: -103.941 Base-Backbone interact. energy: -0.149 local terms energy: -92.034298 where: bonds (distance) C4'-P energy: -16.801 bonds (distance) P-C4' energy: -17.094 flat angles C4'-P-C4' energy: -19.218 flat angles P-C4'-P energy: -15.886 tors. eta vs tors. theta energy: -23.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -167.774809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.774809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.774809 (E_RNA) where: Base-Base interactions energy: -89.375 where: short stacking energy: -89.375 Base-Backbone interact. energy: -0.037 local terms energy: -78.362835 where: bonds (distance) C4'-P energy: -14.850 bonds (distance) P-C4' energy: -16.976 flat angles C4'-P-C4' energy: -18.967 flat angles P-C4'-P energy: -12.561 tors. eta vs tors. theta energy: -15.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -163.867245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.867245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.867245 (E_RNA) where: Base-Base interactions energy: -88.956 where: short stacking energy: -88.956 Base-Backbone interact. energy: -0.073 local terms energy: -74.837735 where: bonds (distance) C4'-P energy: -14.262 bonds (distance) P-C4' energy: -17.792 flat angles C4'-P-C4' energy: -17.599 flat angles P-C4'-P energy: -9.325 tors. eta vs tors. theta energy: -15.860 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: 4 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -151.419253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.419253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.419253 (E_RNA) where: Base-Base interactions energy: -81.150 where: short stacking energy: -81.150 Base-Backbone interact. energy: -0.060 local terms energy: -70.209797 where: bonds (distance) C4'-P energy: -17.465 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -14.066 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: -15.792 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: 8, replica: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -130.244214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.244214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.244214 (E_RNA) where: Base-Base interactions energy: -60.510 where: short stacking energy: -60.510 Base-Backbone interact. energy: -0.009 local terms energy: -69.725749 where: bonds (distance) C4'-P energy: -16.683 bonds (distance) P-C4' energy: -18.790 flat angles C4'-P-C4' energy: -16.847 flat angles P-C4'-P energy: -6.473 tors. eta vs tors. theta energy: -10.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -130.154727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.154727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.154727 (E_RNA) where: Base-Base interactions energy: -67.432 where: short stacking energy: -67.432 Base-Backbone interact. energy: -1.584 local terms energy: -61.139239 where: bonds (distance) C4'-P energy: -14.626 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -15.147 flat angles P-C4'-P energy: -7.155 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: 10, replica: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -98.462131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.462131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.462131 (E_RNA) where: Base-Base interactions energy: -51.710 where: short stacking energy: -51.693 Base-Backbone interact. energy: -0.115 local terms energy: -46.637769 where: bonds (distance) C4'-P energy: -14.577 bonds (distance) P-C4' energy: -9.932 flat angles C4'-P-C4' energy: -12.603 flat angles P-C4'-P energy: -8.775 tors. eta vs tors. theta energy: -0.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -210.843005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.843005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.843005 (E_RNA) where: Base-Base interactions energy: -116.166 where: short stacking energy: -116.166 Base-Backbone interact. energy: 0.165 local terms energy: -94.841974 where: bonds (distance) C4'-P energy: -19.537 bonds (distance) P-C4' energy: -15.117 flat angles C4'-P-C4' energy: -19.451 flat angles P-C4'-P energy: -15.501 tors. eta vs tors. theta energy: -25.237 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: 3 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -211.827661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.827661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.827661 (E_RNA) where: Base-Base interactions energy: -117.986 where: short stacking energy: -117.986 Base-Backbone interact. energy: -0.062 local terms energy: -93.779722 where: bonds (distance) C4'-P energy: -16.659 bonds (distance) P-C4' energy: -21.634 flat angles C4'-P-C4' energy: -19.535 flat angles P-C4'-P energy: -10.905 tors. eta vs tors. theta energy: -25.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -190.098062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.098062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.098062 (E_RNA) where: Base-Base interactions energy: -102.498 where: short stacking energy: -102.498 Base-Backbone interact. energy: -0.000 local terms energy: -87.599593 where: bonds (distance) C4'-P energy: -18.469 bonds (distance) P-C4' energy: -16.905 flat angles C4'-P-C4' energy: -17.873 flat angles P-C4'-P energy: -11.577 tors. eta vs tors. theta energy: -22.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -162.275648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.275648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.275648 (E_RNA) where: Base-Base interactions energy: -81.474 where: short stacking energy: -81.474 Base-Backbone interact. energy: -0.143 local terms energy: -80.658281 where: bonds (distance) C4'-P energy: -19.171 bonds (distance) P-C4' energy: -17.900 flat angles C4'-P-C4' energy: -19.812 flat angles P-C4'-P energy: -10.251 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: 5, replica: 9 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -167.916110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.916110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.916110 (E_RNA) where: Base-Base interactions energy: -94.346 where: short stacking energy: -90.245 Base-Backbone interact. energy: -0.338 local terms energy: -73.232153 where: bonds (distance) C4'-P energy: -13.662 bonds (distance) P-C4' energy: -13.151 flat angles C4'-P-C4' energy: -15.328 flat angles P-C4'-P energy: -13.441 tors. eta vs tors. theta energy: -17.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -135.520170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.520170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.520170 (E_RNA) where: Base-Base interactions energy: -68.635 where: short stacking energy: -67.963 Base-Backbone interact. energy: -0.037 local terms energy: -66.848677 where: bonds (distance) C4'-P energy: -13.204 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -17.756 flat angles P-C4'-P energy: -8.582 tors. eta vs tors. theta energy: -11.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -147.693150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.693150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.693150 (E_RNA) where: Base-Base interactions energy: -71.356 where: short stacking energy: -71.356 Base-Backbone interact. energy: -0.136 local terms energy: -76.201306 where: bonds (distance) C4'-P energy: -15.433 bonds (distance) P-C4' energy: -15.213 flat angles C4'-P-C4' energy: -18.681 flat angles P-C4'-P energy: -13.785 tors. eta vs tors. theta energy: -13.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -136.805018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.805018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.805018 (E_RNA) where: Base-Base interactions energy: -70.346 where: short stacking energy: -70.346 Base-Backbone interact. energy: -0.030 local terms energy: -66.429236 where: bonds (distance) C4'-P energy: -20.547 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -12.234 flat angles P-C4'-P energy: -8.880 tors. eta vs tors. theta energy: -11.402 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: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -130.971359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.971359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.971359 (E_RNA) where: Base-Base interactions energy: -63.838 where: short stacking energy: -63.838 Base-Backbone interact. energy: -0.079 local terms energy: -67.053403 where: bonds (distance) C4'-P energy: -18.829 bonds (distance) P-C4' energy: -17.142 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -7.701 tors. eta vs tors. theta energy: -10.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -117.340467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.340467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.340467 (E_RNA) where: Base-Base interactions energy: -53.889 where: short stacking energy: -53.889 Base-Backbone interact. energy: -1.050 local terms energy: -62.401601 where: bonds (distance) C4'-P energy: -13.594 bonds (distance) P-C4' energy: -16.346 flat angles C4'-P-C4' energy: -15.571 flat angles P-C4'-P energy: -12.174 tors. eta vs tors. theta energy: -4.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -216.327309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.327309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.327309 (E_RNA) where: Base-Base interactions energy: -119.563 where: short stacking energy: -119.563 Base-Backbone interact. energy: -0.000 local terms energy: -96.764301 where: bonds (distance) C4'-P energy: -19.335 bonds (distance) P-C4' energy: -16.395 flat angles C4'-P-C4' energy: -19.260 flat angles P-C4'-P energy: -14.225 tors. eta vs tors. theta energy: -27.549 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: 1 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -203.080518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.080518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.080518 (E_RNA) where: Base-Base interactions energy: -113.887 where: short stacking energy: -113.887 Base-Backbone interact. energy: -0.409 local terms energy: -88.784550 where: bonds (distance) C4'-P energy: -12.009 bonds (distance) P-C4' energy: -18.545 flat angles C4'-P-C4' energy: -21.524 flat angles P-C4'-P energy: -13.220 tors. eta vs tors. theta energy: -23.485 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: 3 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -186.033204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.033204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.033204 (E_RNA) where: Base-Base interactions energy: -97.732 where: short stacking energy: -97.732 Base-Backbone interact. energy: -0.004 local terms energy: -88.297524 where: bonds (distance) C4'-P energy: -18.070 bonds (distance) P-C4' energy: -16.996 flat angles C4'-P-C4' energy: -19.678 flat angles P-C4'-P energy: -9.276 tors. eta vs tors. theta energy: -24.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -173.441571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.441571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.441571 (E_RNA) where: Base-Base interactions energy: -90.854 where: short stacking energy: -90.854 Base-Backbone interact. energy: -0.003 local terms energy: -82.584256 where: bonds (distance) C4'-P energy: -16.505 bonds (distance) P-C4' energy: -15.980 flat angles C4'-P-C4' energy: -14.752 flat angles P-C4'-P energy: -14.669 tors. eta vs tors. theta energy: -20.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -157.913229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.913229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.913229 (E_RNA) where: Base-Base interactions energy: -81.724 where: short stacking energy: -81.724 Base-Backbone interact. energy: -0.424 local terms energy: -75.765811 where: bonds (distance) C4'-P energy: -15.906 bonds (distance) P-C4' energy: -19.181 flat angles C4'-P-C4' energy: -15.923 flat angles P-C4'-P energy: -7.716 tors. eta vs tors. theta energy: -17.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -162.891452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.891452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.891452 (E_RNA) where: Base-Base interactions energy: -82.693 where: short stacking energy: -82.693 Base-Backbone interact. energy: -0.092 local terms energy: -80.106036 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -17.572 flat angles C4'-P-C4' energy: -15.993 flat angles P-C4'-P energy: -12.822 tors. eta vs tors. theta energy: -20.419 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: 7 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -144.235704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.235704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.235704 (E_RNA) where: Base-Base interactions energy: -64.721 where: short stacking energy: -64.721 Base-Backbone interact. energy: -0.118 local terms energy: -79.396330 where: bonds (distance) C4'-P energy: -17.422 bonds (distance) P-C4' energy: -19.656 flat angles C4'-P-C4' energy: -19.708 flat angles P-C4'-P energy: -11.244 tors. eta vs tors. theta energy: -11.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -141.348764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.348764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.348764 (E_RNA) where: Base-Base interactions energy: -71.550 where: short stacking energy: -71.550 Base-Backbone interact. energy: -0.201 local terms energy: -69.596908 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -19.603 flat angles C4'-P-C4' energy: -16.726 flat angles P-C4'-P energy: -6.798 tors. eta vs tors. theta energy: -14.931 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: 103 Temperature: 1.300000 Total energy: -131.569207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.569207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.569207 (E_RNA) where: Base-Base interactions energy: -67.437 where: short stacking energy: -67.437 Base-Backbone interact. energy: -0.152 local terms energy: -63.980371 where: bonds (distance) C4'-P energy: -15.277 bonds (distance) P-C4' energy: -20.047 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -11.165 tors. eta vs tors. theta energy: -3.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -136.944425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.944425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.944425 (E_RNA) where: Base-Base interactions energy: -69.401 where: short stacking energy: -68.125 Base-Backbone interact. energy: -0.330 local terms energy: -67.213523 where: bonds (distance) C4'-P energy: -13.752 bonds (distance) P-C4' energy: -15.269 flat angles C4'-P-C4' energy: -13.978 flat angles P-C4'-P energy: -10.979 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: 1, replica: 1 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -220.809365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.809365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.809365 (E_RNA) where: Base-Base interactions energy: -119.327 where: short stacking energy: -119.327 Base-Backbone interact. energy: -0.021 local terms energy: -101.461263 where: bonds (distance) C4'-P energy: -22.317 bonds (distance) P-C4' energy: -19.209 flat angles C4'-P-C4' energy: -21.111 flat angles P-C4'-P energy: -11.406 tors. eta vs tors. theta energy: -27.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -205.902339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.902339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.902339 (E_RNA) where: Base-Base interactions energy: -110.728 where: short stacking energy: -110.728 Base-Backbone interact. energy: -0.015 local terms energy: -95.159507 where: bonds (distance) C4'-P energy: -18.382 bonds (distance) P-C4' energy: -19.102 flat angles C4'-P-C4' energy: -19.905 flat angles P-C4'-P energy: -14.061 tors. eta vs tors. theta energy: -23.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -178.776831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.776831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.776831 (E_RNA) where: Base-Base interactions energy: -94.230 where: short stacking energy: -94.230 Base-Backbone interact. energy: -0.325 local terms energy: -84.221841 where: bonds (distance) C4'-P energy: -19.562 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -15.478 flat angles P-C4'-P energy: -14.681 tors. eta vs tors. theta energy: -18.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -173.414148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.414148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.414148 (E_RNA) where: Base-Base interactions energy: -88.616 where: short stacking energy: -88.616 Base-Backbone interact. energy: -0.260 local terms energy: -84.538731 where: bonds (distance) C4'-P energy: -15.111 bonds (distance) P-C4' energy: -16.525 flat angles C4'-P-C4' energy: -18.351 flat angles P-C4'-P energy: -11.727 tors. eta vs tors. theta energy: -22.825 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: 9 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -167.635976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.635976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.635976 (E_RNA) where: Base-Base interactions energy: -93.821 where: short stacking energy: -93.821 Base-Backbone interact. energy: 0.166 local terms energy: -73.980783 where: bonds (distance) C4'-P energy: -16.047 bonds (distance) P-C4' energy: -15.187 flat angles C4'-P-C4' energy: -20.210 flat angles P-C4'-P energy: -8.259 tors. eta vs tors. theta energy: -14.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -163.143668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.143668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.143668 (E_RNA) where: Base-Base interactions energy: -86.203 where: short stacking energy: -86.203 Base-Backbone interact. energy: -0.101 local terms energy: -76.840230 where: bonds (distance) C4'-P energy: -15.674 bonds (distance) P-C4' energy: -14.151 flat angles C4'-P-C4' energy: -18.290 flat angles P-C4'-P energy: -12.310 tors. eta vs tors. theta energy: -16.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -147.062423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.062423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.062423 (E_RNA) where: Base-Base interactions energy: -78.882 where: short stacking energy: -78.882 Base-Backbone interact. energy: 1.183 local terms energy: -69.362898 where: bonds (distance) C4'-P energy: -16.866 bonds (distance) P-C4' energy: -16.294 flat angles C4'-P-C4' energy: -12.481 flat angles P-C4'-P energy: -7.049 tors. eta vs tors. theta energy: -16.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -129.871856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.871856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.871856 (E_RNA) where: Base-Base interactions energy: -60.042 where: short stacking energy: -60.042 Base-Backbone interact. energy: -0.151 local terms energy: -69.679010 where: bonds (distance) C4'-P energy: -15.032 bonds (distance) P-C4' energy: -16.352 flat angles C4'-P-C4' energy: -19.685 flat angles P-C4'-P energy: -8.278 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: 9, replica: 5 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -133.665874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.665874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.665874 (E_RNA) where: Base-Base interactions energy: -64.748 where: short stacking energy: -63.263 Base-Backbone interact. energy: -0.265 local terms energy: -68.652667 where: bonds (distance) C4'-P energy: -15.901 bonds (distance) P-C4' energy: -16.001 flat angles C4'-P-C4' energy: -14.151 flat angles P-C4'-P energy: -12.182 tors. eta vs tors. theta energy: -10.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -115.765736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.765736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.765736 (E_RNA) where: Base-Base interactions energy: -61.335 where: short stacking energy: -59.531 Base-Backbone interact. energy: -0.470 local terms energy: -53.960172 where: bonds (distance) C4'-P energy: -11.459 bonds (distance) P-C4' energy: -15.146 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -6.350 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: 1 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -225.930136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.930136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.930136 (E_RNA) where: Base-Base interactions energy: -123.785 where: short stacking energy: -123.785 Base-Backbone interact. energy: -0.005 local terms energy: -102.140663 where: bonds (distance) C4'-P energy: -20.290 bonds (distance) P-C4' energy: -17.912 flat angles C4'-P-C4' energy: -19.243 flat angles P-C4'-P energy: -14.695 tors. eta vs tors. theta energy: -30.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -193.836285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.836285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.836285 (E_RNA) where: Base-Base interactions energy: -99.322 where: short stacking energy: -99.322 Base-Backbone interact. energy: -0.039 local terms energy: -94.475341 where: bonds (distance) C4'-P energy: -18.315 bonds (distance) P-C4' energy: -21.261 flat angles C4'-P-C4' energy: -18.562 flat angles P-C4'-P energy: -14.625 tors. eta vs tors. theta energy: -21.713 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: 105 Temperature: 1.000000 Total energy: -196.811968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.811968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.811968 (E_RNA) where: Base-Base interactions energy: -102.153 where: short stacking energy: -102.153 Base-Backbone interact. energy: -0.001 local terms energy: -94.658042 where: bonds (distance) C4'-P energy: -18.626 bonds (distance) P-C4' energy: -17.021 flat angles C4'-P-C4' energy: -17.345 flat angles P-C4'-P energy: -13.582 tors. eta vs tors. theta energy: -28.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -175.794706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.794706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.794706 (E_RNA) where: Base-Base interactions energy: -85.625 where: short stacking energy: -85.625 Base-Backbone interact. energy: -0.062 local terms energy: -90.108164 where: bonds (distance) C4'-P energy: -18.637 bonds (distance) P-C4' energy: -21.528 flat angles C4'-P-C4' energy: -19.723 flat angles P-C4'-P energy: -11.471 tors. eta vs tors. theta energy: -18.750 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: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -177.061125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.061125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.061125 (E_RNA) where: Base-Base interactions energy: -92.460 where: short stacking energy: -92.460 Base-Backbone interact. energy: -0.270 local terms energy: -84.331372 where: bonds (distance) C4'-P energy: -16.844 bonds (distance) P-C4' energy: -15.275 flat angles C4'-P-C4' energy: -20.729 flat angles P-C4'-P energy: -12.287 tors. eta vs tors. theta energy: -19.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -157.038592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.038592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.038592 (E_RNA) where: Base-Base interactions energy: -78.168 where: short stacking energy: -78.036 Base-Backbone interact. energy: -0.061 local terms energy: -78.809527 where: bonds (distance) C4'-P energy: -15.895 bonds (distance) P-C4' energy: -16.921 flat angles C4'-P-C4' energy: -15.711 flat angles P-C4'-P energy: -13.974 tors. eta vs tors. theta energy: -16.309 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: 10 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -137.265383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.265383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.265383 (E_RNA) where: Base-Base interactions energy: -63.243 where: short stacking energy: -63.243 Base-Backbone interact. energy: -0.582 local terms energy: -73.440589 where: bonds (distance) C4'-P energy: -12.763 bonds (distance) P-C4' energy: -18.921 flat angles C4'-P-C4' energy: -18.487 flat angles P-C4'-P energy: -12.742 tors. eta vs tors. theta energy: -10.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -136.647650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.647650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.647650 (E_RNA) where: Base-Base interactions energy: -71.363 where: short stacking energy: -69.458 Base-Backbone interact. energy: -0.967 local terms energy: -64.317254 where: bonds (distance) C4'-P energy: -18.819 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -15.665 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -9.601 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: 7 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -114.327667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.327667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.327667 (E_RNA) where: Base-Base interactions energy: -56.697 where: short stacking energy: -56.697 Base-Backbone interact. energy: -0.066 local terms energy: -57.564457 where: bonds (distance) C4'-P energy: -15.003 bonds (distance) P-C4' energy: -11.476 flat angles C4'-P-C4' energy: -13.703 flat angles P-C4'-P energy: -11.932 tors. eta vs tors. theta energy: -5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -120.845512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.845512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.845512 (E_RNA) where: Base-Base interactions energy: -58.703 where: short stacking energy: -52.469 Base-Backbone interact. energy: 0.090 local terms energy: -62.232904 where: bonds (distance) C4'-P energy: -13.410 bonds (distance) P-C4' energy: -17.841 flat angles C4'-P-C4' energy: -16.142 flat angles P-C4'-P energy: -1.491 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: 1, replica: 2 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -200.596577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.596577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.596577 (E_RNA) where: Base-Base interactions energy: -108.145 where: short stacking energy: -108.145 Base-Backbone interact. energy: -0.174 local terms energy: -92.277155 where: bonds (distance) C4'-P energy: -19.545 bonds (distance) P-C4' energy: -19.213 flat angles C4'-P-C4' energy: -20.244 flat angles P-C4'-P energy: -12.094 tors. eta vs tors. theta energy: -21.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -210.069178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.069178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.069178 (E_RNA) where: Base-Base interactions energy: -116.070 where: short stacking energy: -116.070 Base-Backbone interact. energy: -0.045 local terms energy: -93.954194 where: bonds (distance) C4'-P energy: -15.849 bonds (distance) P-C4' energy: -16.112 flat angles C4'-P-C4' energy: -20.299 flat angles P-C4'-P energy: -14.852 tors. eta vs tors. theta energy: -26.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -195.757195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.757195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.757195 (E_RNA) where: Base-Base interactions energy: -109.896 where: short stacking energy: -108.844 Base-Backbone interact. energy: -0.101 local terms energy: -85.760064 where: bonds (distance) C4'-P energy: -19.565 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -16.248 flat angles P-C4'-P energy: -12.672 tors. eta vs tors. theta energy: -24.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -176.848106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.848106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.848106 (E_RNA) where: Base-Base interactions energy: -91.939 where: short stacking energy: -91.939 Base-Backbone interact. energy: -0.013 local terms energy: -84.896430 where: bonds (distance) C4'-P energy: -14.456 bonds (distance) P-C4' energy: -19.768 flat angles C4'-P-C4' energy: -15.553 flat angles P-C4'-P energy: -17.501 tors. eta vs tors. theta energy: -17.619 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: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -155.538063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.538063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.538063 (E_RNA) where: Base-Base interactions energy: -78.237 where: short stacking energy: -78.237 Base-Backbone interact. energy: -0.192 local terms energy: -77.109503 where: bonds (distance) C4'-P energy: -16.775 bonds (distance) P-C4' energy: -18.507 flat angles C4'-P-C4' energy: -15.075 flat angles P-C4'-P energy: -13.132 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: 6, replica: 4 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -116.221664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.221664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.221664 (E_RNA) where: Base-Base interactions energy: -52.292 where: short stacking energy: -52.292 Base-Backbone interact. energy: -0.705 local terms energy: -63.225161 where: bonds (distance) C4'-P energy: -12.520 bonds (distance) P-C4' energy: -21.458 flat angles C4'-P-C4' energy: -14.485 flat angles P-C4'-P energy: -11.689 tors. eta vs tors. theta energy: -3.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -132.017060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.017060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.017060 (E_RNA) where: Base-Base interactions energy: -70.630 where: short stacking energy: -70.166 Base-Backbone interact. energy: -0.034 local terms energy: -61.352869 where: bonds (distance) C4'-P energy: -20.033 bonds (distance) P-C4' energy: -20.520 flat angles C4'-P-C4' energy: -7.291 flat angles P-C4'-P energy: -6.028 tors. eta vs tors. theta energy: -7.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -127.642891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.642891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.642891 (E_RNA) where: Base-Base interactions energy: -63.139 where: short stacking energy: -63.139 Base-Backbone interact. energy: -0.385 local terms energy: -64.118734 where: bonds (distance) C4'-P energy: -10.116 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -19.046 flat angles P-C4'-P energy: -9.844 tors. eta vs tors. theta energy: -12.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -115.102522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.102522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.102522 (E_RNA) where: Base-Base interactions energy: -49.640 where: short stacking energy: -47.731 Base-Backbone interact. energy: -0.692 local terms energy: -64.770399 where: bonds (distance) C4'-P energy: -15.221 bonds (distance) P-C4' energy: -15.144 flat angles C4'-P-C4' energy: -16.118 flat angles P-C4'-P energy: -14.755 tors. eta vs tors. theta energy: -3.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -111.220587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.220587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.220587 (E_RNA) where: Base-Base interactions energy: -43.571 where: short stacking energy: -43.403 Base-Backbone interact. energy: 0.506 local terms energy: -68.156181 where: bonds (distance) C4'-P energy: -18.261 bonds (distance) P-C4' energy: -17.114 flat angles C4'-P-C4' energy: -13.906 flat angles P-C4'-P energy: -11.859 tors. eta vs tors. theta energy: -7.016 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: 2 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -211.498127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.498127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.498127 (E_RNA) where: Base-Base interactions energy: -110.897 where: short stacking energy: -110.897 Base-Backbone interact. energy: -2.021 local terms energy: -98.579923 where: bonds (distance) C4'-P energy: -15.167 bonds (distance) P-C4' energy: -21.013 flat angles C4'-P-C4' energy: -18.091 flat angles P-C4'-P energy: -17.949 tors. eta vs tors. theta energy: -26.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -215.105098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.105098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.105098 (E_RNA) where: Base-Base interactions energy: -116.072 where: short stacking energy: -116.072 Base-Backbone interact. energy: -0.000 local terms energy: -99.032577 where: bonds (distance) C4'-P energy: -17.214 bonds (distance) P-C4' energy: -19.052 flat angles C4'-P-C4' energy: -18.910 flat angles P-C4'-P energy: -13.193 tors. eta vs tors. theta energy: -30.664 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: 8 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -181.243264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.243264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.243264 (E_RNA) where: Base-Base interactions energy: -100.486 where: short stacking energy: -100.486 Base-Backbone interact. energy: -0.000 local terms energy: -80.756811 where: bonds (distance) C4'-P energy: -16.813 bonds (distance) P-C4' energy: -17.205 flat angles C4'-P-C4' energy: -19.295 flat angles P-C4'-P energy: -7.479 tors. eta vs tors. theta energy: -19.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -175.545685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.545685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.545685 (E_RNA) where: Base-Base interactions energy: -93.748 where: short stacking energy: -93.602 Base-Backbone interact. energy: -0.096 local terms energy: -81.701265 where: bonds (distance) C4'-P energy: -14.520 bonds (distance) P-C4' energy: -20.473 flat angles C4'-P-C4' energy: -16.164 flat angles P-C4'-P energy: -12.996 tors. eta vs tors. theta energy: -17.549 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: 3 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -162.161341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.161341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.161341 (E_RNA) where: Base-Base interactions energy: -80.225 where: short stacking energy: -80.225 Base-Backbone interact. energy: 3.442 local terms energy: -85.378843 where: bonds (distance) C4'-P energy: -14.751 bonds (distance) P-C4' energy: -19.238 flat angles C4'-P-C4' energy: -16.994 flat angles P-C4'-P energy: -14.437 tors. eta vs tors. theta energy: -19.960 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: 107 Temperature: 1.150000 Total energy: -139.070617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.070617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.070617 (E_RNA) where: Base-Base interactions energy: -69.723 where: short stacking energy: -69.723 Base-Backbone interact. energy: -0.340 local terms energy: -69.007483 where: bonds (distance) C4'-P energy: -15.366 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -16.862 flat angles P-C4'-P energy: -11.941 tors. eta vs tors. theta energy: -10.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -153.324169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.324169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.324169 (E_RNA) where: Base-Base interactions energy: -86.210 where: short stacking energy: -86.210 Base-Backbone interact. energy: -0.164 local terms energy: -66.950703 where: bonds (distance) C4'-P energy: -9.791 bonds (distance) P-C4' energy: -18.331 flat angles C4'-P-C4' energy: -12.574 flat angles P-C4'-P energy: -13.288 tors. eta vs tors. theta energy: -12.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -124.536618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.536618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.536618 (E_RNA) where: Base-Base interactions energy: -58.449 where: short stacking energy: -58.449 Base-Backbone interact. energy: -0.005 local terms energy: -66.082147 where: bonds (distance) C4'-P energy: -19.830 bonds (distance) P-C4' energy: -15.956 flat angles C4'-P-C4' energy: -12.009 flat angles P-C4'-P energy: -12.232 tors. eta vs tors. theta energy: -6.056 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: 6 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -132.731535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.731535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.731535 (E_RNA) where: Base-Base interactions energy: -62.375 where: short stacking energy: -62.375 Base-Backbone interact. energy: -0.109 local terms energy: -70.246823 where: bonds (distance) C4'-P energy: -14.161 bonds (distance) P-C4' energy: -18.599 flat angles C4'-P-C4' energy: -10.606 flat angles P-C4'-P energy: -15.359 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: 10, replica: 7 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -102.923590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.923590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.923590 (E_RNA) where: Base-Base interactions energy: -52.963 where: short stacking energy: -48.055 Base-Backbone interact. energy: -0.252 local terms energy: -49.708926 where: bonds (distance) C4'-P energy: -9.094 bonds (distance) P-C4' energy: -18.442 flat angles C4'-P-C4' energy: -15.829 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: -2.817 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: 1 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -227.293073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.293073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.293073 (E_RNA) where: Base-Base interactions energy: -123.554 where: short stacking energy: -123.554 Base-Backbone interact. energy: -0.000 local terms energy: -103.739138 where: bonds (distance) C4'-P energy: -17.715 bonds (distance) P-C4' energy: -20.066 flat angles C4'-P-C4' energy: -21.548 flat angles P-C4'-P energy: -12.441 tors. eta vs tors. theta energy: -31.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -196.910756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.910756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.910756 (E_RNA) where: Base-Base interactions energy: -100.259 where: short stacking energy: -100.259 Base-Backbone interact. energy: -0.722 local terms energy: -95.928852 where: bonds (distance) C4'-P energy: -20.786 bonds (distance) P-C4' energy: -17.456 flat angles C4'-P-C4' energy: -18.363 flat angles P-C4'-P energy: -16.300 tors. eta vs tors. theta energy: -23.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -185.728452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.728452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.728452 (E_RNA) where: Base-Base interactions energy: -100.183 where: short stacking energy: -100.183 Base-Backbone interact. energy: -0.030 local terms energy: -85.514945 where: bonds (distance) C4'-P energy: -14.175 bonds (distance) P-C4' energy: -20.302 flat angles C4'-P-C4' energy: -18.132 flat angles P-C4'-P energy: -10.922 tors. eta vs tors. theta energy: -21.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -178.836524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.836524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.836524 (E_RNA) where: Base-Base interactions energy: -95.607 where: short stacking energy: -95.607 Base-Backbone interact. energy: -0.342 local terms energy: -82.887426 where: bonds (distance) C4'-P energy: -18.654 bonds (distance) P-C4' energy: -17.584 flat angles C4'-P-C4' energy: -14.970 flat angles P-C4'-P energy: -11.518 tors. eta vs tors. theta energy: -20.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -171.390681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.390681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.390681 (E_RNA) where: Base-Base interactions energy: -91.865 where: short stacking energy: -91.865 Base-Backbone interact. energy: -0.014 local terms energy: -79.511520 where: bonds (distance) C4'-P energy: -14.384 bonds (distance) P-C4' energy: -18.660 flat angles C4'-P-C4' energy: -17.842 flat angles P-C4'-P energy: -10.046 tors. eta vs tors. theta energy: -18.579 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: 3 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -138.318121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.318121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.318121 (E_RNA) where: Base-Base interactions energy: -58.364 where: short stacking energy: -58.344 Base-Backbone interact. energy: -0.078 local terms energy: -79.876153 where: bonds (distance) C4'-P energy: -17.574 bonds (distance) P-C4' energy: -18.645 flat angles C4'-P-C4' energy: -20.858 flat angles P-C4'-P energy: -10.682 tors. eta vs tors. theta energy: -12.117 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: 5 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -150.254105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.254105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.254105 (E_RNA) where: Base-Base interactions energy: -83.814 where: short stacking energy: -83.814 Base-Backbone interact. energy: 0.103 local terms energy: -66.543228 where: bonds (distance) C4'-P energy: -12.760 bonds (distance) P-C4' energy: -16.075 flat angles C4'-P-C4' energy: -12.462 flat angles P-C4'-P energy: -11.588 tors. eta vs tors. theta energy: -13.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -122.259531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.259531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.259531 (E_RNA) where: Base-Base interactions energy: -59.571 where: short stacking energy: -59.571 Base-Backbone interact. energy: 0.460 local terms energy: -63.148005 where: bonds (distance) C4'-P energy: -14.242 bonds (distance) P-C4' energy: -12.365 flat angles C4'-P-C4' energy: -15.873 flat angles P-C4'-P energy: -13.764 tors. eta vs tors. theta energy: -6.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -139.894346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.894346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.894346 (E_RNA) where: Base-Base interactions energy: -68.447 where: short stacking energy: -68.919 Base-Backbone interact. energy: -0.030 local terms energy: -71.416738 where: bonds (distance) C4'-P energy: -15.156 bonds (distance) P-C4' energy: -17.372 flat angles C4'-P-C4' energy: -18.433 flat angles P-C4'-P energy: -7.544 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: 10, replica: 6 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -125.053025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.053025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.053025 (E_RNA) where: Base-Base interactions energy: -63.524 where: short stacking energy: -62.681 Base-Backbone interact. energy: -0.498 local terms energy: -61.030652 where: bonds (distance) C4'-P energy: -8.855 bonds (distance) P-C4' energy: -14.095 flat angles C4'-P-C4' energy: -15.738 flat angles P-C4'-P energy: -9.718 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: 1, replica: 1 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -221.181363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.181363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.181363 (E_RNA) where: Base-Base interactions energy: -119.875 where: short stacking energy: -119.875 Base-Backbone interact. energy: -0.000 local terms energy: -101.305944 where: bonds (distance) C4'-P energy: -16.799 bonds (distance) P-C4' energy: -18.720 flat angles C4'-P-C4' energy: -18.480 flat angles P-C4'-P energy: -15.976 tors. eta vs tors. theta energy: -31.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -195.527960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.527960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.527960 (E_RNA) where: Base-Base interactions energy: -104.832 where: short stacking energy: -104.832 Base-Backbone interact. energy: 0.074 local terms energy: -90.769022 where: bonds (distance) C4'-P energy: -17.454 bonds (distance) P-C4' energy: -17.991 flat angles C4'-P-C4' energy: -18.936 flat angles P-C4'-P energy: -13.566 tors. eta vs tors. theta energy: -22.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -159.181758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.181758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.181758 (E_RNA) where: Base-Base interactions energy: -83.110 where: short stacking energy: -83.110 Base-Backbone interact. energy: -0.053 local terms energy: -76.019218 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -18.060 flat angles C4'-P-C4' energy: -20.118 flat angles P-C4'-P energy: -14.286 tors. eta vs tors. theta energy: -11.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -176.029009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.029009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.029009 (E_RNA) where: Base-Base interactions energy: -91.373 where: short stacking energy: -87.064 Base-Backbone interact. energy: -0.215 local terms energy: -84.441303 where: bonds (distance) C4'-P energy: -10.951 bonds (distance) P-C4' energy: -22.659 flat angles C4'-P-C4' energy: -19.678 flat angles P-C4'-P energy: -10.983 tors. eta vs tors. theta energy: -20.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -172.614714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.614714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.614714 (E_RNA) where: Base-Base interactions energy: -88.058 where: short stacking energy: -88.058 Base-Backbone interact. energy: -0.035 local terms energy: -84.521526 where: bonds (distance) C4'-P energy: -15.048 bonds (distance) P-C4' energy: -17.764 flat angles C4'-P-C4' energy: -15.933 flat angles P-C4'-P energy: -14.746 tors. eta vs tors. theta energy: -21.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -149.839414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.839414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.839414 (E_RNA) where: Base-Base interactions energy: -73.572 where: short stacking energy: -72.003 Base-Backbone interact. energy: -0.003 local terms energy: -76.264083 where: bonds (distance) C4'-P energy: -19.272 bonds (distance) P-C4' energy: -16.483 flat angles C4'-P-C4' energy: -14.717 flat angles P-C4'-P energy: -12.087 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: 7, replica: 3 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -148.835480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.835480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.835480 (E_RNA) where: Base-Base interactions energy: -74.843 where: short stacking energy: -74.776 Base-Backbone interact. energy: -0.297 local terms energy: -73.696253 where: bonds (distance) C4'-P energy: -17.424 bonds (distance) P-C4' energy: -19.314 flat angles C4'-P-C4' energy: -15.135 flat angles P-C4'-P energy: -11.571 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: 8, replica: 10 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -140.724248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.724248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.724248 (E_RNA) where: Base-Base interactions energy: -71.157 where: short stacking energy: -70.615 Base-Backbone interact. energy: -0.097 local terms energy: -69.469376 where: bonds (distance) C4'-P energy: -18.555 bonds (distance) P-C4' energy: -12.882 flat angles C4'-P-C4' energy: -17.963 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -15.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -109.538660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.538660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.538660 (E_RNA) where: Base-Base interactions energy: -49.137 where: short stacking energy: -41.434 Base-Backbone interact. energy: -0.692 local terms energy: -59.710524 where: bonds (distance) C4'-P energy: -10.327 bonds (distance) P-C4' energy: -19.152 flat angles C4'-P-C4' energy: -16.151 flat angles P-C4'-P energy: -10.527 tors. eta vs tors. theta energy: -3.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -118.059853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.059853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.059853 (E_RNA) where: Base-Base interactions energy: -52.806 where: short stacking energy: -52.806 Base-Backbone interact. energy: -0.274 local terms energy: -64.979955 where: bonds (distance) C4'-P energy: -15.354 bonds (distance) P-C4' energy: -18.285 flat angles C4'-P-C4' energy: -14.067 flat angles P-C4'-P energy: -5.577 tors. eta vs tors. theta energy: -11.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -231.346207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.346207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.346207 (E_RNA) where: Base-Base interactions energy: -128.028 where: short stacking energy: -128.028 Base-Backbone interact. energy: -0.000 local terms energy: -103.318056 where: bonds (distance) C4'-P energy: -14.165 bonds (distance) P-C4' energy: -20.639 flat angles C4'-P-C4' energy: -21.139 flat angles P-C4'-P energy: -16.193 tors. eta vs tors. theta energy: -31.183 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: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -182.002837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.002837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.002837 (E_RNA) where: Base-Base interactions energy: -94.722 where: short stacking energy: -94.722 Base-Backbone interact. energy: -0.099 local terms energy: -87.182515 where: bonds (distance) C4'-P energy: -18.177 bonds (distance) P-C4' energy: -19.497 flat angles C4'-P-C4' energy: -18.707 flat angles P-C4'-P energy: -9.156 tors. eta vs tors. theta energy: -21.646 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: 4 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -180.741310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.741310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.741310 (E_RNA) where: Base-Base interactions energy: -91.498 where: short stacking energy: -91.336 Base-Backbone interact. energy: -0.056 local terms energy: -89.187353 where: bonds (distance) C4'-P energy: -18.219 bonds (distance) P-C4' energy: -17.634 flat angles C4'-P-C4' energy: -20.480 flat angles P-C4'-P energy: -11.851 tors. eta vs tors. theta energy: -21.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -181.145075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.145075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.145075 (E_RNA) where: Base-Base interactions energy: -95.897 where: short stacking energy: -95.897 Base-Backbone interact. energy: -0.031 local terms energy: -85.217486 where: bonds (distance) C4'-P energy: -19.235 bonds (distance) P-C4' energy: -16.319 flat angles C4'-P-C4' energy: -18.939 flat angles P-C4'-P energy: -12.459 tors. eta vs tors. theta energy: -18.266 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: 110 Temperature: 1.100000 Total energy: -173.375506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.375506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.375506 (E_RNA) where: Base-Base interactions energy: -89.329 where: short stacking energy: -89.710 Base-Backbone interact. energy: -1.139 local terms energy: -82.907255 where: bonds (distance) C4'-P energy: -19.073 bonds (distance) P-C4' energy: -18.377 flat angles C4'-P-C4' energy: -14.922 flat angles P-C4'-P energy: -9.345 tors. eta vs tors. theta energy: -21.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -180.757622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.757622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.757622 (E_RNA) where: Base-Base interactions energy: -88.857 where: short stacking energy: -88.857 Base-Backbone interact. energy: -0.099 local terms energy: -91.801270 where: bonds (distance) C4'-P energy: -14.361 bonds (distance) P-C4' energy: -20.998 flat angles C4'-P-C4' energy: -20.444 flat angles P-C4'-P energy: -13.219 tors. eta vs tors. theta energy: -22.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -156.883455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.883455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.883455 (E_RNA) where: Base-Base interactions energy: -78.895 where: short stacking energy: -78.895 Base-Backbone interact. energy: -0.028 local terms energy: -77.960282 where: bonds (distance) C4'-P energy: -13.519 bonds (distance) P-C4' energy: -17.338 flat angles C4'-P-C4' energy: -17.382 flat angles P-C4'-P energy: -10.123 tors. eta vs tors. theta energy: -19.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -130.878804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.878804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.878804 (E_RNA) where: Base-Base interactions energy: -67.190 where: short stacking energy: -67.190 Base-Backbone interact. energy: -0.015 local terms energy: -63.673966 where: bonds (distance) C4'-P energy: -12.223 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -17.388 flat angles P-C4'-P energy: -5.910 tors. eta vs tors. theta energy: -13.863 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: 9, replica: 6 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -122.160499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.160499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.160499 (E_RNA) where: Base-Base interactions energy: -52.270 where: short stacking energy: -52.270 Base-Backbone interact. energy: -1.029 local terms energy: -68.862206 where: bonds (distance) C4'-P energy: -16.982 bonds (distance) P-C4' energy: -17.177 flat angles C4'-P-C4' energy: -16.447 flat angles P-C4'-P energy: -8.892 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: 10, replica: 7 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -103.019831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.019831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.019831 (E_RNA) where: Base-Base interactions energy: -42.742 where: short stacking energy: -42.742 Base-Backbone interact. energy: 0.163 local terms energy: -60.440809 where: bonds (distance) C4'-P energy: -14.125 bonds (distance) P-C4' energy: -12.689 flat angles C4'-P-C4' energy: -16.630 flat angles P-C4'-P energy: -10.132 tors. eta vs tors. theta energy: -6.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -216.190510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.190510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.190510 (E_RNA) where: Base-Base interactions energy: -113.152 where: short stacking energy: -113.152 Base-Backbone interact. energy: -0.000 local terms energy: -103.038836 where: bonds (distance) C4'-P energy: -18.828 bonds (distance) P-C4' energy: -18.491 flat angles C4'-P-C4' energy: -22.773 flat angles P-C4'-P energy: -14.394 tors. eta vs tors. theta energy: -28.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -196.691486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.691486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.691486 (E_RNA) where: Base-Base interactions energy: -103.497 where: short stacking energy: -103.497 Base-Backbone interact. energy: -0.032 local terms energy: -93.162516 where: bonds (distance) C4'-P energy: -18.211 bonds (distance) P-C4' energy: -17.908 flat angles C4'-P-C4' energy: -18.861 flat angles P-C4'-P energy: -12.545 tors. eta vs tors. theta energy: -25.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -202.091879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.091879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.091879 (E_RNA) where: Base-Base interactions energy: -107.877 where: short stacking energy: -107.877 Base-Backbone interact. energy: -0.002 local terms energy: -94.212365 where: bonds (distance) C4'-P energy: -17.857 bonds (distance) P-C4' energy: -21.532 flat angles C4'-P-C4' energy: -19.193 flat angles P-C4'-P energy: -12.279 tors. eta vs tors. theta energy: -23.352 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: 4, replica: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -177.033716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.033716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.033716 (E_RNA) where: Base-Base interactions energy: -100.788 where: short stacking energy: -100.788 Base-Backbone interact. energy: -0.002 local terms energy: -76.243628 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -20.563 flat angles C4'-P-C4' energy: -16.714 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -21.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -172.594653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.594653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.594653 (E_RNA) where: Base-Base interactions energy: -88.364 where: short stacking energy: -88.364 Base-Backbone interact. energy: -0.287 local terms energy: -83.943356 where: bonds (distance) C4'-P energy: -16.577 bonds (distance) P-C4' energy: -16.768 flat angles C4'-P-C4' energy: -18.385 flat angles P-C4'-P energy: -12.071 tors. eta vs tors. theta energy: -20.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -147.631447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.631447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.631447 (E_RNA) where: Base-Base interactions energy: -79.778 where: short stacking energy: -79.778 Base-Backbone interact. energy: -0.056 local terms energy: -67.797440 where: bonds (distance) C4'-P energy: -14.692 bonds (distance) P-C4' energy: -17.355 flat angles C4'-P-C4' energy: -10.910 flat angles P-C4'-P energy: -12.068 tors. eta vs tors. theta energy: -12.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -144.704555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.704555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.704555 (E_RNA) where: Base-Base interactions energy: -68.803 where: short stacking energy: -68.803 Base-Backbone interact. energy: -0.003 local terms energy: -75.898709 where: bonds (distance) C4'-P energy: -19.590 bonds (distance) P-C4' energy: -17.564 flat angles C4'-P-C4' energy: -15.445 flat angles P-C4'-P energy: -10.109 tors. eta vs tors. theta energy: -13.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -118.615343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.615343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.615343 (E_RNA) where: Base-Base interactions energy: -54.429 where: short stacking energy: -54.929 Base-Backbone interact. energy: -0.007 local terms energy: -64.179430 where: bonds (distance) C4'-P energy: -16.198 bonds (distance) P-C4' energy: -16.015 flat angles C4'-P-C4' energy: -14.835 flat angles P-C4'-P energy: -7.231 tors. eta vs tors. theta energy: -9.900 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: 3 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -116.457669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.457669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.457669 (E_RNA) where: Base-Base interactions energy: -48.167 where: short stacking energy: -46.153 Base-Backbone interact. energy: -1.357 local terms energy: -66.933943 where: bonds (distance) C4'-P energy: -17.239 bonds (distance) P-C4' energy: -18.073 flat angles C4'-P-C4' energy: -18.522 flat angles P-C4'-P energy: -9.039 tors. eta vs tors. theta energy: -4.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -101.914899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.914899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.914899 (E_RNA) where: Base-Base interactions energy: -45.775 where: short stacking energy: -45.775 Base-Backbone interact. energy: -0.132 local terms energy: -56.007141 where: bonds (distance) C4'-P energy: -10.255 bonds (distance) P-C4' energy: -21.381 flat angles C4'-P-C4' energy: -15.733 flat angles P-C4'-P energy: -6.567 tors. eta vs tors. theta energy: -2.072 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: 1 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -228.348228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.348228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.348228 (E_RNA) where: Base-Base interactions energy: -123.413 where: short stacking energy: -123.413 Base-Backbone interact. energy: -0.000 local terms energy: -104.935411 where: bonds (distance) C4'-P energy: -19.002 bonds (distance) P-C4' energy: -19.762 flat angles C4'-P-C4' energy: -21.331 flat angles P-C4'-P energy: -14.848 tors. eta vs tors. theta energy: -29.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -204.140073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.140073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.140073 (E_RNA) where: Base-Base interactions energy: -110.584 where: short stacking energy: -110.584 Base-Backbone interact. energy: -0.010 local terms energy: -93.545920 where: bonds (distance) C4'-P energy: -18.754 bonds (distance) P-C4' energy: -15.426 flat angles C4'-P-C4' energy: -16.168 flat angles P-C4'-P energy: -14.900 tors. eta vs tors. theta energy: -28.297 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: 3, replica: 2 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -205.163716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.163716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.163716 (E_RNA) where: Base-Base interactions energy: -114.354 where: short stacking energy: -114.354 Base-Backbone interact. energy: -0.100 local terms energy: -90.709494 where: bonds (distance) C4'-P energy: -15.473 bonds (distance) P-C4' energy: -18.594 flat angles C4'-P-C4' energy: -17.443 flat angles P-C4'-P energy: -12.632 tors. eta vs tors. theta energy: -26.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -171.381148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.381148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.381148 (E_RNA) where: Base-Base interactions energy: -92.088 where: short stacking energy: -92.088 Base-Backbone interact. energy: -0.023 local terms energy: -79.270183 where: bonds (distance) C4'-P energy: -17.123 bonds (distance) P-C4' energy: -21.060 flat angles C4'-P-C4' energy: -18.458 flat angles P-C4'-P energy: -10.103 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: 5, replica: 10 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -169.699764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.699764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.699764 (E_RNA) where: Base-Base interactions energy: -84.067 where: short stacking energy: -83.951 Base-Backbone interact. energy: -0.114 local terms energy: -85.518894 where: bonds (distance) C4'-P energy: -18.712 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -17.850 flat angles P-C4'-P energy: -13.758 tors. eta vs tors. theta energy: -18.201 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: 112 Temperature: 1.150000 Total energy: -149.347815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.347815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.347815 (E_RNA) where: Base-Base interactions energy: -75.236 where: short stacking energy: -75.236 Base-Backbone interact. energy: -0.085 local terms energy: -74.026551 where: bonds (distance) C4'-P energy: -17.066 bonds (distance) P-C4' energy: -11.639 flat angles C4'-P-C4' energy: -17.741 flat angles P-C4'-P energy: -11.860 tors. eta vs tors. theta energy: -15.721 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: 9 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -140.700110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.700110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.700110 (E_RNA) where: Base-Base interactions energy: -75.271 where: short stacking energy: -71.329 Base-Backbone interact. energy: -0.170 local terms energy: -65.259248 where: bonds (distance) C4'-P energy: -13.765 bonds (distance) P-C4' energy: -17.937 flat angles C4'-P-C4' energy: -16.802 flat angles P-C4'-P energy: -12.342 tors. eta vs tors. theta energy: -4.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -152.976227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.976227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.976227 (E_RNA) where: Base-Base interactions energy: -79.437 where: short stacking energy: -79.437 Base-Backbone interact. energy: -0.005 local terms energy: -73.534764 where: bonds (distance) C4'-P energy: -16.576 bonds (distance) P-C4' energy: -10.985 flat angles C4'-P-C4' energy: -18.625 flat angles P-C4'-P energy: -11.289 tors. eta vs tors. theta energy: -16.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -125.954134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.954134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.954134 (E_RNA) where: Base-Base interactions energy: -58.850 where: short stacking energy: -58.850 Base-Backbone interact. energy: -0.102 local terms energy: -67.002161 where: bonds (distance) C4'-P energy: -14.540 bonds (distance) P-C4' energy: -16.184 flat angles C4'-P-C4' energy: -16.828 flat angles P-C4'-P energy: -9.648 tors. eta vs tors. theta energy: -9.802 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: 3 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -120.326024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.326024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.326024 (E_RNA) where: Base-Base interactions energy: -60.691 where: short stacking energy: -55.982 Base-Backbone interact. energy: 0.120 local terms energy: -59.755940 where: bonds (distance) C4'-P energy: -11.372 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -17.856 flat angles P-C4'-P energy: -10.395 tors. eta vs tors. theta energy: -4.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -229.688189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.688189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.688189 (E_RNA) where: Base-Base interactions energy: -126.924 where: short stacking energy: -126.924 Base-Backbone interact. energy: -0.000 local terms energy: -102.763813 where: bonds (distance) C4'-P energy: -17.061 bonds (distance) P-C4' energy: -21.684 flat angles C4'-P-C4' energy: -21.476 flat angles P-C4'-P energy: -12.560 tors. eta vs tors. theta energy: -29.983 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: 113 Temperature: 0.950000 Total energy: -189.642991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.642991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.642991 (E_RNA) where: Base-Base interactions energy: -100.714 where: short stacking energy: -100.714 Base-Backbone interact. energy: -0.026 local terms energy: -88.902381 where: bonds (distance) C4'-P energy: -18.999 bonds (distance) P-C4' energy: -17.481 flat angles C4'-P-C4' energy: -19.481 flat angles P-C4'-P energy: -9.552 tors. eta vs tors. theta energy: -23.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -187.919426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.919426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.919426 (E_RNA) where: Base-Base interactions energy: -99.366 where: short stacking energy: -95.461 Base-Backbone interact. energy: -0.366 local terms energy: -88.187825 where: bonds (distance) C4'-P energy: -18.439 bonds (distance) P-C4' energy: -21.087 flat angles C4'-P-C4' energy: -16.326 flat angles P-C4'-P energy: -13.233 tors. eta vs tors. theta energy: -19.102 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: 10 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -174.241056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.241056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.241056 (E_RNA) where: Base-Base interactions energy: -88.395 where: short stacking energy: -88.395 Base-Backbone interact. energy: -0.032 local terms energy: -85.814632 where: bonds (distance) C4'-P energy: -17.703 bonds (distance) P-C4' energy: -19.570 flat angles C4'-P-C4' energy: -16.833 flat angles P-C4'-P energy: -12.400 tors. eta vs tors. theta energy: -19.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -158.709225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.709225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.709225 (E_RNA) where: Base-Base interactions energy: -86.657 where: short stacking energy: -86.657 Base-Backbone interact. energy: -0.079 local terms energy: -71.972608 where: bonds (distance) C4'-P energy: -14.597 bonds (distance) P-C4' energy: -16.371 flat angles C4'-P-C4' energy: -18.712 flat angles P-C4'-P energy: -6.397 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: 6, replica: 8 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -136.856334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.856334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.856334 (E_RNA) where: Base-Base interactions energy: -67.795 where: short stacking energy: -67.795 Base-Backbone interact. energy: 0.212 local terms energy: -69.272596 where: bonds (distance) C4'-P energy: -17.234 bonds (distance) P-C4' energy: -15.597 flat angles C4'-P-C4' energy: -12.862 flat angles P-C4'-P energy: -10.516 tors. eta vs tors. theta energy: -13.063 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: 113 Temperature: 1.200000 Total energy: -159.175183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.175183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.175183 (E_RNA) where: Base-Base interactions energy: -75.485 where: short stacking energy: -76.385 Base-Backbone interact. energy: -0.724 local terms energy: -82.965938 where: bonds (distance) C4'-P energy: -16.769 bonds (distance) P-C4' energy: -22.156 flat angles C4'-P-C4' energy: -17.848 flat angles P-C4'-P energy: -11.101 tors. eta vs tors. theta energy: -15.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -131.691309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.691309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.691309 (E_RNA) where: Base-Base interactions energy: -62.279 where: short stacking energy: -60.720 Base-Backbone interact. energy: -0.061 local terms energy: -69.351165 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -17.497 flat angles C4'-P-C4' energy: -13.478 flat angles P-C4'-P energy: -17.410 tors. eta vs tors. theta energy: -6.902 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: 6 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -110.520351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.520351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.520351 (E_RNA) where: Base-Base interactions energy: -45.345 where: short stacking energy: -44.163 Base-Backbone interact. energy: 0.183 local terms energy: -65.357953 where: bonds (distance) C4'-P energy: -15.532 bonds (distance) P-C4' energy: -18.981 flat angles C4'-P-C4' energy: -11.770 flat angles P-C4'-P energy: -10.388 tors. eta vs tors. theta energy: -8.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -111.532202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.532202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.532202 (E_RNA) where: Base-Base interactions energy: -45.284 where: short stacking energy: -45.284 Base-Backbone interact. energy: -0.240 local terms energy: -66.008478 where: bonds (distance) C4'-P energy: -18.546 bonds (distance) P-C4' energy: -21.077 flat angles C4'-P-C4' energy: -16.800 flat angles P-C4'-P energy: -9.510 tors. eta vs tors. theta energy: -0.075 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: 4 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -189.812157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.812157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.812157 (E_RNA) where: Base-Base interactions energy: -98.240 where: short stacking energy: -98.240 Base-Backbone interact. energy: -0.084 local terms energy: -91.487791 where: bonds (distance) C4'-P energy: -20.173 bonds (distance) P-C4' energy: -19.725 flat angles C4'-P-C4' energy: -19.667 flat angles P-C4'-P energy: -12.357 tors. eta vs tors. theta energy: -19.565 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: 1 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -209.439504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.439504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.439504 (E_RNA) where: Base-Base interactions energy: -112.538 where: short stacking energy: -112.538 Base-Backbone interact. energy: -0.023 local terms energy: -96.877817 where: bonds (distance) C4'-P energy: -20.232 bonds (distance) P-C4' energy: -17.781 flat angles C4'-P-C4' energy: -19.048 flat angles P-C4'-P energy: -11.472 tors. eta vs tors. theta energy: -28.346 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: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -196.480987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.480987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.480987 (E_RNA) where: Base-Base interactions energy: -106.480 where: short stacking energy: -106.480 Base-Backbone interact. energy: -0.269 local terms energy: -89.732495 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -17.534 flat angles C4'-P-C4' energy: -20.269 flat angles P-C4'-P energy: -13.242 tors. eta vs tors. theta energy: -25.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -175.815589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.815589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.815589 (E_RNA) where: Base-Base interactions energy: -83.459 where: short stacking energy: -83.959 Base-Backbone interact. energy: -0.024 local terms energy: -92.332700 where: bonds (distance) C4'-P energy: -19.207 bonds (distance) P-C4' energy: -18.965 flat angles C4'-P-C4' energy: -18.589 flat angles P-C4'-P energy: -14.855 tors. eta vs tors. theta energy: -20.717 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: 5, replica: 5 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -176.161000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.161000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.161000 (E_RNA) where: Base-Base interactions energy: -93.352 where: short stacking energy: -93.127 Base-Backbone interact. energy: -0.033 local terms energy: -82.775316 where: bonds (distance) C4'-P energy: -10.268 bonds (distance) P-C4' energy: -19.929 flat angles C4'-P-C4' energy: -20.413 flat angles P-C4'-P energy: -12.826 tors. eta vs tors. theta energy: -19.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -156.841020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.841020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.841020 (E_RNA) where: Base-Base interactions energy: -71.971 where: short stacking energy: -73.171 Base-Backbone interact. energy: -0.021 local terms energy: -84.848514 where: bonds (distance) C4'-P energy: -17.040 bonds (distance) P-C4' energy: -17.206 flat angles C4'-P-C4' energy: -19.444 flat angles P-C4'-P energy: -14.797 tors. eta vs tors. theta energy: -16.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -140.680733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.680733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.680733 (E_RNA) where: Base-Base interactions energy: -59.819 where: short stacking energy: -58.835 Base-Backbone interact. energy: -0.231 local terms energy: -80.630265 where: bonds (distance) C4'-P energy: -18.589 bonds (distance) P-C4' energy: -20.016 flat angles C4'-P-C4' energy: -15.931 flat angles P-C4'-P energy: -11.689 tors. eta vs tors. theta energy: -14.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -142.248256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.248256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.248256 (E_RNA) where: Base-Base interactions energy: -75.628 where: short stacking energy: -75.628 Base-Backbone interact. energy: -0.166 local terms energy: -66.454155 where: bonds (distance) C4'-P energy: -16.191 bonds (distance) P-C4' energy: -18.093 flat angles C4'-P-C4' energy: -15.626 flat angles P-C4'-P energy: -5.384 tors. eta vs tors. theta energy: -11.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -118.687137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.687137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.687137 (E_RNA) where: Base-Base interactions energy: -57.372 where: short stacking energy: -54.216 Base-Backbone interact. energy: 1.340 local terms energy: -62.655500 where: bonds (distance) C4'-P energy: -12.507 bonds (distance) P-C4' energy: -18.381 flat angles C4'-P-C4' energy: -14.276 flat angles P-C4'-P energy: -12.357 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: 10, replica: 6 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -108.997066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.997066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.997066 (E_RNA) where: Base-Base interactions energy: -55.176 where: short stacking energy: -55.176 Base-Backbone interact. energy: -0.325 local terms energy: -53.495321 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -13.989 flat angles C4'-P-C4' energy: -12.259 flat angles P-C4'-P energy: -9.949 tors. eta vs tors. theta energy: -4.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -202.758721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.758721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.758721 (E_RNA) where: Base-Base interactions energy: -112.420 where: short stacking energy: -109.639 Base-Backbone interact. energy: -0.501 local terms energy: -89.837939 where: bonds (distance) C4'-P energy: -16.713 bonds (distance) P-C4' energy: -21.116 flat angles C4'-P-C4' energy: -17.055 flat angles P-C4'-P energy: -12.916 tors. eta vs tors. theta energy: -22.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -196.645284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.645284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.645284 (E_RNA) where: Base-Base interactions energy: -103.948 where: short stacking energy: -103.948 Base-Backbone interact. energy: -0.025 local terms energy: -92.671986 where: bonds (distance) C4'-P energy: -17.626 bonds (distance) P-C4' energy: -20.443 flat angles C4'-P-C4' energy: -19.005 flat angles P-C4'-P energy: -12.729 tors. eta vs tors. theta energy: -22.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -209.180883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.180883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.180883 (E_RNA) where: Base-Base interactions energy: -108.905 where: short stacking energy: -108.905 Base-Backbone interact. energy: -0.000 local terms energy: -100.276171 where: bonds (distance) C4'-P energy: -20.311 bonds (distance) P-C4' energy: -19.030 flat angles C4'-P-C4' energy: -21.427 flat angles P-C4'-P energy: -11.543 tors. eta vs tors. theta energy: -27.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -164.216557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.216557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.216557 (E_RNA) where: Base-Base interactions energy: -83.742 where: short stacking energy: -83.742 Base-Backbone interact. energy: -0.001 local terms energy: -80.473580 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -19.632 flat angles C4'-P-C4' energy: -17.867 flat angles P-C4'-P energy: -11.604 tors. eta vs tors. theta energy: -16.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -165.922315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.922315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.922315 (E_RNA) where: Base-Base interactions energy: -83.749 where: short stacking energy: -81.709 Base-Backbone interact. energy: -0.695 local terms energy: -81.477830 where: bonds (distance) C4'-P energy: -17.271 bonds (distance) P-C4' energy: -20.785 flat angles C4'-P-C4' energy: -15.649 flat angles P-C4'-P energy: -12.999 tors. eta vs tors. theta energy: -14.774 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: 8 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -141.880384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.880384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.880384 (E_RNA) where: Base-Base interactions energy: -67.311 where: short stacking energy: -67.311 Base-Backbone interact. energy: 1.747 local terms energy: -76.316865 where: bonds (distance) C4'-P energy: -15.917 bonds (distance) P-C4' energy: -19.193 flat angles C4'-P-C4' energy: -18.650 flat angles P-C4'-P energy: -12.467 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: 7, replica: 9 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -135.069002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.069002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.069002 (E_RNA) where: Base-Base interactions energy: -63.311 where: short stacking energy: -63.294 Base-Backbone interact. energy: -0.305 local terms energy: -71.452799 where: bonds (distance) C4'-P energy: -15.355 bonds (distance) P-C4' energy: -21.010 flat angles C4'-P-C4' energy: -11.601 flat angles P-C4'-P energy: -13.710 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: 8, replica: 3 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -122.401480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.401480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.401480 (E_RNA) where: Base-Base interactions energy: -58.175 where: short stacking energy: -58.175 Base-Backbone interact. energy: -0.201 local terms energy: -64.025544 where: bonds (distance) C4'-P energy: -13.103 bonds (distance) P-C4' energy: -15.564 flat angles C4'-P-C4' energy: -13.529 flat angles P-C4'-P energy: -10.468 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: 9, replica: 7 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -119.977214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.977214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.977214 (E_RNA) where: Base-Base interactions energy: -61.478 where: short stacking energy: -61.478 Base-Backbone interact. energy: -0.165 local terms energy: -58.334339 where: bonds (distance) C4'-P energy: -18.853 bonds (distance) P-C4' energy: -14.538 flat angles C4'-P-C4' energy: -9.101 flat angles P-C4'-P energy: -8.032 tors. eta vs tors. theta energy: -7.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -111.677174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.677174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.677174 (E_RNA) where: Base-Base interactions energy: -50.484 where: short stacking energy: -50.484 Base-Backbone interact. energy: -0.158 local terms energy: -61.034742 where: bonds (distance) C4'-P energy: -17.370 bonds (distance) P-C4' energy: -14.186 flat angles C4'-P-C4' energy: -13.621 flat angles P-C4'-P energy: -12.166 tors. eta vs tors. theta energy: -3.692 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: 1, replica: 2 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -178.801163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.801163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.801163 (E_RNA) where: Base-Base interactions energy: -95.034 where: short stacking energy: -95.034 Base-Backbone interact. energy: -0.542 local terms energy: -83.224699 where: bonds (distance) C4'-P energy: -16.025 bonds (distance) P-C4' energy: -18.969 flat angles C4'-P-C4' energy: -21.513 flat angles P-C4'-P energy: -10.638 tors. eta vs tors. theta energy: -16.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -206.263350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.263350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.263350 (E_RNA) where: Base-Base interactions energy: -113.818 where: short stacking energy: -113.818 Base-Backbone interact. energy: -0.012 local terms energy: -92.432589 where: bonds (distance) C4'-P energy: -18.977 bonds (distance) P-C4' energy: -18.869 flat angles C4'-P-C4' energy: -17.545 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -26.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -198.097837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.097837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.097837 (E_RNA) where: Base-Base interactions energy: -111.913 where: short stacking energy: -111.913 Base-Backbone interact. energy: -0.010 local terms energy: -86.174300 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -20.722 flat angles C4'-P-C4' energy: -18.409 flat angles P-C4'-P energy: -10.549 tors. eta vs tors. theta energy: -23.369 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: 1 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -199.234938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.234938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.234938 (E_RNA) where: Base-Base interactions energy: -110.710 where: short stacking energy: -110.710 Base-Backbone interact. energy: -0.143 local terms energy: -88.382357 where: bonds (distance) C4'-P energy: -16.020 bonds (distance) P-C4' energy: -20.056 flat angles C4'-P-C4' energy: -14.891 flat angles P-C4'-P energy: -12.092 tors. eta vs tors. theta energy: -25.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -153.491684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.491684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.491684 (E_RNA) where: Base-Base interactions energy: -81.480 where: short stacking energy: -76.854 Base-Backbone interact. energy: 0.591 local terms energy: -72.603104 where: bonds (distance) C4'-P energy: -15.566 bonds (distance) P-C4' energy: -13.186 flat angles C4'-P-C4' energy: -18.666 flat angles P-C4'-P energy: -9.543 tors. eta vs tors. theta energy: -15.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -140.690716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.690716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.690716 (E_RNA) where: Base-Base interactions energy: -71.615 where: short stacking energy: -71.615 Base-Backbone interact. energy: -0.282 local terms energy: -68.793505 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -16.097 flat angles C4'-P-C4' energy: -17.305 flat angles P-C4'-P energy: -11.671 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: 7, replica: 3 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -146.265203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.265203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.265203 (E_RNA) where: Base-Base interactions energy: -73.721 where: short stacking energy: -73.721 Base-Backbone interact. energy: -0.003 local terms energy: -72.541318 where: bonds (distance) C4'-P energy: -19.312 bonds (distance) P-C4' energy: -17.750 flat angles C4'-P-C4' energy: -20.229 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -12.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -146.531767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.531767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.531767 (E_RNA) where: Base-Base interactions energy: -76.321 where: short stacking energy: -76.321 Base-Backbone interact. energy: -0.145 local terms energy: -70.066062 where: bonds (distance) C4'-P energy: -10.086 bonds (distance) P-C4' energy: -19.816 flat angles C4'-P-C4' energy: -14.319 flat angles P-C4'-P energy: -10.212 tors. eta vs tors. theta energy: -15.633 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: 6 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -134.747414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.747414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.747414 (E_RNA) where: Base-Base interactions energy: -68.789 where: short stacking energy: -68.789 Base-Backbone interact. energy: -0.148 local terms energy: -65.810438 where: bonds (distance) C4'-P energy: -15.302 bonds (distance) P-C4' energy: -16.500 flat angles C4'-P-C4' energy: -16.097 flat angles P-C4'-P energy: -10.841 tors. eta vs tors. theta energy: -7.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -130.302619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.302619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.302619 (E_RNA) where: Base-Base interactions energy: -53.995 where: short stacking energy: -53.995 Base-Backbone interact. energy: -0.117 local terms energy: -76.189910 where: bonds (distance) C4'-P energy: -16.518 bonds (distance) P-C4' energy: -19.299 flat angles C4'-P-C4' energy: -18.672 flat angles P-C4'-P energy: -8.707 tors. eta vs tors. theta energy: -12.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -199.381980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.381980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.381980 (E_RNA) where: Base-Base interactions energy: -102.725 where: short stacking energy: -102.725 Base-Backbone interact. energy: -0.000 local terms energy: -96.656571 where: bonds (distance) C4'-P energy: -18.540 bonds (distance) P-C4' energy: -19.712 flat angles C4'-P-C4' energy: -19.790 flat angles P-C4'-P energy: -12.444 tors. eta vs tors. theta energy: -26.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -204.725330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.725330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.725330 (E_RNA) where: Base-Base interactions energy: -112.204 where: short stacking energy: -112.204 Base-Backbone interact. energy: -0.001 local terms energy: -92.519812 where: bonds (distance) C4'-P energy: -19.424 bonds (distance) P-C4' energy: -20.555 flat angles C4'-P-C4' energy: -18.474 flat angles P-C4'-P energy: -8.513 tors. eta vs tors. theta energy: -25.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -191.549422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.549422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.549422 (E_RNA) where: Base-Base interactions energy: -94.803 where: short stacking energy: -94.425 Base-Backbone interact. energy: -0.050 local terms energy: -96.695696 where: bonds (distance) C4'-P energy: -19.404 bonds (distance) P-C4' energy: -18.911 flat angles C4'-P-C4' energy: -19.210 flat angles P-C4'-P energy: -15.448 tors. eta vs tors. theta energy: -23.722 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: 4, replica: 1 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -190.137536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.137536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.137536 (E_RNA) where: Base-Base interactions energy: -105.065 where: short stacking energy: -105.065 Base-Backbone interact. energy: -0.020 local terms energy: -85.052460 where: bonds (distance) C4'-P energy: -11.633 bonds (distance) P-C4' energy: -17.550 flat angles C4'-P-C4' energy: -16.392 flat angles P-C4'-P energy: -13.637 tors. eta vs tors. theta energy: -25.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -143.525709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.525709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.525709 (E_RNA) where: Base-Base interactions energy: -72.754 where: short stacking energy: -72.754 Base-Backbone interact. energy: -0.024 local terms energy: -70.748450 where: bonds (distance) C4'-P energy: -17.057 bonds (distance) P-C4' energy: -14.694 flat angles C4'-P-C4' energy: -17.723 flat angles P-C4'-P energy: -11.926 tors. eta vs tors. theta energy: -9.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -161.962725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.962725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.962725 (E_RNA) where: Base-Base interactions energy: -86.036 where: short stacking energy: -86.036 Base-Backbone interact. energy: -0.089 local terms energy: -75.837791 where: bonds (distance) C4'-P energy: -13.653 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -20.255 flat angles P-C4'-P energy: -11.457 tors. eta vs tors. theta energy: -15.559 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: 5 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -144.222110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.222110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.222110 (E_RNA) where: Base-Base interactions energy: -67.870 where: short stacking energy: -66.916 Base-Backbone interact. energy: -0.107 local terms energy: -76.244712 where: bonds (distance) C4'-P energy: -19.574 bonds (distance) P-C4' energy: -15.495 flat angles C4'-P-C4' energy: -17.409 flat angles P-C4'-P energy: -12.205 tors. eta vs tors. theta energy: -11.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -127.686446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.686446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.686446 (E_RNA) where: Base-Base interactions energy: -62.180 where: short stacking energy: -61.497 Base-Backbone interact. energy: -0.150 local terms energy: -65.355806 where: bonds (distance) C4'-P energy: -12.900 bonds (distance) P-C4' energy: -16.832 flat angles C4'-P-C4' energy: -17.424 flat angles P-C4'-P energy: -11.757 tors. eta vs tors. theta energy: -6.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -136.157529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.157529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.157529 (E_RNA) where: Base-Base interactions energy: -58.670 where: short stacking energy: -58.670 Base-Backbone interact. energy: -1.347 local terms energy: -76.140023 where: bonds (distance) C4'-P energy: -14.549 bonds (distance) P-C4' energy: -21.057 flat angles C4'-P-C4' energy: -15.256 flat angles P-C4'-P energy: -12.356 tors. eta vs tors. theta energy: -12.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -129.979765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.979765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.979765 (E_RNA) where: Base-Base interactions energy: -58.491 where: short stacking energy: -58.077 Base-Backbone interact. energy: 0.677 local terms energy: -72.165195 where: bonds (distance) C4'-P energy: -18.807 bonds (distance) P-C4' energy: -20.546 flat angles C4'-P-C4' energy: -13.631 flat angles P-C4'-P energy: -12.593 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: 1, replica: 10 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -224.992372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.992372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.992372 (E_RNA) where: Base-Base interactions energy: -121.054 where: short stacking energy: -121.054 Base-Backbone interact. energy: -0.001 local terms energy: -103.936464 where: bonds (distance) C4'-P energy: -19.370 bonds (distance) P-C4' energy: -19.450 flat angles C4'-P-C4' energy: -20.890 flat angles P-C4'-P energy: -15.540 tors. eta vs tors. theta energy: -28.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -206.848356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.848356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.848356 (E_RNA) where: Base-Base interactions energy: -112.255 where: short stacking energy: -112.255 Base-Backbone interact. energy: -0.011 local terms energy: -94.581772 where: bonds (distance) C4'-P energy: -17.155 bonds (distance) P-C4' energy: -17.189 flat angles C4'-P-C4' energy: -20.833 flat angles P-C4'-P energy: -11.229 tors. eta vs tors. theta energy: -28.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -208.231405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.231405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.231405 (E_RNA) where: Base-Base interactions energy: -111.786 where: short stacking energy: -111.786 Base-Backbone interact. energy: -0.000 local terms energy: -96.444739 where: bonds (distance) C4'-P energy: -17.636 bonds (distance) P-C4' energy: -18.301 flat angles C4'-P-C4' energy: -21.187 flat angles P-C4'-P energy: -12.536 tors. eta vs tors. theta energy: -26.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -208.278822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.278822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.278822 (E_RNA) where: Base-Base interactions energy: -119.595 where: short stacking energy: -119.595 Base-Backbone interact. energy: -0.001 local terms energy: -88.682861 where: bonds (distance) C4'-P energy: -15.092 bonds (distance) P-C4' energy: -17.187 flat angles C4'-P-C4' energy: -16.810 flat angles P-C4'-P energy: -13.453 tors. eta vs tors. theta energy: -26.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -172.355548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.355548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.355548 (E_RNA) where: Base-Base interactions energy: -80.932 where: short stacking energy: -80.932 Base-Backbone interact. energy: -0.000 local terms energy: -91.423228 where: bonds (distance) C4'-P energy: -19.428 bonds (distance) P-C4' energy: -18.614 flat angles C4'-P-C4' energy: -21.675 flat angles P-C4'-P energy: -15.305 tors. eta vs tors. theta energy: -16.401 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: 8 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -151.033639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.033639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.033639 (E_RNA) where: Base-Base interactions energy: -78.631 where: short stacking energy: -78.731 Base-Backbone interact. energy: -0.101 local terms energy: -72.301008 where: bonds (distance) C4'-P energy: -14.357 bonds (distance) P-C4' energy: -18.542 flat angles C4'-P-C4' energy: -17.002 flat angles P-C4'-P energy: -11.907 tors. eta vs tors. theta energy: -10.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -138.511694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.511694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.511694 (E_RNA) where: Base-Base interactions energy: -66.378 where: short stacking energy: -66.678 Base-Backbone interact. energy: -0.354 local terms energy: -71.780177 where: bonds (distance) C4'-P energy: -14.170 bonds (distance) P-C4' energy: -21.138 flat angles C4'-P-C4' energy: -14.273 flat angles P-C4'-P energy: -10.989 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: 8, replica: 6 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -117.997585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.997585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.997585 (E_RNA) where: Base-Base interactions energy: -58.827 where: short stacking energy: -58.827 Base-Backbone interact. energy: -0.742 local terms energy: -58.429206 where: bonds (distance) C4'-P energy: -16.073 bonds (distance) P-C4' energy: -10.248 flat angles C4'-P-C4' energy: -19.392 flat angles P-C4'-P energy: -8.543 tors. eta vs tors. theta energy: -4.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -119.052843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.052843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.052843 (E_RNA) where: Base-Base interactions energy: -56.995 where: short stacking energy: -54.397 Base-Backbone interact. energy: -0.303 local terms energy: -61.754412 where: bonds (distance) C4'-P energy: -14.821 bonds (distance) P-C4' energy: -14.451 flat angles C4'-P-C4' energy: -14.847 flat angles P-C4'-P energy: -11.518 tors. eta vs tors. theta energy: -6.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -119.351639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.351639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.351639 (E_RNA) where: Base-Base interactions energy: -57.769 where: short stacking energy: -52.044 Base-Backbone interact. energy: 0.356 local terms energy: -61.938623 where: bonds (distance) C4'-P energy: -17.785 bonds (distance) P-C4' energy: -19.739 flat angles C4'-P-C4' energy: -10.639 flat angles P-C4'-P energy: -8.464 tors. eta vs tors. theta energy: -5.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -218.470651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.470651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.470651 (E_RNA) where: Base-Base interactions energy: -116.607 where: short stacking energy: -116.607 Base-Backbone interact. energy: -0.054 local terms energy: -101.810464 where: bonds (distance) C4'-P energy: -16.230 bonds (distance) P-C4' energy: -22.119 flat angles C4'-P-C4' energy: -20.464 flat angles P-C4'-P energy: -14.402 tors. eta vs tors. theta energy: -28.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -212.981971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.981971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.981971 (E_RNA) where: Base-Base interactions energy: -117.939 where: short stacking energy: -117.939 Base-Backbone interact. energy: -0.103 local terms energy: -94.939230 where: bonds (distance) C4'-P energy: -16.873 bonds (distance) P-C4' energy: -20.151 flat angles C4'-P-C4' energy: -18.749 flat angles P-C4'-P energy: -13.072 tors. eta vs tors. theta energy: -26.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -191.807408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.807408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.807408 (E_RNA) where: Base-Base interactions energy: -99.698 where: short stacking energy: -99.698 Base-Backbone interact. energy: -0.085 local terms energy: -92.024317 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -20.051 flat angles P-C4'-P energy: -14.856 tors. eta vs tors. theta energy: -26.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -166.450998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.450998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.450998 (E_RNA) where: Base-Base interactions energy: -81.790 where: short stacking energy: -81.790 Base-Backbone interact. energy: -0.162 local terms energy: -84.499211 where: bonds (distance) C4'-P energy: -18.738 bonds (distance) P-C4' energy: -21.553 flat angles C4'-P-C4' energy: -11.887 flat angles P-C4'-P energy: -13.338 tors. eta vs tors. theta energy: -18.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -155.573092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.573092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.573092 (E_RNA) where: Base-Base interactions energy: -79.794 where: short stacking energy: -79.794 Base-Backbone interact. energy: -0.122 local terms energy: -75.657099 where: bonds (distance) C4'-P energy: -14.549 bonds (distance) P-C4' energy: -21.264 flat angles C4'-P-C4' energy: -16.038 flat angles P-C4'-P energy: -11.783 tors. eta vs tors. theta energy: -12.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -149.719504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.719504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.719504 (E_RNA) where: Base-Base interactions energy: -73.015 where: short stacking energy: -73.015 Base-Backbone interact. energy: -0.134 local terms energy: -76.570807 where: bonds (distance) C4'-P energy: -14.208 bonds (distance) P-C4' energy: -19.709 flat angles C4'-P-C4' energy: -14.523 flat angles P-C4'-P energy: -13.005 tors. eta vs tors. theta energy: -15.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -150.318141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.318141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.318141 (E_RNA) where: Base-Base interactions energy: -75.078 where: short stacking energy: -75.078 Base-Backbone interact. energy: 0.671 local terms energy: -75.911373 where: bonds (distance) C4'-P energy: -15.487 bonds (distance) P-C4' energy: -21.901 flat angles C4'-P-C4' energy: -14.442 flat angles P-C4'-P energy: -11.352 tors. eta vs tors. theta energy: -12.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -127.023981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.023981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.023981 (E_RNA) where: Base-Base interactions energy: -56.213 where: short stacking energy: -56.313 Base-Backbone interact. energy: -0.117 local terms energy: -70.693744 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -20.458 flat angles C4'-P-C4' energy: -13.221 flat angles P-C4'-P energy: -14.468 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: 9, replica: 6 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -115.100905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.100905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.100905 (E_RNA) where: Base-Base interactions energy: -54.078 where: short stacking energy: -54.078 Base-Backbone interact. energy: 0.787 local terms energy: -61.809599 where: bonds (distance) C4'-P energy: -18.916 bonds (distance) P-C4' energy: -20.222 flat angles C4'-P-C4' energy: -11.368 flat angles P-C4'-P energy: -7.343 tors. eta vs tors. theta energy: -3.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -114.361100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.361100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.361100 (E_RNA) where: Base-Base interactions energy: -59.088 where: short stacking energy: -55.744 Base-Backbone interact. energy: -0.593 local terms energy: -54.679989 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -6.981 flat angles C4'-P-C4' energy: -16.218 flat angles P-C4'-P energy: -9.026 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: 1, replica: 10 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -220.932743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.932743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.932743 (E_RNA) where: Base-Base interactions energy: -126.597 where: short stacking energy: -126.597 Base-Backbone interact. energy: -0.065 local terms energy: -94.270501 where: bonds (distance) C4'-P energy: -12.407 bonds (distance) P-C4' energy: -17.807 flat angles C4'-P-C4' energy: -20.570 flat angles P-C4'-P energy: -13.747 tors. eta vs tors. theta energy: -29.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -193.523804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.523804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.523804 (E_RNA) where: Base-Base interactions energy: -103.469 where: short stacking energy: -103.469 Base-Backbone interact. energy: -0.132 local terms energy: -89.922634 where: bonds (distance) C4'-P energy: -16.949 bonds (distance) P-C4' energy: -18.494 flat angles C4'-P-C4' energy: -19.320 flat angles P-C4'-P energy: -12.282 tors. eta vs tors. theta energy: -22.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -196.639243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.639243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.639243 (E_RNA) where: Base-Base interactions energy: -105.310 where: short stacking energy: -105.207 Base-Backbone interact. energy: -0.000 local terms energy: -91.329102 where: bonds (distance) C4'-P energy: -17.582 bonds (distance) P-C4' energy: -16.589 flat angles C4'-P-C4' energy: -20.338 flat angles P-C4'-P energy: -14.051 tors. eta vs tors. theta energy: -22.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -174.011379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.011379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.011379 (E_RNA) where: Base-Base interactions energy: -89.544 where: short stacking energy: -89.544 Base-Backbone interact. energy: -0.030 local terms energy: -84.437855 where: bonds (distance) C4'-P energy: -18.642 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -21.098 flat angles P-C4'-P energy: -12.611 tors. eta vs tors. theta energy: -16.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -163.048932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.048932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.048932 (E_RNA) where: Base-Base interactions energy: -80.741 where: short stacking energy: -80.741 Base-Backbone interact. energy: -0.076 local terms energy: -82.232593 where: bonds (distance) C4'-P energy: -18.153 bonds (distance) P-C4' energy: -19.194 flat angles C4'-P-C4' energy: -17.602 flat angles P-C4'-P energy: -13.117 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: 6, replica: 4 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -166.636103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.636103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.636103 (E_RNA) where: Base-Base interactions energy: -87.419 where: short stacking energy: -87.419 Base-Backbone interact. energy: -0.014 local terms energy: -79.203202 where: bonds (distance) C4'-P energy: -13.634 bonds (distance) P-C4' energy: -17.734 flat angles C4'-P-C4' energy: -19.752 flat angles P-C4'-P energy: -8.148 tors. eta vs tors. theta energy: -19.935 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: 8 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -144.925221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.925221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.925221 (E_RNA) where: Base-Base interactions energy: -74.243 where: short stacking energy: -74.243 Base-Backbone interact. energy: -0.098 local terms energy: -70.584551 where: bonds (distance) C4'-P energy: -14.374 bonds (distance) P-C4' energy: -11.969 flat angles C4'-P-C4' energy: -19.513 flat angles P-C4'-P energy: -9.241 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: 8, replica: 7 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -124.990392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.990392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.990392 (E_RNA) where: Base-Base interactions energy: -59.201 where: short stacking energy: -59.201 Base-Backbone interact. energy: 0.465 local terms energy: -66.254965 where: bonds (distance) C4'-P energy: -20.389 bonds (distance) P-C4' energy: -18.009 flat angles C4'-P-C4' energy: -10.270 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -10.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -118.683321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.683321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.683321 (E_RNA) where: Base-Base interactions energy: -56.124 where: short stacking energy: -56.124 Base-Backbone interact. energy: -0.440 local terms energy: -62.119569 where: bonds (distance) C4'-P energy: -10.871 bonds (distance) P-C4' energy: -16.643 flat angles C4'-P-C4' energy: -16.655 flat angles P-C4'-P energy: -11.262 tors. eta vs tors. theta energy: -6.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -112.574992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.574992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.574992 (E_RNA) where: Base-Base interactions energy: -57.104 where: short stacking energy: -54.388 Base-Backbone interact. energy: 0.199 local terms energy: -55.670496 where: bonds (distance) C4'-P energy: -10.420 bonds (distance) P-C4' energy: -19.295 flat angles C4'-P-C4' energy: -17.226 flat angles P-C4'-P energy: -3.910 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: 1, replica: 10 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -224.555695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.555695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.555695 (E_RNA) where: Base-Base interactions energy: -121.970 where: short stacking energy: -121.970 Base-Backbone interact. energy: -0.043 local terms energy: -102.543383 where: bonds (distance) C4'-P energy: -21.436 bonds (distance) P-C4' energy: -20.902 flat angles C4'-P-C4' energy: -21.039 flat angles P-C4'-P energy: -11.039 tors. eta vs tors. theta energy: -28.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -188.571623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.571623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.571623 (E_RNA) where: Base-Base interactions energy: -99.343 where: short stacking energy: -99.215 Base-Backbone interact. energy: -1.258 local terms energy: -87.969951 where: bonds (distance) C4'-P energy: -20.708 bonds (distance) P-C4' energy: -16.846 flat angles C4'-P-C4' energy: -13.791 flat angles P-C4'-P energy: -12.459 tors. eta vs tors. theta energy: -24.166 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: 2 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -172.352984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.352984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.352984 (E_RNA) where: Base-Base interactions energy: -84.898 where: short stacking energy: -84.898 Base-Backbone interact. energy: -0.104 local terms energy: -87.350636 where: bonds (distance) C4'-P energy: -19.466 bonds (distance) P-C4' energy: -20.697 flat angles C4'-P-C4' energy: -15.611 flat angles P-C4'-P energy: -14.987 tors. eta vs tors. theta energy: -16.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -177.415018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.415018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.415018 (E_RNA) where: Base-Base interactions energy: -89.318 where: short stacking energy: -89.318 Base-Backbone interact. energy: -0.704 local terms energy: -87.392715 where: bonds (distance) C4'-P energy: -16.138 bonds (distance) P-C4' energy: -19.066 flat angles C4'-P-C4' energy: -17.086 flat angles P-C4'-P energy: -16.311 tors. eta vs tors. theta energy: -18.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -168.157924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.157924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.157924 (E_RNA) where: Base-Base interactions energy: -84.135 where: short stacking energy: -84.135 Base-Backbone interact. energy: -0.095 local terms energy: -83.928782 where: bonds (distance) C4'-P energy: -19.350 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -14.992 flat angles P-C4'-P energy: -14.741 tors. eta vs tors. theta energy: -18.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -135.724306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.724306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.724306 (E_RNA) where: Base-Base interactions energy: -65.671 where: short stacking energy: -65.671 Base-Backbone interact. energy: -0.094 local terms energy: -69.958640 where: bonds (distance) C4'-P energy: -16.984 bonds (distance) P-C4' energy: -20.750 flat angles C4'-P-C4' energy: -17.116 flat angles P-C4'-P energy: -8.538 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: 7, replica: 4 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -135.949516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.949516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.949516 (E_RNA) where: Base-Base interactions energy: -69.663 where: short stacking energy: -65.795 Base-Backbone interact. energy: 1.201 local terms energy: -67.487019 where: bonds (distance) C4'-P energy: -14.995 bonds (distance) P-C4' energy: -18.974 flat angles C4'-P-C4' energy: -17.930 flat angles P-C4'-P energy: -5.520 tors. eta vs tors. theta energy: -10.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -124.489860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.489860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.489860 (E_RNA) where: Base-Base interactions energy: -65.119 where: short stacking energy: -65.119 Base-Backbone interact. energy: -0.238 local terms energy: -59.132728 where: bonds (distance) C4'-P energy: -12.250 bonds (distance) P-C4' energy: -14.260 flat angles C4'-P-C4' energy: -16.826 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: -9.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -121.026552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.026552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.026552 (E_RNA) where: Base-Base interactions energy: -54.971 where: short stacking energy: -51.819 Base-Backbone interact. energy: -0.193 local terms energy: -65.862092 where: bonds (distance) C4'-P energy: -12.974 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -14.790 flat angles P-C4'-P energy: -14.719 tors. eta vs tors. theta energy: -6.100 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: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -103.914810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.914810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.914810 (E_RNA) where: Base-Base interactions energy: -49.557 where: short stacking energy: -47.997 Base-Backbone interact. energy: -0.329 local terms energy: -54.028963 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -13.316 flat angles C4'-P-C4' energy: -16.385 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: -4.471 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: 1, replica: 10 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -218.508501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.508501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.508501 (E_RNA) where: Base-Base interactions energy: -118.786 where: short stacking energy: -118.786 Base-Backbone interact. energy: -0.001 local terms energy: -99.721905 where: bonds (distance) C4'-P energy: -20.870 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -19.754 flat angles P-C4'-P energy: -13.379 tors. eta vs tors. theta energy: -28.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -206.632245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.632245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.632245 (E_RNA) where: Base-Base interactions energy: -108.870 where: short stacking energy: -108.288 Base-Backbone interact. energy: -0.386 local terms energy: -97.376160 where: bonds (distance) C4'-P energy: -21.268 bonds (distance) P-C4' energy: -18.962 flat angles C4'-P-C4' energy: -19.142 flat angles P-C4'-P energy: -13.353 tors. eta vs tors. theta energy: -24.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -203.495705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.495705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.495705 (E_RNA) where: Base-Base interactions energy: -118.285 where: short stacking energy: -118.285 Base-Backbone interact. energy: -0.035 local terms energy: -85.175759 where: bonds (distance) C4'-P energy: -14.206 bonds (distance) P-C4' energy: -16.559 flat angles C4'-P-C4' energy: -19.538 flat angles P-C4'-P energy: -9.397 tors. eta vs tors. theta energy: -25.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -169.705766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.705766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.705766 (E_RNA) where: Base-Base interactions energy: -90.538 where: short stacking energy: -89.757 Base-Backbone interact. energy: -0.298 local terms energy: -78.870235 where: bonds (distance) C4'-P energy: -15.641 bonds (distance) P-C4' energy: -18.557 flat angles C4'-P-C4' energy: -18.063 flat angles P-C4'-P energy: -6.488 tors. eta vs tors. theta energy: -20.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -165.073100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.073100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.073100 (E_RNA) where: Base-Base interactions energy: -84.901 where: short stacking energy: -84.901 Base-Backbone interact. energy: -0.052 local terms energy: -80.120422 where: bonds (distance) C4'-P energy: -17.826 bonds (distance) P-C4' energy: -13.365 flat angles C4'-P-C4' energy: -18.827 flat angles P-C4'-P energy: -9.727 tors. eta vs tors. theta energy: -20.376 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: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -152.069134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.069134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.069134 (E_RNA) where: Base-Base interactions energy: -70.251 where: short stacking energy: -70.251 Base-Backbone interact. energy: -0.069 local terms energy: -81.749694 where: bonds (distance) C4'-P energy: -19.090 bonds (distance) P-C4' energy: -18.072 flat angles C4'-P-C4' energy: -16.214 flat angles P-C4'-P energy: -11.292 tors. eta vs tors. theta energy: -17.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -128.165970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.165970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.165970 (E_RNA) where: Base-Base interactions energy: -57.263 where: short stacking energy: -57.263 Base-Backbone interact. energy: -0.113 local terms energy: -70.789736 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -20.140 flat angles C4'-P-C4' energy: -18.595 flat angles P-C4'-P energy: -8.539 tors. eta vs tors. theta energy: -9.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -125.968883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.968883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.968883 (E_RNA) where: Base-Base interactions energy: -62.472 where: short stacking energy: -62.472 Base-Backbone interact. energy: -0.568 local terms energy: -62.928841 where: bonds (distance) C4'-P energy: -12.783 bonds (distance) P-C4' energy: -17.741 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -9.210 tors. eta vs tors. theta energy: -8.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -119.336568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.336568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.336568 (E_RNA) where: Base-Base interactions energy: -53.332 where: short stacking energy: -53.332 Base-Backbone interact. energy: -0.024 local terms energy: -65.980699 where: bonds (distance) C4'-P energy: -10.449 bonds (distance) P-C4' energy: -19.583 flat angles C4'-P-C4' energy: -14.456 flat angles P-C4'-P energy: -13.011 tors. eta vs tors. theta energy: -8.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -118.237374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.237374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.237374 (E_RNA) where: Base-Base interactions energy: -60.141 where: short stacking energy: -57.581 Base-Backbone interact. energy: -0.161 local terms energy: -57.935301 where: bonds (distance) C4'-P energy: -17.102 bonds (distance) P-C4' energy: -14.107 flat angles C4'-P-C4' energy: -12.171 flat angles P-C4'-P energy: -7.057 tors. eta vs tors. theta energy: -7.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -216.830399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.830399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.830399 (E_RNA) where: Base-Base interactions energy: -118.911 where: short stacking energy: -118.911 Base-Backbone interact. energy: -0.001 local terms energy: -97.918908 where: bonds (distance) C4'-P energy: -17.422 bonds (distance) P-C4' energy: -20.029 flat angles C4'-P-C4' energy: -20.277 flat angles P-C4'-P energy: -14.156 tors. eta vs tors. theta energy: -26.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -208.030856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.030856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.030856 (E_RNA) where: Base-Base interactions energy: -113.016 where: short stacking energy: -113.016 Base-Backbone interact. energy: -0.022 local terms energy: -94.993053 where: bonds (distance) C4'-P energy: -19.287 bonds (distance) P-C4' energy: -19.566 flat angles C4'-P-C4' energy: -17.635 flat angles P-C4'-P energy: -14.018 tors. eta vs tors. theta energy: -24.486 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: 1 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -197.105188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.105188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.105188 (E_RNA) where: Base-Base interactions energy: -112.591 where: short stacking energy: -112.591 Base-Backbone interact. energy: -0.120 local terms energy: -84.394295 where: bonds (distance) C4'-P energy: -16.400 bonds (distance) P-C4' energy: -15.517 flat angles C4'-P-C4' energy: -19.668 flat angles P-C4'-P energy: -10.887 tors. eta vs tors. theta energy: -21.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -174.492687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.492687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.492687 (E_RNA) where: Base-Base interactions energy: -90.965 where: short stacking energy: -90.102 Base-Backbone interact. energy: -0.111 local terms energy: -83.416799 where: bonds (distance) C4'-P energy: -11.653 bonds (distance) P-C4' energy: -20.408 flat angles C4'-P-C4' energy: -20.535 flat angles P-C4'-P energy: -12.242 tors. eta vs tors. theta energy: -18.579 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: 2 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -180.169219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.169219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.169219 (E_RNA) where: Base-Base interactions energy: -87.840 where: short stacking energy: -87.840 Base-Backbone interact. energy: -0.001 local terms energy: -92.328621 where: bonds (distance) C4'-P energy: -18.030 bonds (distance) P-C4' energy: -20.091 flat angles C4'-P-C4' energy: -20.295 flat angles P-C4'-P energy: -9.678 tors. eta vs tors. theta energy: -24.234 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: 3 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -156.711931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.711931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.711931 (E_RNA) where: Base-Base interactions energy: -74.411 where: short stacking energy: -74.411 Base-Backbone interact. energy: -0.065 local terms energy: -82.235943 where: bonds (distance) C4'-P energy: -15.863 bonds (distance) P-C4' energy: -21.107 flat angles C4'-P-C4' energy: -20.802 flat angles P-C4'-P energy: -9.783 tors. eta vs tors. theta energy: -14.680 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: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -139.779089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.779089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.779089 (E_RNA) where: Base-Base interactions energy: -68.617 where: short stacking energy: -66.844 Base-Backbone interact. energy: -0.149 local terms energy: -71.013353 where: bonds (distance) C4'-P energy: -16.624 bonds (distance) P-C4' energy: -18.669 flat angles C4'-P-C4' energy: -20.543 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: -9.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -133.376441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.376441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.376441 (E_RNA) where: Base-Base interactions energy: -67.728 where: short stacking energy: -67.728 Base-Backbone interact. energy: -0.015 local terms energy: -65.633842 where: bonds (distance) C4'-P energy: -10.962 bonds (distance) P-C4' energy: -18.210 flat angles C4'-P-C4' energy: -16.975 flat angles P-C4'-P energy: -6.407 tors. eta vs tors. theta energy: -13.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -117.327688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.327688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.327688 (E_RNA) where: Base-Base interactions energy: -45.649 where: short stacking energy: -45.649 Base-Backbone interact. energy: -0.066 local terms energy: -71.612460 where: bonds (distance) C4'-P energy: -19.439 bonds (distance) P-C4' energy: -19.974 flat angles C4'-P-C4' energy: -16.007 flat angles P-C4'-P energy: -15.350 tors. eta vs tors. theta energy: -0.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -109.477880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.477880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.477880 (E_RNA) where: Base-Base interactions energy: -56.461 where: short stacking energy: -52.507 Base-Backbone interact. energy: -0.316 local terms energy: -52.700094 where: bonds (distance) C4'-P energy: -13.951 bonds (distance) P-C4' energy: -16.784 flat angles C4'-P-C4' energy: -13.560 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -4.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -230.789351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.789351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.789351 (E_RNA) where: Base-Base interactions energy: -125.119 where: short stacking energy: -125.119 Base-Backbone interact. energy: -0.000 local terms energy: -105.670735 where: bonds (distance) C4'-P energy: -20.256 bonds (distance) P-C4' energy: -19.164 flat angles C4'-P-C4' energy: -22.713 flat angles P-C4'-P energy: -11.365 tors. eta vs tors. theta energy: -32.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -214.980068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.980068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.980068 (E_RNA) where: Base-Base interactions energy: -116.254 where: short stacking energy: -116.254 Base-Backbone interact. energy: -0.000 local terms energy: -98.725445 where: bonds (distance) C4'-P energy: -18.420 bonds (distance) P-C4' energy: -17.166 flat angles C4'-P-C4' energy: -23.073 flat angles P-C4'-P energy: -14.091 tors. eta vs tors. theta energy: -25.976 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: 1 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -187.207329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.207329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.207329 (E_RNA) where: Base-Base interactions energy: -98.278 where: short stacking energy: -98.278 Base-Backbone interact. energy: -0.003 local terms energy: -88.926236 where: bonds (distance) C4'-P energy: -18.481 bonds (distance) P-C4' energy: -17.449 flat angles C4'-P-C4' energy: -18.099 flat angles P-C4'-P energy: -14.341 tors. eta vs tors. theta energy: -20.557 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: 124 Temperature: 1.050000 Total energy: -176.801767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.801767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.801767 (E_RNA) where: Base-Base interactions energy: -92.491 where: short stacking energy: -92.591 Base-Backbone interact. energy: -0.059 local terms energy: -84.251851 where: bonds (distance) C4'-P energy: -16.555 bonds (distance) P-C4' energy: -17.967 flat angles C4'-P-C4' energy: -15.134 flat angles P-C4'-P energy: -17.469 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: 5, replica: 2 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -196.352210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.352210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.352210 (E_RNA) where: Base-Base interactions energy: -107.078 where: short stacking energy: -107.078 Base-Backbone interact. energy: -0.000 local terms energy: -89.274500 where: bonds (distance) C4'-P energy: -14.767 bonds (distance) P-C4' energy: -16.697 flat angles C4'-P-C4' energy: -20.866 flat angles P-C4'-P energy: -10.294 tors. eta vs tors. theta energy: -26.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -156.945272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.945272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.945272 (E_RNA) where: Base-Base interactions energy: -76.627 where: short stacking energy: -76.627 Base-Backbone interact. energy: 0.164 local terms energy: -80.482139 where: bonds (distance) C4'-P energy: -19.215 bonds (distance) P-C4' energy: -17.299 flat angles C4'-P-C4' energy: -17.047 flat angles P-C4'-P energy: -11.256 tors. eta vs tors. theta energy: -15.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -146.105600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.105600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.105600 (E_RNA) where: Base-Base interactions energy: -63.241 where: short stacking energy: -63.241 Base-Backbone interact. energy: -0.108 local terms energy: -82.756474 where: bonds (distance) C4'-P energy: -16.588 bonds (distance) P-C4' energy: -20.781 flat angles C4'-P-C4' energy: -21.377 flat angles P-C4'-P energy: -10.096 tors. eta vs tors. theta energy: -13.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -127.117493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.117493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.117493 (E_RNA) where: Base-Base interactions energy: -64.777 where: short stacking energy: -63.431 Base-Backbone interact. energy: -0.276 local terms energy: -62.064447 where: bonds (distance) C4'-P energy: -11.004 bonds (distance) P-C4' energy: -16.211 flat angles C4'-P-C4' energy: -13.072 flat angles P-C4'-P energy: -9.592 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: 9, replica: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -120.151103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.151103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.151103 (E_RNA) where: Base-Base interactions energy: -56.166 where: short stacking energy: -56.266 Base-Backbone interact. energy: -0.209 local terms energy: -63.776172 where: bonds (distance) C4'-P energy: -12.437 bonds (distance) P-C4' energy: -19.513 flat angles C4'-P-C4' energy: -18.904 flat angles P-C4'-P energy: -6.982 tors. eta vs tors. theta energy: -5.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -119.011008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.011008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.011008 (E_RNA) where: Base-Base interactions energy: -57.299 where: short stacking energy: -57.430 Base-Backbone interact. energy: -0.136 local terms energy: -61.575178 where: bonds (distance) C4'-P energy: -16.257 bonds (distance) P-C4' energy: -16.508 flat angles C4'-P-C4' energy: -15.920 flat angles P-C4'-P energy: -6.848 tors. eta vs tors. theta energy: -6.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -231.659035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.659035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.659035 (E_RNA) where: Base-Base interactions energy: -131.667 where: short stacking energy: -131.667 Base-Backbone interact. energy: -0.000 local terms energy: -99.992126 where: bonds (distance) C4'-P energy: -13.040 bonds (distance) P-C4' energy: -21.310 flat angles C4'-P-C4' energy: -19.914 flat angles P-C4'-P energy: -15.566 tors. eta vs tors. theta energy: -30.162 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: 2, replica: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -205.650987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.650987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.650987 (E_RNA) where: Base-Base interactions energy: -107.810 where: short stacking energy: -107.810 Base-Backbone interact. energy: -0.000 local terms energy: -97.840070 where: bonds (distance) C4'-P energy: -15.814 bonds (distance) P-C4' energy: -23.386 flat angles C4'-P-C4' energy: -21.676 flat angles P-C4'-P energy: -11.437 tors. eta vs tors. theta energy: -25.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -208.507482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.507482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.507482 (E_RNA) where: Base-Base interactions energy: -117.368 where: short stacking energy: -117.368 Base-Backbone interact. energy: -0.004 local terms energy: -91.135942 where: bonds (distance) C4'-P energy: -15.674 bonds (distance) P-C4' energy: -18.486 flat angles C4'-P-C4' energy: -20.502 flat angles P-C4'-P energy: -9.260 tors. eta vs tors. theta energy: -27.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -190.058193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.058193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.058193 (E_RNA) where: Base-Base interactions energy: -104.660 where: short stacking energy: -104.660 Base-Backbone interact. energy: -0.015 local terms energy: -85.383318 where: bonds (distance) C4'-P energy: -9.487 bonds (distance) P-C4' energy: -19.113 flat angles C4'-P-C4' energy: -17.330 flat angles P-C4'-P energy: -13.963 tors. eta vs tors. theta energy: -25.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -165.057073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.057073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.057073 (E_RNA) where: Base-Base interactions energy: -90.760 where: short stacking energy: -90.760 Base-Backbone interact. energy: -0.090 local terms energy: -74.207114 where: bonds (distance) C4'-P energy: -16.538 bonds (distance) P-C4' energy: -10.167 flat angles C4'-P-C4' energy: -17.752 flat angles P-C4'-P energy: -13.498 tors. eta vs tors. theta energy: -16.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -143.006198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.006198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.006198 (E_RNA) where: Base-Base interactions energy: -67.944 where: short stacking energy: -67.944 Base-Backbone interact. energy: -0.105 local terms energy: -74.957273 where: bonds (distance) C4'-P energy: -18.754 bonds (distance) P-C4' energy: -15.927 flat angles C4'-P-C4' energy: -20.041 flat angles P-C4'-P energy: -8.712 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: 7, replica: 3 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -154.673673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.673673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.673673 (E_RNA) where: Base-Base interactions energy: -75.533 where: short stacking energy: -75.533 Base-Backbone interact. energy: -0.284 local terms energy: -78.857460 where: bonds (distance) C4'-P energy: -15.557 bonds (distance) P-C4' energy: -17.267 flat angles C4'-P-C4' energy: -14.594 flat angles P-C4'-P energy: -15.715 tors. eta vs tors. theta energy: -15.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -110.451002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.451002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.451002 (E_RNA) where: Base-Base interactions energy: -50.595 where: short stacking energy: -50.595 Base-Backbone interact. energy: -0.867 local terms energy: -58.988469 where: bonds (distance) C4'-P energy: -12.987 bonds (distance) P-C4' energy: -16.656 flat angles C4'-P-C4' energy: -10.020 flat angles P-C4'-P energy: -15.236 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: 9, replica: 4 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -109.013943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.013943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.013943 (E_RNA) where: Base-Base interactions energy: -50.592 where: short stacking energy: -50.592 Base-Backbone interact. energy: -0.561 local terms energy: -57.861509 where: bonds (distance) C4'-P energy: -11.313 bonds (distance) P-C4' energy: -14.005 flat angles C4'-P-C4' energy: -18.028 flat angles P-C4'-P energy: -9.471 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: 10, replica: 9 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -116.518935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.518935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.518935 (E_RNA) where: Base-Base interactions energy: -49.749 where: short stacking energy: -49.749 Base-Backbone interact. energy: -0.050 local terms energy: -66.720050 where: bonds (distance) C4'-P energy: -14.672 bonds (distance) P-C4' energy: -15.359 flat angles C4'-P-C4' energy: -17.196 flat angles P-C4'-P energy: -13.623 tors. eta vs tors. theta energy: -5.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -231.650107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.650107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.650107 (E_RNA) where: Base-Base interactions energy: -126.963 where: short stacking energy: -126.963 Base-Backbone interact. energy: -0.000 local terms energy: -104.686599 where: bonds (distance) C4'-P energy: -19.383 bonds (distance) P-C4' energy: -20.897 flat angles C4'-P-C4' energy: -21.017 flat angles P-C4'-P energy: -11.657 tors. eta vs tors. theta energy: -31.732 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: 1 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -204.144860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.144860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.144860 (E_RNA) where: Base-Base interactions energy: -111.192 where: short stacking energy: -111.192 Base-Backbone interact. energy: 0.617 local terms energy: -93.569481 where: bonds (distance) C4'-P energy: -20.274 bonds (distance) P-C4' energy: -17.501 flat angles C4'-P-C4' energy: -16.076 flat angles P-C4'-P energy: -15.055 tors. eta vs tors. theta energy: -24.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -200.027319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.027319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.027319 (E_RNA) where: Base-Base interactions energy: -105.885 where: short stacking energy: -105.885 Base-Backbone interact. energy: -0.001 local terms energy: -94.140851 where: bonds (distance) C4'-P energy: -17.893 bonds (distance) P-C4' energy: -19.545 flat angles C4'-P-C4' energy: -21.509 flat angles P-C4'-P energy: -10.839 tors. eta vs tors. theta energy: -24.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -190.350175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.350175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.350175 (E_RNA) where: Base-Base interactions energy: -102.907 where: short stacking energy: -102.907 Base-Backbone interact. energy: -0.013 local terms energy: -87.429971 where: bonds (distance) C4'-P energy: -16.920 bonds (distance) P-C4' energy: -17.703 flat angles C4'-P-C4' energy: -17.793 flat angles P-C4'-P energy: -12.345 tors. eta vs tors. theta energy: -22.669 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: 8 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -180.371991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.371991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.371991 (E_RNA) where: Base-Base interactions energy: -97.103 where: short stacking energy: -97.103 Base-Backbone interact. energy: -0.000 local terms energy: -83.269030 where: bonds (distance) C4'-P energy: -16.439 bonds (distance) P-C4' energy: -14.776 flat angles C4'-P-C4' energy: -19.297 flat angles P-C4'-P energy: -10.020 tors. eta vs tors. theta energy: -22.737 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: 6 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -152.677749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.677749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.677749 (E_RNA) where: Base-Base interactions energy: -78.453 where: short stacking energy: -78.163 Base-Backbone interact. energy: 0.570 local terms energy: -74.794734 where: bonds (distance) C4'-P energy: -19.892 bonds (distance) P-C4' energy: -16.021 flat angles C4'-P-C4' energy: -14.957 flat angles P-C4'-P energy: -11.003 tors. eta vs tors. theta energy: -12.921 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: 3 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -136.640029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.640029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.640029 (E_RNA) where: Base-Base interactions energy: -62.574 where: short stacking energy: -62.574 Base-Backbone interact. energy: -0.215 local terms energy: -73.850692 where: bonds (distance) C4'-P energy: -15.689 bonds (distance) P-C4' energy: -19.671 flat angles C4'-P-C4' energy: -11.721 flat angles P-C4'-P energy: -12.468 tors. eta vs tors. theta energy: -14.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -117.591384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.591384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.591384 (E_RNA) where: Base-Base interactions energy: -54.578 where: short stacking energy: -54.578 Base-Backbone interact. energy: -0.218 local terms energy: -62.795833 where: bonds (distance) C4'-P energy: -14.981 bonds (distance) P-C4' energy: -15.991 flat angles C4'-P-C4' energy: -16.466 flat angles P-C4'-P energy: -10.429 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: 9, replica: 9 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -127.933052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.933052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.933052 (E_RNA) where: Base-Base interactions energy: -66.556 where: short stacking energy: -66.856 Base-Backbone interact. energy: -0.844 local terms energy: -60.533191 where: bonds (distance) C4'-P energy: -15.383 bonds (distance) P-C4' energy: -13.789 flat angles C4'-P-C4' energy: -12.355 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -14.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -117.634356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.634356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.634356 (E_RNA) where: Base-Base interactions energy: -51.633 where: short stacking energy: -51.378 Base-Backbone interact. energy: 2.428 local terms energy: -68.429736 where: bonds (distance) C4'-P energy: -15.951 bonds (distance) P-C4' energy: -19.267 flat angles C4'-P-C4' energy: -17.903 flat angles P-C4'-P energy: -10.195 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: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -217.043124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.043124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.043124 (E_RNA) where: Base-Base interactions energy: -115.704 where: short stacking energy: -115.704 Base-Backbone interact. energy: -0.082 local terms energy: -101.257679 where: bonds (distance) C4'-P energy: -16.185 bonds (distance) P-C4' energy: -21.948 flat angles C4'-P-C4' energy: -21.529 flat angles P-C4'-P energy: -13.381 tors. eta vs tors. theta energy: -28.216 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: 2, replica: 10 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -211.880090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.880090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.880090 (E_RNA) where: Base-Base interactions energy: -113.334 where: short stacking energy: -113.334 Base-Backbone interact. energy: -0.030 local terms energy: -98.515535 where: bonds (distance) C4'-P energy: -17.843 bonds (distance) P-C4' energy: -21.024 flat angles C4'-P-C4' energy: -19.997 flat angles P-C4'-P energy: -11.791 tors. eta vs tors. theta energy: -27.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -206.214029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.214029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.214029 (E_RNA) where: Base-Base interactions energy: -114.199 where: short stacking energy: -114.199 Base-Backbone interact. energy: -0.006 local terms energy: -92.009039 where: bonds (distance) C4'-P energy: -17.296 bonds (distance) P-C4' energy: -18.851 flat angles C4'-P-C4' energy: -18.345 flat angles P-C4'-P energy: -11.972 tors. eta vs tors. theta energy: -25.545 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: 8 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -192.049213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.049213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.049213 (E_RNA) where: Base-Base interactions energy: -102.105 where: short stacking energy: -102.105 Base-Backbone interact. energy: -0.011 local terms energy: -89.933229 where: bonds (distance) C4'-P energy: -17.117 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -19.425 flat angles P-C4'-P energy: -11.333 tors. eta vs tors. theta energy: -25.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -162.747853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.747853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.747853 (E_RNA) where: Base-Base interactions energy: -86.932 where: short stacking energy: -84.754 Base-Backbone interact. energy: -0.135 local terms energy: -75.681593 where: bonds (distance) C4'-P energy: -17.681 bonds (distance) P-C4' energy: -18.037 flat angles C4'-P-C4' energy: -16.003 flat angles P-C4'-P energy: -11.205 tors. eta vs tors. theta energy: -12.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -151.143841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.143841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.143841 (E_RNA) where: Base-Base interactions energy: -75.910 where: short stacking energy: -75.910 Base-Backbone interact. energy: -0.289 local terms energy: -74.944631 where: bonds (distance) C4'-P energy: -15.438 bonds (distance) P-C4' energy: -19.418 flat angles C4'-P-C4' energy: -15.565 flat angles P-C4'-P energy: -11.473 tors. eta vs tors. theta energy: -13.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -136.507602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.507602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.507602 (E_RNA) where: Base-Base interactions energy: -68.046 where: short stacking energy: -68.046 Base-Backbone interact. energy: -0.359 local terms energy: -68.102123 where: bonds (distance) C4'-P energy: -16.614 bonds (distance) P-C4' energy: -16.190 flat angles C4'-P-C4' energy: -18.229 flat angles P-C4'-P energy: -8.500 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: 8, replica: 9 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -127.528904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.528904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.528904 (E_RNA) where: Base-Base interactions energy: -61.566 where: short stacking energy: -61.179 Base-Backbone interact. energy: 0.742 local terms energy: -66.704740 where: bonds (distance) C4'-P energy: -17.701 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -15.449 flat angles P-C4'-P energy: -10.020 tors. eta vs tors. theta energy: -8.068 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: 9, replica: 7 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -101.376380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.376380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.376380 (E_RNA) where: Base-Base interactions energy: -51.624 where: short stacking energy: -51.455 Base-Backbone interact. energy: 0.319 local terms energy: -50.072145 where: bonds (distance) C4'-P energy: -9.834 bonds (distance) P-C4' energy: -19.954 flat angles C4'-P-C4' energy: -11.661 flat angles P-C4'-P energy: -10.625 tors. eta vs tors. theta energy: 2.002 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: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -120.423019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.423019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.423019 (E_RNA) where: Base-Base interactions energy: -47.986 where: short stacking energy: -47.986 Base-Backbone interact. energy: -0.320 local terms energy: -72.117228 where: bonds (distance) C4'-P energy: -17.416 bonds (distance) P-C4' energy: -16.781 flat angles C4'-P-C4' energy: -20.853 flat angles P-C4'-P energy: -12.407 tors. eta vs tors. theta energy: -4.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -218.911575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.911575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.911575 (E_RNA) where: Base-Base interactions energy: -120.244 where: short stacking energy: -120.244 Base-Backbone interact. energy: -0.002 local terms energy: -98.665391 where: bonds (distance) C4'-P energy: -16.402 bonds (distance) P-C4' energy: -19.274 flat angles C4'-P-C4' energy: -20.044 flat angles P-C4'-P energy: -16.002 tors. eta vs tors. theta energy: -26.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -197.216407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.216407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.216407 (E_RNA) where: Base-Base interactions energy: -106.922 where: short stacking energy: -106.922 Base-Backbone interact. energy: -0.038 local terms energy: -90.255853 where: bonds (distance) C4'-P energy: -18.335 bonds (distance) P-C4' energy: -16.215 flat angles C4'-P-C4' energy: -20.089 flat angles P-C4'-P energy: -13.511 tors. eta vs tors. theta energy: -22.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -197.339265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.339265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.339265 (E_RNA) where: Base-Base interactions energy: -108.742 where: short stacking energy: -108.742 Base-Backbone interact. energy: -0.002 local terms energy: -88.594768 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -17.026 flat angles C4'-P-C4' energy: -19.092 flat angles P-C4'-P energy: -12.541 tors. eta vs tors. theta energy: -25.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -180.448171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.448171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.448171 (E_RNA) where: Base-Base interactions energy: -98.600 where: short stacking energy: -98.600 Base-Backbone interact. energy: -0.059 local terms energy: -81.789119 where: bonds (distance) C4'-P energy: -18.840 bonds (distance) P-C4' energy: -16.455 flat angles C4'-P-C4' energy: -17.653 flat angles P-C4'-P energy: -5.640 tors. eta vs tors. theta energy: -23.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -159.030981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.030981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.030981 (E_RNA) where: Base-Base interactions energy: -84.899 where: short stacking energy: -84.899 Base-Backbone interact. energy: -0.100 local terms energy: -74.031437 where: bonds (distance) C4'-P energy: -17.827 bonds (distance) P-C4' energy: -17.281 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -11.709 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: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -139.356491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.356491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.356491 (E_RNA) where: Base-Base interactions energy: -69.243 where: short stacking energy: -69.243 Base-Backbone interact. energy: -0.431 local terms energy: -69.682984 where: bonds (distance) C4'-P energy: -21.142 bonds (distance) P-C4' energy: -19.443 flat angles C4'-P-C4' energy: -13.186 flat angles P-C4'-P energy: -7.682 tors. eta vs tors. theta energy: -8.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -126.573655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.573655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.573655 (E_RNA) where: Base-Base interactions energy: -61.289 where: short stacking energy: -61.289 Base-Backbone interact. energy: -0.398 local terms energy: -64.886374 where: bonds (distance) C4'-P energy: -17.372 bonds (distance) P-C4' energy: -14.488 flat angles C4'-P-C4' energy: -15.430 flat angles P-C4'-P energy: -10.703 tors. eta vs tors. theta energy: -6.894 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: 3 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -133.477848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.477848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.477848 (E_RNA) where: Base-Base interactions energy: -65.481 where: short stacking energy: -65.481 Base-Backbone interact. energy: -0.092 local terms energy: -67.904270 where: bonds (distance) C4'-P energy: -16.424 bonds (distance) P-C4' energy: -15.869 flat angles C4'-P-C4' energy: -15.078 flat angles P-C4'-P energy: -9.595 tors. eta vs tors. theta energy: -10.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -121.716231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.716231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.716231 (E_RNA) where: Base-Base interactions energy: -60.781 where: short stacking energy: -60.881 Base-Backbone interact. energy: 1.184 local terms energy: -62.119195 where: bonds (distance) C4'-P energy: -10.013 bonds (distance) P-C4' energy: -15.345 flat angles C4'-P-C4' energy: -18.710 flat angles P-C4'-P energy: -9.130 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: 10, replica: 7 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -97.785870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.785870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.785870 (E_RNA) where: Base-Base interactions energy: -44.440 where: short stacking energy: -40.284 Base-Backbone interact. energy: 0.451 local terms energy: -53.796505 where: bonds (distance) C4'-P energy: -14.594 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -15.889 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: -0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -221.069356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.069356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.069356 (E_RNA) where: Base-Base interactions energy: -124.403 where: short stacking energy: -124.403 Base-Backbone interact. energy: -0.000 local terms energy: -96.665908 where: bonds (distance) C4'-P energy: -16.774 bonds (distance) P-C4' energy: -20.415 flat angles C4'-P-C4' energy: -19.611 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: -29.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -197.961491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.961491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.961491 (E_RNA) where: Base-Base interactions energy: -105.667 where: short stacking energy: -105.667 Base-Backbone interact. energy: -0.000 local terms energy: -92.294029 where: bonds (distance) C4'-P energy: -14.643 bonds (distance) P-C4' energy: -19.701 flat angles C4'-P-C4' energy: -19.922 flat angles P-C4'-P energy: -13.396 tors. eta vs tors. theta energy: -24.633 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: 3, replica: 1 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -200.514203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.514203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.514203 (E_RNA) where: Base-Base interactions energy: -110.991 where: short stacking energy: -110.991 Base-Backbone interact. energy: -0.081 local terms energy: -89.442762 where: bonds (distance) C4'-P energy: -17.537 bonds (distance) P-C4' energy: -19.604 flat angles C4'-P-C4' energy: -19.626 flat angles P-C4'-P energy: -10.475 tors. eta vs tors. theta energy: -22.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -198.564412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.564412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.564412 (E_RNA) where: Base-Base interactions energy: -111.691 where: short stacking energy: -111.691 Base-Backbone interact. energy: -0.067 local terms energy: -86.806240 where: bonds (distance) C4'-P energy: -17.471 bonds (distance) P-C4' energy: -15.662 flat angles C4'-P-C4' energy: -15.894 flat angles P-C4'-P energy: -13.803 tors. eta vs tors. theta energy: -23.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -152.692257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.692257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.692257 (E_RNA) where: Base-Base interactions energy: -76.532 where: short stacking energy: -76.532 Base-Backbone interact. energy: -0.205 local terms energy: -75.955973 where: bonds (distance) C4'-P energy: -13.323 bonds (distance) P-C4' energy: -20.204 flat angles C4'-P-C4' energy: -16.784 flat angles P-C4'-P energy: -9.230 tors. eta vs tors. theta energy: -16.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -140.754135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.754135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.754135 (E_RNA) where: Base-Base interactions energy: -72.317 where: short stacking energy: -72.317 Base-Backbone interact. energy: -0.101 local terms energy: -68.336122 where: bonds (distance) C4'-P energy: -16.560 bonds (distance) P-C4' energy: -13.360 flat angles C4'-P-C4' energy: -16.633 flat angles P-C4'-P energy: -11.747 tors. eta vs tors. theta energy: -10.036 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: 9 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -171.026855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.026855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.026855 (E_RNA) where: Base-Base interactions energy: -92.928 where: short stacking energy: -84.616 Base-Backbone interact. energy: -0.101 local terms energy: -77.997583 where: bonds (distance) C4'-P energy: -19.064 bonds (distance) P-C4' energy: -15.493 flat angles C4'-P-C4' energy: -19.267 flat angles P-C4'-P energy: -7.301 tors. eta vs tors. theta energy: -16.874 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: 4 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -132.702942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.702942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.702942 (E_RNA) where: Base-Base interactions energy: -72.850 where: short stacking energy: -72.850 Base-Backbone interact. energy: -0.104 local terms energy: -59.748600 where: bonds (distance) C4'-P energy: -7.344 bonds (distance) P-C4' energy: -18.545 flat angles C4'-P-C4' energy: -17.591 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: -11.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -126.996489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.996489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.996489 (E_RNA) where: Base-Base interactions energy: -62.952 where: short stacking energy: -62.714 Base-Backbone interact. energy: 1.678 local terms energy: -65.722613 where: bonds (distance) C4'-P energy: -16.009 bonds (distance) P-C4' energy: -14.160 flat angles C4'-P-C4' energy: -17.303 flat angles P-C4'-P energy: -8.385 tors. eta vs tors. theta energy: -9.866 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: 7 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -121.130141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.130141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.130141 (E_RNA) where: Base-Base interactions energy: -52.504 where: short stacking energy: -50.914 Base-Backbone interact. energy: -0.195 local terms energy: -68.430372 where: bonds (distance) C4'-P energy: -15.525 bonds (distance) P-C4' energy: -18.745 flat angles C4'-P-C4' energy: -15.666 flat angles P-C4'-P energy: -9.749 tors. eta vs tors. theta energy: -8.745 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: 5 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -215.332128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.332128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.332128 (E_RNA) where: Base-Base interactions energy: -116.569 where: short stacking energy: -116.569 Base-Backbone interact. energy: -0.001 local terms energy: -98.761725 where: bonds (distance) C4'-P energy: -20.524 bonds (distance) P-C4' energy: -19.723 flat angles C4'-P-C4' energy: -18.677 flat angles P-C4'-P energy: -13.134 tors. eta vs tors. theta energy: -26.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -205.477625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.477625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.477625 (E_RNA) where: Base-Base interactions energy: -113.393 where: short stacking energy: -113.393 Base-Backbone interact. energy: -0.000 local terms energy: -92.084901 where: bonds (distance) C4'-P energy: -13.413 bonds (distance) P-C4' energy: -19.563 flat angles C4'-P-C4' energy: -16.725 flat angles P-C4'-P energy: -15.614 tors. eta vs tors. theta energy: -26.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -200.106606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.106606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.106606 (E_RNA) where: Base-Base interactions energy: -101.726 where: short stacking energy: -101.726 Base-Backbone interact. energy: -0.053 local terms energy: -98.327884 where: bonds (distance) C4'-P energy: -18.597 bonds (distance) P-C4' energy: -20.163 flat angles C4'-P-C4' energy: -19.033 flat angles P-C4'-P energy: -14.910 tors. eta vs tors. theta energy: -25.626 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: 1 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -172.322309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.322309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.322309 (E_RNA) where: Base-Base interactions energy: -88.241 where: short stacking energy: -88.241 Base-Backbone interact. energy: -0.021 local terms energy: -84.060484 where: bonds (distance) C4'-P energy: -15.865 bonds (distance) P-C4' energy: -17.472 flat angles C4'-P-C4' energy: -20.325 flat angles P-C4'-P energy: -13.847 tors. eta vs tors. theta energy: -16.551 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: 130 Temperature: 1.100000 Total energy: -147.371589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.371589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.371589 (E_RNA) where: Base-Base interactions energy: -70.525 where: short stacking energy: -70.525 Base-Backbone interact. energy: -0.225 local terms energy: -76.621963 where: bonds (distance) C4'-P energy: -19.308 bonds (distance) P-C4' energy: -16.759 flat angles C4'-P-C4' energy: -16.009 flat angles P-C4'-P energy: -12.349 tors. eta vs tors. theta energy: -12.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -158.722675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.722675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.722675 (E_RNA) where: Base-Base interactions energy: -74.855 where: short stacking energy: -74.855 Base-Backbone interact. energy: -0.051 local terms energy: -83.817066 where: bonds (distance) C4'-P energy: -16.933 bonds (distance) P-C4' energy: -21.113 flat angles C4'-P-C4' energy: -17.408 flat angles P-C4'-P energy: -12.438 tors. eta vs tors. theta energy: -15.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -127.826892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.826892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.826892 (E_RNA) where: Base-Base interactions energy: -65.956 where: short stacking energy: -65.956 Base-Backbone interact. energy: -0.096 local terms energy: -61.775493 where: bonds (distance) C4'-P energy: -10.163 bonds (distance) P-C4' energy: -16.405 flat angles C4'-P-C4' energy: -16.131 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -13.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -124.880013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.880013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.880013 (E_RNA) where: Base-Base interactions energy: -58.071 where: short stacking energy: -57.104 Base-Backbone interact. energy: -1.228 local terms energy: -65.581025 where: bonds (distance) C4'-P energy: -17.653 bonds (distance) P-C4' energy: -16.524 flat angles C4'-P-C4' energy: -15.125 flat angles P-C4'-P energy: -11.543 tors. eta vs tors. theta energy: -4.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -124.526977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.526977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.526977 (E_RNA) where: Base-Base interactions energy: -56.431 where: short stacking energy: -55.749 Base-Backbone interact. energy: -0.275 local terms energy: -67.820784 where: bonds (distance) C4'-P energy: -15.860 bonds (distance) P-C4' energy: -15.374 flat angles C4'-P-C4' energy: -18.439 flat angles P-C4'-P energy: -10.711 tors. eta vs tors. theta energy: -7.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -127.561546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.561546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.561546 (E_RNA) where: Base-Base interactions energy: -56.117 where: short stacking energy: -56.117 Base-Backbone interact. energy: -0.108 local terms energy: -71.335897 where: bonds (distance) C4'-P energy: -20.550 bonds (distance) P-C4' energy: -11.175 flat angles C4'-P-C4' energy: -13.652 flat angles P-C4'-P energy: -13.567 tors. eta vs tors. theta energy: -12.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -230.975512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.975512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.975512 (E_RNA) where: Base-Base interactions energy: -131.399 where: short stacking energy: -131.399 Base-Backbone interact. energy: -0.000 local terms energy: -99.576221 where: bonds (distance) C4'-P energy: -16.928 bonds (distance) P-C4' energy: -15.314 flat angles C4'-P-C4' energy: -20.377 flat angles P-C4'-P energy: -15.444 tors. eta vs tors. theta energy: -31.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -184.868057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.868057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.868057 (E_RNA) where: Base-Base interactions energy: -97.805 where: short stacking energy: -97.805 Base-Backbone interact. energy: -0.008 local terms energy: -87.055466 where: bonds (distance) C4'-P energy: -16.258 bonds (distance) P-C4' energy: -22.635 flat angles C4'-P-C4' energy: -15.656 flat angles P-C4'-P energy: -12.687 tors. eta vs tors. theta energy: -19.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -192.548284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.548284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.548284 (E_RNA) where: Base-Base interactions energy: -101.048 where: short stacking energy: -101.048 Base-Backbone interact. energy: -0.000 local terms energy: -91.500363 where: bonds (distance) C4'-P energy: -16.912 bonds (distance) P-C4' energy: -17.952 flat angles C4'-P-C4' energy: -21.513 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -25.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -167.838029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.838029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.838029 (E_RNA) where: Base-Base interactions energy: -84.926 where: short stacking energy: -84.926 Base-Backbone interact. energy: -0.023 local terms energy: -82.889190 where: bonds (distance) C4'-P energy: -12.547 bonds (distance) P-C4' energy: -17.445 flat angles C4'-P-C4' energy: -18.829 flat angles P-C4'-P energy: -15.921 tors. eta vs tors. theta energy: -18.147 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: 6 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -166.143392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.143392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.143392 (E_RNA) where: Base-Base interactions energy: -82.514 where: short stacking energy: -82.814 Base-Backbone interact. energy: -0.190 local terms energy: -83.440061 where: bonds (distance) C4'-P energy: -18.410 bonds (distance) P-C4' energy: -18.559 flat angles C4'-P-C4' energy: -19.710 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -18.895 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: 6, replica: 4 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -176.289851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.289851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.289851 (E_RNA) where: Base-Base interactions energy: -98.992 where: short stacking energy: -98.992 Base-Backbone interact. energy: -0.107 local terms energy: -77.191402 where: bonds (distance) C4'-P energy: -15.516 bonds (distance) P-C4' energy: -14.570 flat angles C4'-P-C4' energy: -12.026 flat angles P-C4'-P energy: -13.757 tors. eta vs tors. theta energy: -21.323 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: 2 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -145.909783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.909783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.909783 (E_RNA) where: Base-Base interactions energy: -73.862 where: short stacking energy: -73.862 Base-Backbone interact. energy: -0.372 local terms energy: -71.675786 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -20.619 flat angles P-C4'-P energy: -11.896 tors. eta vs tors. theta energy: -12.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -119.749637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.749637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.749637 (E_RNA) where: Base-Base interactions energy: -52.306 where: short stacking energy: -52.809 Base-Backbone interact. energy: -0.179 local terms energy: -67.264339 where: bonds (distance) C4'-P energy: -15.166 bonds (distance) P-C4' energy: -16.261 flat angles C4'-P-C4' energy: -18.976 flat angles P-C4'-P energy: -10.071 tors. eta vs tors. theta energy: -6.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -130.106670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.106670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.106670 (E_RNA) where: Base-Base interactions energy: -60.959 where: short stacking energy: -62.241 Base-Backbone interact. energy: -0.057 local terms energy: -69.091069 where: bonds (distance) C4'-P energy: -18.808 bonds (distance) P-C4' energy: -15.228 flat angles C4'-P-C4' energy: -17.995 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -13.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -135.660382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.660382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.660382 (E_RNA) where: Base-Base interactions energy: -76.885 where: short stacking energy: -76.885 Base-Backbone interact. energy: -0.016 local terms energy: -58.758854 where: bonds (distance) C4'-P energy: -10.919 bonds (distance) P-C4' energy: -18.136 flat angles C4'-P-C4' energy: -17.709 flat angles P-C4'-P energy: 3.419 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: 1, replica: 5 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -232.134853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.134853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.134853 (E_RNA) where: Base-Base interactions energy: -128.497 where: short stacking energy: -128.497 Base-Backbone interact. energy: -0.000 local terms energy: -103.638009 where: bonds (distance) C4'-P energy: -12.938 bonds (distance) P-C4' energy: -21.905 flat angles C4'-P-C4' energy: -20.896 flat angles P-C4'-P energy: -15.743 tors. eta vs tors. theta energy: -32.156 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: 10 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -200.574757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.574757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.574757 (E_RNA) where: Base-Base interactions energy: -106.572 where: short stacking energy: -106.572 Base-Backbone interact. energy: 0.309 local terms energy: -94.311746 where: bonds (distance) C4'-P energy: -20.160 bonds (distance) P-C4' energy: -14.698 flat angles C4'-P-C4' energy: -20.240 flat angles P-C4'-P energy: -11.982 tors. eta vs tors. theta energy: -27.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -178.760550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.760550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.760550 (E_RNA) where: Base-Base interactions energy: -97.690 where: short stacking energy: -97.690 Base-Backbone interact. energy: -0.340 local terms energy: -80.730701 where: bonds (distance) C4'-P energy: -18.670 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -15.315 tors. eta vs tors. theta energy: -17.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -170.906930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.906930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.906930 (E_RNA) where: Base-Base interactions energy: -89.490 where: short stacking energy: -89.490 Base-Backbone interact. energy: -0.512 local terms energy: -80.904491 where: bonds (distance) C4'-P energy: -19.283 bonds (distance) P-C4' energy: -12.730 flat angles C4'-P-C4' energy: -16.453 flat angles P-C4'-P energy: -9.118 tors. eta vs tors. theta energy: -23.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -154.626456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.626456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.626456 (E_RNA) where: Base-Base interactions energy: -78.718 where: short stacking energy: -78.718 Base-Backbone interact. energy: 0.190 local terms energy: -76.099036 where: bonds (distance) C4'-P energy: -16.983 bonds (distance) P-C4' energy: -15.710 flat angles C4'-P-C4' energy: -19.569 flat angles P-C4'-P energy: -12.348 tors. eta vs tors. theta energy: -11.488 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: 4 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -151.392261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.392261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.392261 (E_RNA) where: Base-Base interactions energy: -73.674 where: short stacking energy: -73.219 Base-Backbone interact. energy: -0.089 local terms energy: -77.628633 where: bonds (distance) C4'-P energy: -17.661 bonds (distance) P-C4' energy: -20.467 flat angles C4'-P-C4' energy: -16.916 flat angles P-C4'-P energy: -14.591 tors. eta vs tors. theta energy: -7.995 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: 2 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -141.068074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.068074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.068074 (E_RNA) where: Base-Base interactions energy: -64.363 where: short stacking energy: -63.367 Base-Backbone interact. energy: -0.333 local terms energy: -76.371652 where: bonds (distance) C4'-P energy: -19.313 bonds (distance) P-C4' energy: -16.553 flat angles C4'-P-C4' energy: -14.425 flat angles P-C4'-P energy: -14.775 tors. eta vs tors. theta energy: -11.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -145.741408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.741408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.741408 (E_RNA) where: Base-Base interactions energy: -71.285 where: short stacking energy: -71.285 Base-Backbone interact. energy: -0.014 local terms energy: -74.442047 where: bonds (distance) C4'-P energy: -16.684 bonds (distance) P-C4' energy: -14.963 flat angles C4'-P-C4' energy: -17.179 flat angles P-C4'-P energy: -9.968 tors. eta vs tors. theta energy: -15.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -126.798716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.798716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.798716 (E_RNA) where: Base-Base interactions energy: -59.114 where: short stacking energy: -59.114 Base-Backbone interact. energy: -0.168 local terms energy: -67.516341 where: bonds (distance) C4'-P energy: -15.393 bonds (distance) P-C4' energy: -16.685 flat angles C4'-P-C4' energy: -18.085 flat angles P-C4'-P energy: -8.173 tors. eta vs tors. theta energy: -9.180 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: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -128.910292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.910292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.910292 (E_RNA) where: Base-Base interactions energy: -58.021 where: short stacking energy: -58.021 Base-Backbone interact. energy: -0.077 local terms energy: -70.812160 where: bonds (distance) C4'-P energy: -18.753 bonds (distance) P-C4' energy: -15.672 flat angles C4'-P-C4' energy: -16.482 flat angles P-C4'-P energy: -10.610 tors. eta vs tors. theta energy: -9.295 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: 5 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -230.281862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.281862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.281862 (E_RNA) where: Base-Base interactions energy: -127.916 where: short stacking energy: -127.916 Base-Backbone interact. energy: -0.000 local terms energy: -102.366176 where: bonds (distance) C4'-P energy: -18.469 bonds (distance) P-C4' energy: -18.879 flat angles C4'-P-C4' energy: -21.881 flat angles P-C4'-P energy: -12.588 tors. eta vs tors. theta energy: -30.549 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: 10 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -207.572824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.572824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.572824 (E_RNA) where: Base-Base interactions energy: -111.231 where: short stacking energy: -111.231 Base-Backbone interact. energy: -0.000 local terms energy: -96.341815 where: bonds (distance) C4'-P energy: -16.279 bonds (distance) P-C4' energy: -19.527 flat angles C4'-P-C4' energy: -22.447 flat angles P-C4'-P energy: -10.944 tors. eta vs tors. theta energy: -27.144 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: 1 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -186.770816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.770816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.770816 (E_RNA) where: Base-Base interactions energy: -103.689 where: short stacking energy: -103.689 Base-Backbone interact. energy: -0.027 local terms energy: -83.055461 where: bonds (distance) C4'-P energy: -16.750 bonds (distance) P-C4' energy: -13.608 flat angles C4'-P-C4' energy: -17.711 flat angles P-C4'-P energy: -15.059 tors. eta vs tors. theta energy: -19.928 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: 4, replica: 8 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -198.970304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.970304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.970304 (E_RNA) where: Base-Base interactions energy: -105.919 where: short stacking energy: -105.919 Base-Backbone interact. energy: -0.023 local terms energy: -93.027770 where: bonds (distance) C4'-P energy: -16.748 bonds (distance) P-C4' energy: -17.398 flat angles C4'-P-C4' energy: -21.511 flat angles P-C4'-P energy: -13.656 tors. eta vs tors. theta energy: -23.714 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: 6 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -154.449265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.449265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.449265 (E_RNA) where: Base-Base interactions energy: -79.997 where: short stacking energy: -79.997 Base-Backbone interact. energy: -0.055 local terms energy: -74.396983 where: bonds (distance) C4'-P energy: -17.542 bonds (distance) P-C4' energy: -19.489 flat angles C4'-P-C4' energy: -10.715 flat angles P-C4'-P energy: -12.045 tors. eta vs tors. theta energy: -14.607 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: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -142.156753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.156753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.156753 (E_RNA) where: Base-Base interactions energy: -71.080 where: short stacking energy: -69.817 Base-Backbone interact. energy: -0.153 local terms energy: -70.923230 where: bonds (distance) C4'-P energy: -19.678 bonds (distance) P-C4' energy: -20.681 flat angles C4'-P-C4' energy: -12.505 flat angles P-C4'-P energy: -10.833 tors. eta vs tors. theta energy: -7.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -135.864608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.864608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.864608 (E_RNA) where: Base-Base interactions energy: -66.318 where: short stacking energy: -66.318 Base-Backbone interact. energy: -0.122 local terms energy: -69.425347 where: bonds (distance) C4'-P energy: -13.344 bonds (distance) P-C4' energy: -18.048 flat angles C4'-P-C4' energy: -13.955 flat angles P-C4'-P energy: -13.548 tors. eta vs tors. theta energy: -10.531 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: 8, replica: 3 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -140.445888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.445888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.445888 (E_RNA) where: Base-Base interactions energy: -74.342 where: short stacking energy: -74.911 Base-Backbone interact. energy: -0.194 local terms energy: -65.909868 where: bonds (distance) C4'-P energy: -14.811 bonds (distance) P-C4' energy: -16.101 flat angles C4'-P-C4' energy: -15.907 flat angles P-C4'-P energy: -6.809 tors. eta vs tors. theta energy: -12.282 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: 7 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -110.251158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.251158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.251158 (E_RNA) where: Base-Base interactions energy: -60.794 where: short stacking energy: -55.594 Base-Backbone interact. energy: -0.335 local terms energy: -49.121535 where: bonds (distance) C4'-P energy: -8.378 bonds (distance) P-C4' energy: -16.641 flat angles C4'-P-C4' energy: -11.996 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -6.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -125.835622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.835622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.835622 (E_RNA) where: Base-Base interactions energy: -56.868 where: short stacking energy: -56.868 Base-Backbone interact. energy: -0.048 local terms energy: -68.919431 where: bonds (distance) C4'-P energy: -16.402 bonds (distance) P-C4' energy: -16.953 flat angles C4'-P-C4' energy: -12.858 flat angles P-C4'-P energy: -11.613 tors. eta vs tors. theta energy: -11.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -230.884264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.884264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.884264 (E_RNA) where: Base-Base interactions energy: -128.343 where: short stacking energy: -128.343 Base-Backbone interact. energy: -0.000 local terms energy: -102.541560 where: bonds (distance) C4'-P energy: -18.691 bonds (distance) P-C4' energy: -19.007 flat angles C4'-P-C4' energy: -22.383 flat angles P-C4'-P energy: -10.322 tors. eta vs tors. theta energy: -32.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -202.383232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.383232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.383232 (E_RNA) where: Base-Base interactions energy: -110.800 where: short stacking energy: -110.800 Base-Backbone interact. energy: -0.000 local terms energy: -91.583288 where: bonds (distance) C4'-P energy: -16.412 bonds (distance) P-C4' energy: -19.773 flat angles C4'-P-C4' energy: -19.316 flat angles P-C4'-P energy: -12.117 tors. eta vs tors. theta energy: -23.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -185.359339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.359339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.359339 (E_RNA) where: Base-Base interactions energy: -94.521 where: short stacking energy: -94.521 Base-Backbone interact. energy: -0.001 local terms energy: -90.837313 where: bonds (distance) C4'-P energy: -17.545 bonds (distance) P-C4' energy: -18.806 flat angles C4'-P-C4' energy: -19.932 flat angles P-C4'-P energy: -16.181 tors. eta vs tors. theta energy: -18.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -177.607522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.607522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.607522 (E_RNA) where: Base-Base interactions energy: -95.171 where: short stacking energy: -95.171 Base-Backbone interact. energy: -0.006 local terms energy: -82.430103 where: bonds (distance) C4'-P energy: -13.553 bonds (distance) P-C4' energy: -21.958 flat angles C4'-P-C4' energy: -16.628 flat angles P-C4'-P energy: -11.625 tors. eta vs tors. theta energy: -18.666 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: 6 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -170.351861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.351861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.351861 (E_RNA) where: Base-Base interactions energy: -82.566 where: short stacking energy: -82.566 Base-Backbone interact. energy: -0.007 local terms energy: -87.778645 where: bonds (distance) C4'-P energy: -17.413 bonds (distance) P-C4' energy: -20.395 flat angles C4'-P-C4' energy: -20.453 flat angles P-C4'-P energy: -10.878 tors. eta vs tors. theta energy: -18.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -167.264157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.264157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.264157 (E_RNA) where: Base-Base interactions energy: -92.691 where: short stacking energy: -91.554 Base-Backbone interact. energy: -0.024 local terms energy: -74.548699 where: bonds (distance) C4'-P energy: -14.688 bonds (distance) P-C4' energy: -18.351 flat angles C4'-P-C4' energy: -18.545 flat angles P-C4'-P energy: -9.022 tors. eta vs tors. theta energy: -13.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -150.876053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.876053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.876053 (E_RNA) where: Base-Base interactions energy: -76.614 where: short stacking energy: -74.981 Base-Backbone interact. energy: -0.330 local terms energy: -73.932553 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -18.138 flat angles C4'-P-C4' energy: -16.274 flat angles P-C4'-P energy: -13.920 tors. eta vs tors. theta energy: -12.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -130.296358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.296358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.296358 (E_RNA) where: Base-Base interactions energy: -62.619 where: short stacking energy: -62.619 Base-Backbone interact. energy: 0.801 local terms energy: -68.478342 where: bonds (distance) C4'-P energy: -15.761 bonds (distance) P-C4' energy: -18.928 flat angles C4'-P-C4' energy: -18.249 flat angles P-C4'-P energy: -11.697 tors. eta vs tors. theta energy: -3.843 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: 134 Temperature: 1.300000 Total energy: -129.028069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.028069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.028069 (E_RNA) where: Base-Base interactions energy: -62.652 where: short stacking energy: -62.652 Base-Backbone interact. energy: 0.544 local terms energy: -66.919489 where: bonds (distance) C4'-P energy: -18.226 bonds (distance) P-C4' energy: -16.150 flat angles C4'-P-C4' energy: -11.105 flat angles P-C4'-P energy: -9.058 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: 10, replica: 7 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -113.266035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.266035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.266035 (E_RNA) where: Base-Base interactions energy: -47.199 where: short stacking energy: -45.776 Base-Backbone interact. energy: 0.762 local terms energy: -66.828633 where: bonds (distance) C4'-P energy: -14.445 bonds (distance) P-C4' energy: -19.688 flat angles C4'-P-C4' energy: -12.832 flat angles P-C4'-P energy: -10.175 tors. eta vs tors. theta energy: -9.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -232.687804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.687804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.687804 (E_RNA) where: Base-Base interactions energy: -123.988 where: short stacking energy: -123.988 Base-Backbone interact. energy: -0.000 local terms energy: -108.699963 where: bonds (distance) C4'-P energy: -18.513 bonds (distance) P-C4' energy: -20.237 flat angles C4'-P-C4' energy: -20.578 flat angles P-C4'-P energy: -17.235 tors. eta vs tors. theta energy: -32.137 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: 10 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -199.174717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.174717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.174717 (E_RNA) where: Base-Base interactions energy: -110.705 where: short stacking energy: -110.705 Base-Backbone interact. energy: -0.003 local terms energy: -88.467096 where: bonds (distance) C4'-P energy: -18.084 bonds (distance) P-C4' energy: -19.572 flat angles C4'-P-C4' energy: -18.902 flat angles P-C4'-P energy: -11.389 tors. eta vs tors. theta energy: -20.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -191.805928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.805928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.805928 (E_RNA) where: Base-Base interactions energy: -99.059 where: short stacking energy: -98.660 Base-Backbone interact. energy: 0.615 local terms energy: -93.361581 where: bonds (distance) C4'-P energy: -18.906 bonds (distance) P-C4' energy: -19.826 flat angles C4'-P-C4' energy: -17.243 flat angles P-C4'-P energy: -15.476 tors. eta vs tors. theta energy: -21.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -178.225299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.225299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.225299 (E_RNA) where: Base-Base interactions energy: -98.599 where: short stacking energy: -98.599 Base-Backbone interact. energy: 1.880 local terms energy: -81.506360 where: bonds (distance) C4'-P energy: -14.125 bonds (distance) P-C4' energy: -17.079 flat angles C4'-P-C4' energy: -15.139 flat angles P-C4'-P energy: -12.792 tors. eta vs tors. theta energy: -22.371 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: 135 Temperature: 1.100000 Total energy: -168.332760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.332760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.332760 (E_RNA) where: Base-Base interactions energy: -86.576 where: short stacking energy: -86.576 Base-Backbone interact. energy: -0.004 local terms energy: -81.752341 where: bonds (distance) C4'-P energy: -17.477 bonds (distance) P-C4' energy: -17.288 flat angles C4'-P-C4' energy: -16.770 flat angles P-C4'-P energy: -10.432 tors. eta vs tors. theta energy: -19.785 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: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -150.905288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.905288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.905288 (E_RNA) where: Base-Base interactions energy: -78.444 where: short stacking energy: -78.444 Base-Backbone interact. energy: -0.153 local terms energy: -72.308343 where: bonds (distance) C4'-P energy: -17.645 bonds (distance) P-C4' energy: -15.461 flat angles C4'-P-C4' energy: -16.302 flat angles P-C4'-P energy: -7.126 tors. eta vs tors. theta energy: -15.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -128.524319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.524319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.524319 (E_RNA) where: Base-Base interactions energy: -62.443 where: short stacking energy: -62.443 Base-Backbone interact. energy: -0.125 local terms energy: -65.956355 where: bonds (distance) C4'-P energy: -15.499 bonds (distance) P-C4' energy: -13.029 flat angles C4'-P-C4' energy: -15.726 flat angles P-C4'-P energy: -11.807 tors. eta vs tors. theta energy: -9.895 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: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -133.676584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.676584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.676584 (E_RNA) where: Base-Base interactions energy: -55.581 where: short stacking energy: -57.535 Base-Backbone interact. energy: -0.350 local terms energy: -77.745582 where: bonds (distance) C4'-P energy: -17.425 bonds (distance) P-C4' energy: -20.130 flat angles C4'-P-C4' energy: -18.326 flat angles P-C4'-P energy: -12.556 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: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -126.438467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.438467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.438467 (E_RNA) where: Base-Base interactions energy: -63.172 where: short stacking energy: -62.925 Base-Backbone interact. energy: -0.052 local terms energy: -63.214596 where: bonds (distance) C4'-P energy: -9.277 bonds (distance) P-C4' energy: -16.421 flat angles C4'-P-C4' energy: -16.506 flat angles P-C4'-P energy: -9.405 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: 10, replica: 7 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -102.062225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.062225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.062225 (E_RNA) where: Base-Base interactions energy: -45.504 where: short stacking energy: -45.504 Base-Backbone interact. energy: 0.704 local terms energy: -57.262396 where: bonds (distance) C4'-P energy: -11.062 bonds (distance) P-C4' energy: -15.440 flat angles C4'-P-C4' energy: -20.003 flat angles P-C4'-P energy: -8.638 tors. eta vs tors. theta energy: -2.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -228.954565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.954565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.954565 (E_RNA) where: Base-Base interactions energy: -122.679 where: short stacking energy: -122.679 Base-Backbone interact. energy: -0.000 local terms energy: -106.275078 where: bonds (distance) C4'-P energy: -18.258 bonds (distance) P-C4' energy: -21.215 flat angles C4'-P-C4' energy: -19.058 flat angles P-C4'-P energy: -15.669 tors. eta vs tors. theta energy: -32.075 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: 10 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -196.777081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.777081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.777081 (E_RNA) where: Base-Base interactions energy: -108.047 where: short stacking energy: -108.047 Base-Backbone interact. energy: -0.009 local terms energy: -88.721056 where: bonds (distance) C4'-P energy: -14.762 bonds (distance) P-C4' energy: -18.283 flat angles C4'-P-C4' energy: -18.323 flat angles P-C4'-P energy: -12.551 tors. eta vs tors. theta energy: -24.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -176.900326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.900326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.900326 (E_RNA) where: Base-Base interactions energy: -88.465 where: short stacking energy: -88.465 Base-Backbone interact. energy: -0.002 local terms energy: -88.433443 where: bonds (distance) C4'-P energy: -17.412 bonds (distance) P-C4' energy: -19.471 flat angles C4'-P-C4' energy: -20.510 flat angles P-C4'-P energy: -13.249 tors. eta vs tors. theta energy: -17.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -184.394634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.394634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.394634 (E_RNA) where: Base-Base interactions energy: -102.661 where: short stacking energy: -100.608 Base-Backbone interact. energy: -0.005 local terms energy: -81.728659 where: bonds (distance) C4'-P energy: -14.420 bonds (distance) P-C4' energy: -16.474 flat angles C4'-P-C4' energy: -17.602 flat angles P-C4'-P energy: -11.019 tors. eta vs tors. theta energy: -22.214 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: 2 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -169.362936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.362936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.362936 (E_RNA) where: Base-Base interactions energy: -82.339 where: short stacking energy: -82.339 Base-Backbone interact. energy: -0.089 local terms energy: -86.934881 where: bonds (distance) C4'-P energy: -16.894 bonds (distance) P-C4' energy: -20.213 flat angles C4'-P-C4' energy: -18.200 flat angles P-C4'-P energy: -14.860 tors. eta vs tors. theta energy: -16.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -154.339828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.339828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.339828 (E_RNA) where: Base-Base interactions energy: -75.353 where: short stacking energy: -75.353 Base-Backbone interact. energy: 0.428 local terms energy: -79.414840 where: bonds (distance) C4'-P energy: -15.338 bonds (distance) P-C4' energy: -15.088 flat angles C4'-P-C4' energy: -14.843 flat angles P-C4'-P energy: -13.488 tors. eta vs tors. theta energy: -20.658 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: 4 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -137.807249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.807249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.807249 (E_RNA) where: Base-Base interactions energy: -64.469 where: short stacking energy: -64.469 Base-Backbone interact. energy: -0.095 local terms energy: -73.243228 where: bonds (distance) C4'-P energy: -12.515 bonds (distance) P-C4' energy: -20.968 flat angles C4'-P-C4' energy: -17.130 flat angles P-C4'-P energy: -12.671 tors. eta vs tors. theta energy: -9.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -143.551915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.551915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.551915 (E_RNA) where: Base-Base interactions energy: -70.358 where: short stacking energy: -70.358 Base-Backbone interact. energy: -0.244 local terms energy: -72.950135 where: bonds (distance) C4'-P energy: -16.055 bonds (distance) P-C4' energy: -15.805 flat angles C4'-P-C4' energy: -17.636 flat angles P-C4'-P energy: -10.947 tors. eta vs tors. theta energy: -12.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -122.526129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.526129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.526129 (E_RNA) where: Base-Base interactions energy: -53.255 where: short stacking energy: -53.255 Base-Backbone interact. energy: -0.822 local terms energy: -68.449523 where: bonds (distance) C4'-P energy: -16.523 bonds (distance) P-C4' energy: -20.083 flat angles C4'-P-C4' energy: -13.784 flat angles P-C4'-P energy: -9.917 tors. eta vs tors. theta energy: -8.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -95.425172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.425172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.425172 (E_RNA) where: Base-Base interactions energy: -39.636 where: short stacking energy: -39.141 Base-Backbone interact. energy: 0.619 local terms energy: -56.407662 where: bonds (distance) C4'-P energy: -17.664 bonds (distance) P-C4' energy: -12.517 flat angles C4'-P-C4' energy: -11.409 flat angles P-C4'-P energy: -12.360 tors. eta vs tors. theta energy: -2.457 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: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -217.301906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.301906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.301906 (E_RNA) where: Base-Base interactions energy: -119.569 where: short stacking energy: -119.569 Base-Backbone interact. energy: -0.000 local terms energy: -97.732926 where: bonds (distance) C4'-P energy: -16.266 bonds (distance) P-C4' energy: -20.326 flat angles C4'-P-C4' energy: -17.412 flat angles P-C4'-P energy: -16.615 tors. eta vs tors. theta energy: -27.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -177.402738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.402738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.402738 (E_RNA) where: Base-Base interactions energy: -93.837 where: short stacking energy: -93.648 Base-Backbone interact. energy: -0.079 local terms energy: -83.486606 where: bonds (distance) C4'-P energy: -15.702 bonds (distance) P-C4' energy: -18.308 flat angles C4'-P-C4' energy: -16.187 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -23.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -190.108153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.108153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.108153 (E_RNA) where: Base-Base interactions energy: -95.763 where: short stacking energy: -95.763 Base-Backbone interact. energy: -0.039 local terms energy: -94.306206 where: bonds (distance) C4'-P energy: -19.577 bonds (distance) P-C4' energy: -21.561 flat angles C4'-P-C4' energy: -19.632 flat angles P-C4'-P energy: -12.677 tors. eta vs tors. theta energy: -20.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -174.383416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.383416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.383416 (E_RNA) where: Base-Base interactions energy: -93.121 where: short stacking energy: -93.121 Base-Backbone interact. energy: 0.189 local terms energy: -81.451515 where: bonds (distance) C4'-P energy: -19.598 bonds (distance) P-C4' energy: -19.513 flat angles C4'-P-C4' energy: -16.995 flat angles P-C4'-P energy: -8.468 tors. eta vs tors. theta energy: -16.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -174.989143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.989143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.989143 (E_RNA) where: Base-Base interactions energy: -88.329 where: short stacking energy: -88.329 Base-Backbone interact. energy: -0.199 local terms energy: -86.461264 where: bonds (distance) C4'-P energy: -14.988 bonds (distance) P-C4' energy: -20.715 flat angles C4'-P-C4' energy: -19.683 flat angles P-C4'-P energy: -13.010 tors. eta vs tors. theta energy: -18.065 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: 6, replica: 1 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -157.304737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.304737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.304737 (E_RNA) where: Base-Base interactions energy: -85.888 where: short stacking energy: -85.888 Base-Backbone interact. energy: -0.005 local terms energy: -71.411709 where: bonds (distance) C4'-P energy: -11.235 bonds (distance) P-C4' energy: -17.422 flat angles C4'-P-C4' energy: -17.482 flat angles P-C4'-P energy: -7.196 tors. eta vs tors. theta energy: -18.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -144.943569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.943569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.943569 (E_RNA) where: Base-Base interactions energy: -76.396 where: short stacking energy: -76.396 Base-Backbone interact. energy: -0.213 local terms energy: -68.334843 where: bonds (distance) C4'-P energy: -9.663 bonds (distance) P-C4' energy: -19.442 flat angles C4'-P-C4' energy: -16.405 flat angles P-C4'-P energy: -9.924 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: 8, replica: 7 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -133.319947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.319947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.319947 (E_RNA) where: Base-Base interactions energy: -71.437 where: short stacking energy: -69.432 Base-Backbone interact. energy: -0.960 local terms energy: -60.922705 where: bonds (distance) C4'-P energy: -13.579 bonds (distance) P-C4' energy: -17.886 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -7.177 tors. eta vs tors. theta energy: -9.224 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: 3 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -114.707285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.707285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.707285 (E_RNA) where: Base-Base interactions energy: -50.270 where: short stacking energy: -50.270 Base-Backbone interact. energy: -0.031 local terms energy: -64.406706 where: bonds (distance) C4'-P energy: -13.322 bonds (distance) P-C4' energy: -19.423 flat angles C4'-P-C4' energy: -12.326 flat angles P-C4'-P energy: -11.031 tors. eta vs tors. theta energy: -8.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -109.309235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.309235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.309235 (E_RNA) where: Base-Base interactions energy: -45.212 where: short stacking energy: -43.407 Base-Backbone interact. energy: 0.772 local terms energy: -64.869271 where: bonds (distance) C4'-P energy: -18.746 bonds (distance) P-C4' energy: -14.742 flat angles C4'-P-C4' energy: -18.979 flat angles P-C4'-P energy: -9.009 tors. eta vs tors. theta energy: -3.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -196.165367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.165367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.165367 (E_RNA) where: Base-Base interactions energy: -106.235 where: short stacking energy: -106.235 Base-Backbone interact. energy: -0.000 local terms energy: -89.930161 where: bonds (distance) C4'-P energy: -10.672 bonds (distance) P-C4' energy: -21.374 flat angles C4'-P-C4' energy: -19.389 flat angles P-C4'-P energy: -15.881 tors. eta vs tors. theta energy: -22.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -222.282016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.282016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.282016 (E_RNA) where: Base-Base interactions energy: -122.401 where: short stacking energy: -122.401 Base-Backbone interact. energy: -0.000 local terms energy: -99.880648 where: bonds (distance) C4'-P energy: -19.110 bonds (distance) P-C4' energy: -17.328 flat angles C4'-P-C4' energy: -18.987 flat angles P-C4'-P energy: -13.862 tors. eta vs tors. theta energy: -30.593 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: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -190.838822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.838822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.838822 (E_RNA) where: Base-Base interactions energy: -102.613 where: short stacking energy: -102.119 Base-Backbone interact. energy: -0.082 local terms energy: -88.143392 where: bonds (distance) C4'-P energy: -14.185 bonds (distance) P-C4' energy: -19.679 flat angles C4'-P-C4' energy: -18.229 flat angles P-C4'-P energy: -15.671 tors. eta vs tors. theta energy: -20.380 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: 10 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -185.522686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.522686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.522686 (E_RNA) where: Base-Base interactions energy: -98.582 where: short stacking energy: -98.582 Base-Backbone interact. energy: -0.089 local terms energy: -86.851715 where: bonds (distance) C4'-P energy: -12.647 bonds (distance) P-C4' energy: -20.679 flat angles C4'-P-C4' energy: -18.715 flat angles P-C4'-P energy: -9.541 tors. eta vs tors. theta energy: -25.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -174.800800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.800800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.800800 (E_RNA) where: Base-Base interactions energy: -91.214 where: short stacking energy: -91.214 Base-Backbone interact. energy: -0.324 local terms energy: -83.262658 where: bonds (distance) C4'-P energy: -13.781 bonds (distance) P-C4' energy: -17.124 flat angles C4'-P-C4' energy: -21.160 flat angles P-C4'-P energy: -11.402 tors. eta vs tors. theta energy: -19.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -166.050713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.050713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.050713 (E_RNA) where: Base-Base interactions energy: -88.764 where: short stacking energy: -91.364 Base-Backbone interact. energy: -0.149 local terms energy: -77.137958 where: bonds (distance) C4'-P energy: -14.243 bonds (distance) P-C4' energy: -12.400 flat angles C4'-P-C4' energy: -19.255 flat angles P-C4'-P energy: -13.636 tors. eta vs tors. theta energy: -17.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -132.829884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.829884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.829884 (E_RNA) where: Base-Base interactions energy: -66.558 where: short stacking energy: -66.558 Base-Backbone interact. energy: -0.588 local terms energy: -65.683234 where: bonds (distance) C4'-P energy: -14.439 bonds (distance) P-C4' energy: -14.236 flat angles C4'-P-C4' energy: -18.067 flat angles P-C4'-P energy: -13.354 tors. eta vs tors. theta energy: -5.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -113.002123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.002123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.002123 (E_RNA) where: Base-Base interactions energy: -51.869 where: short stacking energy: -52.651 Base-Backbone interact. energy: 1.511 local terms energy: -62.644200 where: bonds (distance) C4'-P energy: -14.226 bonds (distance) P-C4' energy: -18.516 flat angles C4'-P-C4' energy: -14.656 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -10.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -119.025647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.025647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.025647 (E_RNA) where: Base-Base interactions energy: -56.926 where: short stacking energy: -56.350 Base-Backbone interact. energy: -0.212 local terms energy: -61.887524 where: bonds (distance) C4'-P energy: -14.229 bonds (distance) P-C4' energy: -16.227 flat angles C4'-P-C4' energy: -17.630 flat angles P-C4'-P energy: -8.518 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: 10, replica: 3 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -111.796686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.796686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.796686 (E_RNA) where: Base-Base interactions energy: -49.338 where: short stacking energy: -49.338 Base-Backbone interact. energy: -0.139 local terms energy: -62.319856 where: bonds (distance) C4'-P energy: -10.816 bonds (distance) P-C4' energy: -21.077 flat angles C4'-P-C4' energy: -15.853 flat angles P-C4'-P energy: -11.736 tors. eta vs tors. theta energy: -2.838 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: 6 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -204.115977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.115977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.115977 (E_RNA) where: Base-Base interactions energy: -105.060 where: short stacking energy: -105.060 Base-Backbone interact. energy: -0.002 local terms energy: -99.054139 where: bonds (distance) C4'-P energy: -18.986 bonds (distance) P-C4' energy: -20.905 flat angles C4'-P-C4' energy: -18.473 flat angles P-C4'-P energy: -17.205 tors. eta vs tors. theta energy: -23.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -226.442341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.442341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.442341 (E_RNA) where: Base-Base interactions energy: -126.632 where: short stacking energy: -126.632 Base-Backbone interact. energy: -0.000 local terms energy: -99.810417 where: bonds (distance) C4'-P energy: -16.966 bonds (distance) P-C4' energy: -20.076 flat angles C4'-P-C4' energy: -18.529 flat angles P-C4'-P energy: -13.959 tors. eta vs tors. theta energy: -30.280 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: 2 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -212.438186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.438186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.438186 (E_RNA) where: Base-Base interactions energy: -110.489 where: short stacking energy: -110.489 Base-Backbone interact. energy: -0.102 local terms energy: -101.848069 where: bonds (distance) C4'-P energy: -17.685 bonds (distance) P-C4' energy: -19.914 flat angles C4'-P-C4' energy: -23.720 flat angles P-C4'-P energy: -14.834 tors. eta vs tors. theta energy: -25.695 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: 4, replica: 1 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -177.228355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.228355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.228355 (E_RNA) where: Base-Base interactions energy: -93.490 where: short stacking energy: -93.490 Base-Backbone interact. energy: -0.098 local terms energy: -83.640302 where: bonds (distance) C4'-P energy: -19.387 bonds (distance) P-C4' energy: -18.775 flat angles C4'-P-C4' energy: -12.562 flat angles P-C4'-P energy: -12.988 tors. eta vs tors. theta energy: -19.928 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: 10 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -175.648729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.648729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.648729 (E_RNA) where: Base-Base interactions energy: -83.112 where: short stacking energy: -83.112 Base-Backbone interact. energy: -0.000 local terms energy: -92.536394 where: bonds (distance) C4'-P energy: -19.145 bonds (distance) P-C4' energy: -19.398 flat angles C4'-P-C4' energy: -17.940 flat angles P-C4'-P energy: -13.045 tors. eta vs tors. theta energy: -23.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -167.337113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.337113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.337113 (E_RNA) where: Base-Base interactions energy: -89.678 where: short stacking energy: -89.678 Base-Backbone interact. energy: -0.001 local terms energy: -77.657875 where: bonds (distance) C4'-P energy: -17.917 bonds (distance) P-C4' energy: -18.344 flat angles C4'-P-C4' energy: -14.963 flat angles P-C4'-P energy: -11.721 tors. eta vs tors. theta energy: -14.712 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: 7, replica: 8 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -161.973487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.973487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.973487 (E_RNA) where: Base-Base interactions energy: -85.068 where: short stacking energy: -84.741 Base-Backbone interact. energy: -0.139 local terms energy: -76.766226 where: bonds (distance) C4'-P energy: -11.729 bonds (distance) P-C4' energy: -17.973 flat angles C4'-P-C4' energy: -22.414 flat angles P-C4'-P energy: -9.572 tors. eta vs tors. theta energy: -15.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -134.220001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.220001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.220001 (E_RNA) where: Base-Base interactions energy: -70.480 where: short stacking energy: -70.480 Base-Backbone interact. energy: 0.405 local terms energy: -64.145382 where: bonds (distance) C4'-P energy: -12.294 bonds (distance) P-C4' energy: -15.664 flat angles C4'-P-C4' energy: -15.529 flat angles P-C4'-P energy: -8.090 tors. eta vs tors. theta energy: -12.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -109.151684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.151684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.151684 (E_RNA) where: Base-Base interactions energy: -52.070 where: short stacking energy: -51.395 Base-Backbone interact. energy: 1.719 local terms energy: -58.800850 where: bonds (distance) C4'-P energy: -14.945 bonds (distance) P-C4' energy: -20.426 flat angles C4'-P-C4' energy: -13.450 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -4.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -117.134016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.134016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.134016 (E_RNA) where: Base-Base interactions energy: -60.394 where: short stacking energy: -60.394 Base-Backbone interact. energy: -0.096 local terms energy: -56.644756 where: bonds (distance) C4'-P energy: -9.029 bonds (distance) P-C4' energy: -13.355 flat angles C4'-P-C4' energy: -17.296 flat angles P-C4'-P energy: -13.018 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -227.471571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.471571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.471571 (E_RNA) where: Base-Base interactions energy: -126.881 where: short stacking energy: -126.881 Base-Backbone interact. energy: -0.001 local terms energy: -100.589758 where: bonds (distance) C4'-P energy: -17.131 bonds (distance) P-C4' energy: -18.293 flat angles C4'-P-C4' energy: -20.349 flat angles P-C4'-P energy: -15.814 tors. eta vs tors. theta energy: -29.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -191.394575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.394575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.394575 (E_RNA) where: Base-Base interactions energy: -100.570 where: short stacking energy: -100.570 Base-Backbone interact. energy: -0.007 local terms energy: -90.817944 where: bonds (distance) C4'-P energy: -18.653 bonds (distance) P-C4' energy: -17.251 flat angles C4'-P-C4' energy: -15.862 flat angles P-C4'-P energy: -14.721 tors. eta vs tors. theta energy: -24.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -206.754793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.754793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.754793 (E_RNA) where: Base-Base interactions energy: -110.426 where: short stacking energy: -110.426 Base-Backbone interact. energy: -0.000 local terms energy: -96.328264 where: bonds (distance) C4'-P energy: -20.687 bonds (distance) P-C4' energy: -20.658 flat angles C4'-P-C4' energy: -14.724 flat angles P-C4'-P energy: -13.919 tors. eta vs tors. theta energy: -26.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -181.458934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.458934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.458934 (E_RNA) where: Base-Base interactions energy: -98.859 where: short stacking energy: -96.789 Base-Backbone interact. energy: -0.030 local terms energy: -82.569403 where: bonds (distance) C4'-P energy: -19.043 bonds (distance) P-C4' energy: -17.004 flat angles C4'-P-C4' energy: -17.814 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: -19.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -165.943467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.943467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.943467 (E_RNA) where: Base-Base interactions energy: -86.513 where: short stacking energy: -86.513 Base-Backbone interact. energy: -0.014 local terms energy: -79.415639 where: bonds (distance) C4'-P energy: -19.396 bonds (distance) P-C4' energy: -16.722 flat angles C4'-P-C4' energy: -18.885 flat angles P-C4'-P energy: -12.588 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: 6, replica: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -172.852665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.852665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.852665 (E_RNA) where: Base-Base interactions energy: -90.450 where: short stacking energy: -90.450 Base-Backbone interact. energy: -0.175 local terms energy: -82.227661 where: bonds (distance) C4'-P energy: -12.162 bonds (distance) P-C4' energy: -15.624 flat angles C4'-P-C4' energy: -17.557 flat angles P-C4'-P energy: -15.611 tors. eta vs tors. theta energy: -21.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -139.749788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.749788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.749788 (E_RNA) where: Base-Base interactions energy: -72.527 where: short stacking energy: -68.633 Base-Backbone interact. energy: -0.133 local terms energy: -67.090345 where: bonds (distance) C4'-P energy: -11.794 bonds (distance) P-C4' energy: -18.418 flat angles C4'-P-C4' energy: -12.446 flat angles P-C4'-P energy: -13.661 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: 8, replica: 9 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -134.469464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.469464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.469464 (E_RNA) where: Base-Base interactions energy: -70.026 where: short stacking energy: -64.835 Base-Backbone interact. energy: -0.434 local terms energy: -64.009608 where: bonds (distance) C4'-P energy: -11.744 bonds (distance) P-C4' energy: -17.050 flat angles C4'-P-C4' energy: -17.569 flat angles P-C4'-P energy: -10.462 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: 9, replica: 3 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -132.052062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.052062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.052062 (E_RNA) where: Base-Base interactions energy: -58.018 where: short stacking energy: -58.018 Base-Backbone interact. energy: -0.059 local terms energy: -73.975155 where: bonds (distance) C4'-P energy: -16.368 bonds (distance) P-C4' energy: -19.066 flat angles C4'-P-C4' energy: -17.884 flat angles P-C4'-P energy: -13.131 tors. eta vs tors. theta energy: -7.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -132.163264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.163264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.163264 (E_RNA) where: Base-Base interactions energy: -58.026 where: short stacking energy: -58.026 Base-Backbone interact. energy: -0.181 local terms energy: -73.956864 where: bonds (distance) C4'-P energy: -15.034 bonds (distance) P-C4' energy: -18.299 flat angles C4'-P-C4' energy: -15.151 flat angles P-C4'-P energy: -12.429 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: 1, replica: 5 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -219.006557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.006557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.006557 (E_RNA) where: Base-Base interactions energy: -114.614 where: short stacking energy: -114.614 Base-Backbone interact. energy: -0.009 local terms energy: -104.383253 where: bonds (distance) C4'-P energy: -18.776 bonds (distance) P-C4' energy: -20.817 flat angles C4'-P-C4' energy: -18.530 flat angles P-C4'-P energy: -17.688 tors. eta vs tors. theta energy: -28.572 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: 2, replica: 2 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -199.547801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.547801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.547801 (E_RNA) where: Base-Base interactions energy: -104.850 where: short stacking energy: -104.551 Base-Backbone interact. energy: -0.057 local terms energy: -94.640655 where: bonds (distance) C4'-P energy: -19.126 bonds (distance) P-C4' energy: -20.053 flat angles C4'-P-C4' energy: -20.649 flat angles P-C4'-P energy: -10.960 tors. eta vs tors. theta energy: -23.853 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: 6 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -182.066409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.066409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.066409 (E_RNA) where: Base-Base interactions energy: -96.006 where: short stacking energy: -96.006 Base-Backbone interact. energy: -0.012 local terms energy: -86.049135 where: bonds (distance) C4'-P energy: -14.643 bonds (distance) P-C4' energy: -20.358 flat angles C4'-P-C4' energy: -19.259 flat angles P-C4'-P energy: -11.330 tors. eta vs tors. theta energy: -20.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -166.405674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.405674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.405674 (E_RNA) where: Base-Base interactions energy: -85.921 where: short stacking energy: -81.041 Base-Backbone interact. energy: -0.047 local terms energy: -80.437977 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -21.479 flat angles C4'-P-C4' energy: -18.933 flat angles P-C4'-P energy: -9.889 tors. eta vs tors. theta energy: -15.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -170.737691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.737691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.737691 (E_RNA) where: Base-Base interactions energy: -100.593 where: short stacking energy: -100.072 Base-Backbone interact. energy: -0.144 local terms energy: -70.000665 where: bonds (distance) C4'-P energy: -11.057 bonds (distance) P-C4' energy: -19.057 flat angles C4'-P-C4' energy: -11.991 flat angles P-C4'-P energy: -6.926 tors. eta vs tors. theta energy: -20.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -144.677397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.677397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.677397 (E_RNA) where: Base-Base interactions energy: -82.010 where: short stacking energy: -82.010 Base-Backbone interact. energy: -0.167 local terms energy: -62.500134 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -15.477 flat angles C4'-P-C4' energy: -12.165 flat angles P-C4'-P energy: -10.915 tors. eta vs tors. theta energy: -15.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -130.172369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.172369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.172369 (E_RNA) where: Base-Base interactions energy: -58.331 where: short stacking energy: -55.711 Base-Backbone interact. energy: -0.391 local terms energy: -71.451212 where: bonds (distance) C4'-P energy: -17.867 bonds (distance) P-C4' energy: -15.263 flat angles C4'-P-C4' energy: -18.685 flat angles P-C4'-P energy: -9.995 tors. eta vs tors. theta energy: -9.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -120.267110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.267110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.267110 (E_RNA) where: Base-Base interactions energy: -55.988 where: short stacking energy: -56.788 Base-Backbone interact. energy: -0.158 local terms energy: -64.121098 where: bonds (distance) C4'-P energy: -16.572 bonds (distance) P-C4' energy: -18.424 flat angles C4'-P-C4' energy: -12.873 flat angles P-C4'-P energy: -10.762 tors. eta vs tors. theta energy: -5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -112.661255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.661255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.661255 (E_RNA) where: Base-Base interactions energy: -55.250 where: short stacking energy: -56.307 Base-Backbone interact. energy: -0.019 local terms energy: -57.392752 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -12.045 flat angles C4'-P-C4' energy: -17.687 flat angles P-C4'-P energy: -8.686 tors. eta vs tors. theta energy: -4.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -114.440329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.440329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.440329 (E_RNA) where: Base-Base interactions energy: -54.442 where: short stacking energy: -53.123 Base-Backbone interact. energy: -1.026 local terms energy: -58.972533 where: bonds (distance) C4'-P energy: -11.621 bonds (distance) P-C4' energy: -16.336 flat angles C4'-P-C4' energy: -12.945 flat angles P-C4'-P energy: -11.007 tors. eta vs tors. theta energy: -7.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -205.824410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.824410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.824410 (E_RNA) where: Base-Base interactions energy: -105.870 where: short stacking energy: -105.870 Base-Backbone interact. energy: -0.062 local terms energy: -99.892627 where: bonds (distance) C4'-P energy: -16.800 bonds (distance) P-C4' energy: -18.449 flat angles C4'-P-C4' energy: -21.708 flat angles P-C4'-P energy: -17.620 tors. eta vs tors. theta energy: -25.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -189.091587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.091587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.091587 (E_RNA) where: Base-Base interactions energy: -100.168 where: short stacking energy: -100.168 Base-Backbone interact. energy: -0.182 local terms energy: -88.741677 where: bonds (distance) C4'-P energy: -19.181 bonds (distance) P-C4' energy: -19.724 flat angles C4'-P-C4' energy: -17.144 flat angles P-C4'-P energy: -11.665 tors. eta vs tors. theta energy: -21.028 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: 142 Temperature: 1.000000 Total energy: -181.582201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.582201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.582201 (E_RNA) where: Base-Base interactions energy: -93.756 where: short stacking energy: -93.756 Base-Backbone interact. energy: -0.001 local terms energy: -87.825208 where: bonds (distance) C4'-P energy: -16.865 bonds (distance) P-C4' energy: -19.081 flat angles C4'-P-C4' energy: -21.265 flat angles P-C4'-P energy: -11.593 tors. eta vs tors. theta energy: -19.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -159.717423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.717423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.717423 (E_RNA) where: Base-Base interactions energy: -84.914 where: short stacking energy: -84.914 Base-Backbone interact. energy: -0.102 local terms energy: -74.701183 where: bonds (distance) C4'-P energy: -12.506 bonds (distance) P-C4' energy: -17.317 flat angles C4'-P-C4' energy: -16.196 flat angles P-C4'-P energy: -12.717 tors. eta vs tors. theta energy: -15.964 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: 1 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -168.679437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.679437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.679437 (E_RNA) where: Base-Base interactions energy: -93.930 where: short stacking energy: -95.030 Base-Backbone interact. energy: -0.092 local terms energy: -74.657107 where: bonds (distance) C4'-P energy: -15.914 bonds (distance) P-C4' energy: -14.031 flat angles C4'-P-C4' energy: -14.616 flat angles P-C4'-P energy: -9.036 tors. eta vs tors. theta energy: -21.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -163.584107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.584107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.584107 (E_RNA) where: Base-Base interactions energy: -88.567 where: short stacking energy: -88.567 Base-Backbone interact. energy: -0.071 local terms energy: -74.945766 where: bonds (distance) C4'-P energy: -16.881 bonds (distance) P-C4' energy: -14.922 flat angles C4'-P-C4' energy: -12.627 flat angles P-C4'-P energy: -10.330 tors. eta vs tors. theta energy: -20.185 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: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -125.230003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.230003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.230003 (E_RNA) where: Base-Base interactions energy: -56.758 where: short stacking energy: -56.758 Base-Backbone interact. energy: -1.704 local terms energy: -66.767714 where: bonds (distance) C4'-P energy: -18.738 bonds (distance) P-C4' energy: -18.632 flat angles C4'-P-C4' energy: -15.206 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -10.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -154.872838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.872838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.872838 (E_RNA) where: Base-Base interactions energy: -73.852 where: short stacking energy: -73.852 Base-Backbone interact. energy: -0.198 local terms energy: -80.822819 where: bonds (distance) C4'-P energy: -17.701 bonds (distance) P-C4' energy: -20.451 flat angles C4'-P-C4' energy: -17.288 flat angles P-C4'-P energy: -9.340 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: 9, replica: 4 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -121.797324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.797324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.797324 (E_RNA) where: Base-Base interactions energy: -55.054 where: short stacking energy: -55.054 Base-Backbone interact. energy: -0.133 local terms energy: -66.610558 where: bonds (distance) C4'-P energy: -16.845 bonds (distance) P-C4' energy: -16.961 flat angles C4'-P-C4' energy: -13.402 flat angles P-C4'-P energy: -7.634 tors. eta vs tors. theta energy: -11.768 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: 10, replica: 3 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -107.645156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.645156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.645156 (E_RNA) where: Base-Base interactions energy: -54.007 where: short stacking energy: -53.531 Base-Backbone interact. energy: -1.239 local terms energy: -52.399518 where: bonds (distance) C4'-P energy: -14.320 bonds (distance) P-C4' energy: -13.836 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -8.324 tors. eta vs tors. theta energy: -3.653 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: 1, replica: 5 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -204.458299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.458299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.458299 (E_RNA) where: Base-Base interactions energy: -111.870 where: short stacking energy: -111.870 Base-Backbone interact. energy: -0.062 local terms energy: -92.525818 where: bonds (distance) C4'-P energy: -19.483 bonds (distance) P-C4' energy: -20.241 flat angles C4'-P-C4' energy: -16.602 flat angles P-C4'-P energy: -13.387 tors. eta vs tors. theta energy: -22.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -196.889315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.889315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.889315 (E_RNA) where: Base-Base interactions energy: -102.628 where: short stacking energy: -102.148 Base-Backbone interact. energy: -0.253 local terms energy: -94.008631 where: bonds (distance) C4'-P energy: -21.759 bonds (distance) P-C4' energy: -17.802 flat angles C4'-P-C4' energy: -20.952 flat angles P-C4'-P energy: -10.014 tors. eta vs tors. theta energy: -23.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -190.006300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.006300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.006300 (E_RNA) where: Base-Base interactions energy: -99.632 where: short stacking energy: -99.632 Base-Backbone interact. energy: -0.000 local terms energy: -90.373675 where: bonds (distance) C4'-P energy: -17.726 bonds (distance) P-C4' energy: -16.756 flat angles C4'-P-C4' energy: -17.003 flat angles P-C4'-P energy: -11.068 tors. eta vs tors. theta energy: -27.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -175.609380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.609380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.609380 (E_RNA) where: Base-Base interactions energy: -96.126 where: short stacking energy: -95.802 Base-Backbone interact. energy: -0.047 local terms energy: -79.435912 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -19.090 flat angles C4'-P-C4' energy: -22.280 flat angles P-C4'-P energy: -11.419 tors. eta vs tors. theta energy: -13.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -169.954825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.954825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.954825 (E_RNA) where: Base-Base interactions energy: -93.769 where: short stacking energy: -93.769 Base-Backbone interact. energy: -0.000 local terms energy: -76.185639 where: bonds (distance) C4'-P energy: -14.402 bonds (distance) P-C4' energy: -19.665 flat angles C4'-P-C4' energy: -14.170 flat angles P-C4'-P energy: -10.594 tors. eta vs tors. theta energy: -17.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -150.579530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.579530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.579530 (E_RNA) where: Base-Base interactions energy: -80.411 where: short stacking energy: -80.411 Base-Backbone interact. energy: -0.109 local terms energy: -70.059026 where: bonds (distance) C4'-P energy: -11.710 bonds (distance) P-C4' energy: -17.676 flat angles C4'-P-C4' energy: -14.781 flat angles P-C4'-P energy: -10.429 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: 7, replica: 8 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -144.616548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.616548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.616548 (E_RNA) where: Base-Base interactions energy: -66.131 where: short stacking energy: -65.925 Base-Backbone interact. energy: -0.069 local terms energy: -78.416523 where: bonds (distance) C4'-P energy: -12.888 bonds (distance) P-C4' energy: -18.001 flat angles C4'-P-C4' energy: -19.186 flat angles P-C4'-P energy: -14.419 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: 8, replica: 4 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -143.193085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.193085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.193085 (E_RNA) where: Base-Base interactions energy: -72.238 where: short stacking energy: -72.238 Base-Backbone interact. energy: -0.011 local terms energy: -70.943839 where: bonds (distance) C4'-P energy: -16.079 bonds (distance) P-C4' energy: -17.416 flat angles C4'-P-C4' energy: -15.010 flat angles P-C4'-P energy: -8.033 tors. eta vs tors. theta energy: -14.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -124.970741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.970741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.970741 (E_RNA) where: Base-Base interactions energy: -55.875 where: short stacking energy: -55.875 Base-Backbone interact. energy: -0.177 local terms energy: -68.918173 where: bonds (distance) C4'-P energy: -17.516 bonds (distance) P-C4' energy: -19.172 flat angles C4'-P-C4' energy: -17.095 flat angles P-C4'-P energy: -9.937 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: 3 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -118.487265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.487265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.487265 (E_RNA) where: Base-Base interactions energy: -52.448 where: short stacking energy: -52.448 Base-Backbone interact. energy: 2.005 local terms energy: -68.044212 where: bonds (distance) C4'-P energy: -19.753 bonds (distance) P-C4' energy: -19.068 flat angles C4'-P-C4' energy: -13.764 flat angles P-C4'-P energy: -5.340 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: 1, replica: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -210.715931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.715931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.715931 (E_RNA) where: Base-Base interactions energy: -114.617 where: short stacking energy: -114.617 Base-Backbone interact. energy: -0.105 local terms energy: -95.994041 where: bonds (distance) C4'-P energy: -19.272 bonds (distance) P-C4' energy: -18.595 flat angles C4'-P-C4' energy: -18.332 flat angles P-C4'-P energy: -15.743 tors. eta vs tors. theta energy: -24.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -203.724385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.724385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.724385 (E_RNA) where: Base-Base interactions energy: -109.715 where: short stacking energy: -109.715 Base-Backbone interact. energy: -0.000 local terms energy: -94.008689 where: bonds (distance) C4'-P energy: -17.557 bonds (distance) P-C4' energy: -17.781 flat angles C4'-P-C4' energy: -21.690 flat angles P-C4'-P energy: -11.142 tors. eta vs tors. theta energy: -25.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -177.635797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.635797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.635797 (E_RNA) where: Base-Base interactions energy: -93.707 where: short stacking energy: -93.707 Base-Backbone interact. energy: -0.198 local terms energy: -83.730710 where: bonds (distance) C4'-P energy: -16.785 bonds (distance) P-C4' energy: -17.373 flat angles C4'-P-C4' energy: -19.592 flat angles P-C4'-P energy: -15.125 tors. eta vs tors. theta energy: -14.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -184.950063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.950063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.950063 (E_RNA) where: Base-Base interactions energy: -96.769 where: short stacking energy: -96.769 Base-Backbone interact. energy: -0.001 local terms energy: -88.180045 where: bonds (distance) C4'-P energy: -15.230 bonds (distance) P-C4' energy: -16.562 flat angles C4'-P-C4' energy: -16.247 flat angles P-C4'-P energy: -14.871 tors. eta vs tors. theta energy: -25.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -148.697608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.697608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.697608 (E_RNA) where: Base-Base interactions energy: -75.458 where: short stacking energy: -75.458 Base-Backbone interact. energy: -0.075 local terms energy: -73.164196 where: bonds (distance) C4'-P energy: -20.836 bonds (distance) P-C4' energy: -16.631 flat angles C4'-P-C4' energy: -17.248 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -13.362 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: 9 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -135.905761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.905761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.905761 (E_RNA) where: Base-Base interactions energy: -66.534 where: short stacking energy: -66.534 Base-Backbone interact. energy: -0.065 local terms energy: -69.306978 where: bonds (distance) C4'-P energy: -17.450 bonds (distance) P-C4' energy: -16.247 flat angles C4'-P-C4' energy: -14.726 flat angles P-C4'-P energy: -13.297 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: 7, replica: 4 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -123.326295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.326295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.326295 (E_RNA) where: Base-Base interactions energy: -53.422 where: short stacking energy: -51.363 Base-Backbone interact. energy: -0.250 local terms energy: -69.654532 where: bonds (distance) C4'-P energy: -16.851 bonds (distance) P-C4' energy: -20.886 flat angles C4'-P-C4' energy: -15.749 flat angles P-C4'-P energy: -10.575 tors. eta vs tors. theta energy: -5.593 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: 8 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -121.836190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.836190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.836190 (E_RNA) where: Base-Base interactions energy: -57.146 where: short stacking energy: -57.146 Base-Backbone interact. energy: -0.275 local terms energy: -64.415293 where: bonds (distance) C4'-P energy: -15.169 bonds (distance) P-C4' energy: -21.088 flat angles C4'-P-C4' energy: -16.284 flat angles P-C4'-P energy: -9.101 tors. eta vs tors. theta energy: -2.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -124.918489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.918489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.918489 (E_RNA) where: Base-Base interactions energy: -57.912 where: short stacking energy: -56.960 Base-Backbone interact. energy: -0.284 local terms energy: -66.722725 where: bonds (distance) C4'-P energy: -18.415 bonds (distance) P-C4' energy: -14.595 flat angles C4'-P-C4' energy: -17.252 flat angles P-C4'-P energy: -12.138 tors. eta vs tors. theta energy: -4.323 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: 144 Temperature: 1.350000 Total energy: -111.678859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.678859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.678859 (E_RNA) where: Base-Base interactions energy: -47.134 where: short stacking energy: -47.134 Base-Backbone interact. energy: -0.199 local terms energy: -64.345755 where: bonds (distance) C4'-P energy: -17.594 bonds (distance) P-C4' energy: -11.742 flat angles C4'-P-C4' energy: -17.529 flat angles P-C4'-P energy: -9.712 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: 1, replica: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -210.443690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.443690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.443690 (E_RNA) where: Base-Base interactions energy: -114.310 where: short stacking energy: -114.310 Base-Backbone interact. energy: -0.054 local terms energy: -96.079753 where: bonds (distance) C4'-P energy: -15.257 bonds (distance) P-C4' energy: -21.933 flat angles C4'-P-C4' energy: -19.638 flat angles P-C4'-P energy: -13.550 tors. eta vs tors. theta energy: -25.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -195.788736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.788736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.788736 (E_RNA) where: Base-Base interactions energy: -104.393 where: short stacking energy: -104.393 Base-Backbone interact. energy: -0.103 local terms energy: -91.292421 where: bonds (distance) C4'-P energy: -18.870 bonds (distance) P-C4' energy: -20.777 flat angles C4'-P-C4' energy: -19.583 flat angles P-C4'-P energy: -12.564 tors. eta vs tors. theta energy: -19.498 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: 5 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -190.565070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.565070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.565070 (E_RNA) where: Base-Base interactions energy: -101.984 where: short stacking energy: -101.502 Base-Backbone interact. energy: -0.070 local terms energy: -88.511183 where: bonds (distance) C4'-P energy: -17.638 bonds (distance) P-C4' energy: -17.442 flat angles C4'-P-C4' energy: -16.430 flat angles P-C4'-P energy: -15.814 tors. eta vs tors. theta energy: -21.187 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: 4, replica: 10 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -177.631158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.631158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.631158 (E_RNA) where: Base-Base interactions energy: -96.996 where: short stacking energy: -96.996 Base-Backbone interact. energy: 0.575 local terms energy: -81.210394 where: bonds (distance) C4'-P energy: -16.175 bonds (distance) P-C4' energy: -16.671 flat angles C4'-P-C4' energy: -17.353 flat angles P-C4'-P energy: -13.087 tors. eta vs tors. theta energy: -17.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -163.214225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.214225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.214225 (E_RNA) where: Base-Base interactions energy: -87.266 where: short stacking energy: -87.266 Base-Backbone interact. energy: 0.732 local terms energy: -76.679502 where: bonds (distance) C4'-P energy: -15.955 bonds (distance) P-C4' energy: -16.301 flat angles C4'-P-C4' energy: -16.873 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -20.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -162.790325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.790325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.790325 (E_RNA) where: Base-Base interactions energy: -82.955 where: short stacking energy: -82.955 Base-Backbone interact. energy: -0.115 local terms energy: -79.720284 where: bonds (distance) C4'-P energy: -19.483 bonds (distance) P-C4' energy: -19.505 flat angles C4'-P-C4' energy: -16.773 flat angles P-C4'-P energy: -6.235 tors. eta vs tors. theta energy: -17.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -147.384303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.384303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.384303 (E_RNA) where: Base-Base interactions energy: -71.592 where: short stacking energy: -71.592 Base-Backbone interact. energy: -0.075 local terms energy: -75.717869 where: bonds (distance) C4'-P energy: -18.571 bonds (distance) P-C4' energy: -15.667 flat angles C4'-P-C4' energy: -15.733 flat angles P-C4'-P energy: -13.598 tors. eta vs tors. theta energy: -12.148 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: 8, replica: 3 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -124.944073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.944073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.944073 (E_RNA) where: Base-Base interactions energy: -55.221 where: short stacking energy: -55.221 Base-Backbone interact. energy: -0.062 local terms energy: -69.661219 where: bonds (distance) C4'-P energy: -14.332 bonds (distance) P-C4' energy: -14.878 flat angles C4'-P-C4' energy: -18.232 flat angles P-C4'-P energy: -14.282 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: 9, replica: 8 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -114.005818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.005818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.005818 (E_RNA) where: Base-Base interactions energy: -54.564 where: short stacking energy: -54.564 Base-Backbone interact. energy: -0.523 local terms energy: -58.919005 where: bonds (distance) C4'-P energy: -15.717 bonds (distance) P-C4' energy: -8.459 flat angles C4'-P-C4' energy: -14.332 flat angles P-C4'-P energy: -10.757 tors. eta vs tors. theta energy: -9.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -123.759520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.759520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.759520 (E_RNA) where: Base-Base interactions energy: -62.136 where: short stacking energy: -58.430 Base-Backbone interact. energy: -0.703 local terms energy: -60.920093 where: bonds (distance) C4'-P energy: -12.097 bonds (distance) P-C4' energy: -15.060 flat angles C4'-P-C4' energy: -16.390 flat angles P-C4'-P energy: -7.620 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: 1, replica: 2 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -206.438277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.438277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.438277 (E_RNA) where: Base-Base interactions energy: -105.646 where: short stacking energy: -105.646 Base-Backbone interact. energy: -0.002 local terms energy: -100.790215 where: bonds (distance) C4'-P energy: -21.089 bonds (distance) P-C4' energy: -19.376 flat angles C4'-P-C4' energy: -19.062 flat angles P-C4'-P energy: -15.770 tors. eta vs tors. theta energy: -25.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -206.473215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.473215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.473215 (E_RNA) where: Base-Base interactions energy: -109.164 where: short stacking energy: -109.164 Base-Backbone interact. energy: 0.168 local terms energy: -97.477387 where: bonds (distance) C4'-P energy: -20.096 bonds (distance) P-C4' energy: -18.249 flat angles C4'-P-C4' energy: -21.186 flat angles P-C4'-P energy: -13.787 tors. eta vs tors. theta energy: -24.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -188.457830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.457830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.457830 (E_RNA) where: Base-Base interactions energy: -98.413 where: short stacking energy: -98.413 Base-Backbone interact. energy: -0.060 local terms energy: -89.984807 where: bonds (distance) C4'-P energy: -18.215 bonds (distance) P-C4' energy: -19.876 flat angles C4'-P-C4' energy: -19.727 flat angles P-C4'-P energy: -12.097 tors. eta vs tors. theta energy: -20.070 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: 10 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -163.255535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.255535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.255535 (E_RNA) where: Base-Base interactions energy: -83.472 where: short stacking energy: -83.472 Base-Backbone interact. energy: -1.290 local terms energy: -78.493684 where: bonds (distance) C4'-P energy: -10.240 bonds (distance) P-C4' energy: -21.683 flat angles C4'-P-C4' energy: -20.439 flat angles P-C4'-P energy: -10.035 tors. eta vs tors. theta energy: -16.096 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: 9 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -160.641883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.641883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.641883 (E_RNA) where: Base-Base interactions energy: -84.131 where: short stacking energy: -80.252 Base-Backbone interact. energy: 0.674 local terms energy: -77.184639 where: bonds (distance) C4'-P energy: -16.024 bonds (distance) P-C4' energy: -19.495 flat angles C4'-P-C4' energy: -18.381 flat angles P-C4'-P energy: -8.448 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: 6, replica: 6 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -156.862766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.862766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.862766 (E_RNA) where: Base-Base interactions energy: -78.114 where: short stacking energy: -78.114 Base-Backbone interact. energy: -0.084 local terms energy: -78.664501 where: bonds (distance) C4'-P energy: -18.482 bonds (distance) P-C4' energy: -18.640 flat angles C4'-P-C4' energy: -19.094 flat angles P-C4'-P energy: -9.528 tors. eta vs tors. theta energy: -12.921 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: 3 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -130.455037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.455037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.455037 (E_RNA) where: Base-Base interactions energy: -63.230 where: short stacking energy: -63.230 Base-Backbone interact. energy: -0.216 local terms energy: -67.009010 where: bonds (distance) C4'-P energy: -18.026 bonds (distance) P-C4' energy: -16.843 flat angles C4'-P-C4' energy: -11.162 flat angles P-C4'-P energy: -9.402 tors. eta vs tors. theta energy: -11.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -130.720166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.720166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.720166 (E_RNA) where: Base-Base interactions energy: -60.938 where: short stacking energy: -60.928 Base-Backbone interact. energy: -0.182 local terms energy: -69.600262 where: bonds (distance) C4'-P energy: -14.154 bonds (distance) P-C4' energy: -18.808 flat angles C4'-P-C4' energy: -16.533 flat angles P-C4'-P energy: -6.777 tors. eta vs tors. theta energy: -13.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -125.869316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.869316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.869316 (E_RNA) where: Base-Base interactions energy: -59.058 where: short stacking energy: -51.363 Base-Backbone interact. energy: -0.226 local terms energy: -66.585497 where: bonds (distance) C4'-P energy: -15.068 bonds (distance) P-C4' energy: -16.373 flat angles C4'-P-C4' energy: -19.398 flat angles P-C4'-P energy: -7.960 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: 10, replica: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -117.213598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.213598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.213598 (E_RNA) where: Base-Base interactions energy: -59.532 where: short stacking energy: -58.476 Base-Backbone interact. energy: 3.209 local terms energy: -60.890591 where: bonds (distance) C4'-P energy: -16.655 bonds (distance) P-C4' energy: -19.661 flat angles C4'-P-C4' energy: -12.422 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -8.538 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: 1, replica: 2 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -210.295426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.295426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.295426 (E_RNA) where: Base-Base interactions energy: -118.313 where: short stacking energy: -118.313 Base-Backbone interact. energy: -0.090 local terms energy: -91.891604 where: bonds (distance) C4'-P energy: -16.664 bonds (distance) P-C4' energy: -13.823 flat angles C4'-P-C4' energy: -19.989 flat angles P-C4'-P energy: -17.566 tors. eta vs tors. theta energy: -23.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -199.656004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.656004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.656004 (E_RNA) where: Base-Base interactions energy: -116.565 where: short stacking energy: -116.565 Base-Backbone interact. energy: -0.022 local terms energy: -83.068761 where: bonds (distance) C4'-P energy: -14.465 bonds (distance) P-C4' energy: -13.642 flat angles C4'-P-C4' energy: -18.385 flat angles P-C4'-P energy: -8.984 tors. eta vs tors. theta energy: -27.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -181.288037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.288037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.288037 (E_RNA) where: Base-Base interactions energy: -89.048 where: short stacking energy: -88.481 Base-Backbone interact. energy: -0.117 local terms energy: -92.123278 where: bonds (distance) C4'-P energy: -22.736 bonds (distance) P-C4' energy: -20.520 flat angles C4'-P-C4' energy: -17.091 flat angles P-C4'-P energy: -9.909 tors. eta vs tors. theta energy: -21.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -184.737197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.737197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.737197 (E_RNA) where: Base-Base interactions energy: -94.877 where: short stacking energy: -94.877 Base-Backbone interact. energy: -0.022 local terms energy: -89.838547 where: bonds (distance) C4'-P energy: -18.104 bonds (distance) P-C4' energy: -18.854 flat angles C4'-P-C4' energy: -19.404 flat angles P-C4'-P energy: -9.771 tors. eta vs tors. theta energy: -23.706 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: 9 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -160.172289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.172289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.172289 (E_RNA) where: Base-Base interactions energy: -84.341 where: short stacking energy: -84.341 Base-Backbone interact. energy: -0.389 local terms energy: -75.441825 where: bonds (distance) C4'-P energy: -16.270 bonds (distance) P-C4' energy: -19.964 flat angles C4'-P-C4' energy: -16.400 flat angles P-C4'-P energy: -8.553 tors. eta vs tors. theta energy: -14.254 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: 6, replica: 6 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -143.073044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.073044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.073044 (E_RNA) where: Base-Base interactions energy: -69.027 where: short stacking energy: -69.027 Base-Backbone interact. energy: -0.059 local terms energy: -73.986879 where: bonds (distance) C4'-P energy: -16.803 bonds (distance) P-C4' energy: -18.392 flat angles C4'-P-C4' energy: -18.366 flat angles P-C4'-P energy: -12.291 tors. eta vs tors. theta energy: -8.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -152.888661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.888661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.888661 (E_RNA) where: Base-Base interactions energy: -82.520 where: short stacking energy: -82.448 Base-Backbone interact. energy: -0.103 local terms energy: -70.265495 where: bonds (distance) C4'-P energy: -15.723 bonds (distance) P-C4' energy: -18.861 flat angles C4'-P-C4' energy: -13.803 flat angles P-C4'-P energy: -7.194 tors. eta vs tors. theta energy: -14.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -115.985278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.985278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.985278 (E_RNA) where: Base-Base interactions energy: -46.021 where: short stacking energy: -46.021 Base-Backbone interact. energy: -0.521 local terms energy: -69.443127 where: bonds (distance) C4'-P energy: -16.337 bonds (distance) P-C4' energy: -17.578 flat angles C4'-P-C4' energy: -20.415 flat angles P-C4'-P energy: -12.434 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: 4 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -129.684557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.684557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.684557 (E_RNA) where: Base-Base interactions energy: -69.166 where: short stacking energy: -69.166 Base-Backbone interact. energy: -0.542 local terms energy: -59.976304 where: bonds (distance) C4'-P energy: -16.705 bonds (distance) P-C4' energy: -11.208 flat angles C4'-P-C4' energy: -15.505 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -11.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -112.612440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.612440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.612440 (E_RNA) where: Base-Base interactions energy: -51.097 where: short stacking energy: -51.953 Base-Backbone interact. energy: -1.628 local terms energy: -59.887078 where: bonds (distance) C4'-P energy: -18.158 bonds (distance) P-C4' energy: -18.777 flat angles C4'-P-C4' energy: -16.110 flat angles P-C4'-P energy: -6.448 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: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -207.506894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.506894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.506894 (E_RNA) where: Base-Base interactions energy: -114.825 where: short stacking energy: -114.825 Base-Backbone interact. energy: -0.002 local terms energy: -92.679825 where: bonds (distance) C4'-P energy: -17.280 bonds (distance) P-C4' energy: -20.592 flat angles C4'-P-C4' energy: -20.137 flat angles P-C4'-P energy: -9.409 tors. eta vs tors. theta energy: -25.261 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: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -202.521728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.521728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.521728 (E_RNA) where: Base-Base interactions energy: -107.263 where: short stacking energy: -107.263 Base-Backbone interact. energy: -0.044 local terms energy: -95.214198 where: bonds (distance) C4'-P energy: -17.914 bonds (distance) P-C4' energy: -19.936 flat angles C4'-P-C4' energy: -19.143 flat angles P-C4'-P energy: -16.561 tors. eta vs tors. theta energy: -21.660 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: 10 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -192.131495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.131495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.131495 (E_RNA) where: Base-Base interactions energy: -98.443 where: short stacking energy: -98.443 Base-Backbone interact. energy: -0.013 local terms energy: -93.674830 where: bonds (distance) C4'-P energy: -20.385 bonds (distance) P-C4' energy: -19.969 flat angles C4'-P-C4' energy: -18.224 flat angles P-C4'-P energy: -14.539 tors. eta vs tors. theta energy: -20.558 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: 5 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -186.072392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.072392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.072392 (E_RNA) where: Base-Base interactions energy: -100.977 where: short stacking energy: -100.977 Base-Backbone interact. energy: -0.108 local terms energy: -84.986552 where: bonds (distance) C4'-P energy: -11.894 bonds (distance) P-C4' energy: -17.288 flat angles C4'-P-C4' energy: -21.552 flat angles P-C4'-P energy: -12.373 tors. eta vs tors. theta energy: -21.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -175.846157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.846157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.846157 (E_RNA) where: Base-Base interactions energy: -90.445 where: short stacking energy: -90.445 Base-Backbone interact. energy: -0.008 local terms energy: -85.393119 where: bonds (distance) C4'-P energy: -14.998 bonds (distance) P-C4' energy: -17.442 flat angles C4'-P-C4' energy: -19.798 flat angles P-C4'-P energy: -12.281 tors. eta vs tors. theta energy: -20.874 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: 9 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -151.616762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.616762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.616762 (E_RNA) where: Base-Base interactions energy: -71.612 where: short stacking energy: -71.612 Base-Backbone interact. energy: -0.187 local terms energy: -79.817977 where: bonds (distance) C4'-P energy: -15.441 bonds (distance) P-C4' energy: -19.965 flat angles C4'-P-C4' energy: -16.734 flat angles P-C4'-P energy: -16.303 tors. eta vs tors. theta energy: -11.375 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: 148 Temperature: 1.200000 Total energy: -137.588431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.588431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.588431 (E_RNA) where: Base-Base interactions energy: -58.492 where: short stacking energy: -58.492 Base-Backbone interact. energy: -0.117 local terms energy: -78.979301 where: bonds (distance) C4'-P energy: -17.375 bonds (distance) P-C4' energy: -21.066 flat angles C4'-P-C4' energy: -17.303 flat angles P-C4'-P energy: -15.684 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: 8, replica: 7 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -147.605404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.605404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.605404 (E_RNA) where: Base-Base interactions energy: -73.437 where: short stacking energy: -73.437 Base-Backbone interact. energy: -0.052 local terms energy: -74.117305 where: bonds (distance) C4'-P energy: -19.081 bonds (distance) P-C4' energy: -16.368 flat angles C4'-P-C4' energy: -19.507 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -14.340 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: 8 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -128.308483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.308483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.308483 (E_RNA) where: Base-Base interactions energy: -57.243 where: short stacking energy: -57.216 Base-Backbone interact. energy: -0.257 local terms energy: -70.808282 where: bonds (distance) C4'-P energy: -16.900 bonds (distance) P-C4' energy: -19.206 flat angles C4'-P-C4' energy: -15.411 flat angles P-C4'-P energy: -11.110 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: 4 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -108.492853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.492853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.492853 (E_RNA) where: Base-Base interactions energy: -45.978 where: short stacking energy: -43.990 Base-Backbone interact. energy: -0.231 local terms energy: -62.283405 where: bonds (distance) C4'-P energy: -10.227 bonds (distance) P-C4' energy: -17.682 flat angles C4'-P-C4' energy: -17.824 flat angles P-C4'-P energy: -12.627 tors. eta vs tors. theta energy: -3.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -211.200765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.200765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.200765 (E_RNA) where: Base-Base interactions energy: -110.704 where: short stacking energy: -110.704 Base-Backbone interact. energy: -0.000 local terms energy: -100.497047 where: bonds (distance) C4'-P energy: -18.571 bonds (distance) P-C4' energy: -20.523 flat angles C4'-P-C4' energy: -22.079 flat angles P-C4'-P energy: -11.259 tors. eta vs tors. theta energy: -28.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -209.206011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.206011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.206011 (E_RNA) where: Base-Base interactions energy: -114.473 where: short stacking energy: -114.473 Base-Backbone interact. energy: -0.725 local terms energy: -94.008895 where: bonds (distance) C4'-P energy: -16.810 bonds (distance) P-C4' energy: -19.630 flat angles C4'-P-C4' energy: -18.714 flat angles P-C4'-P energy: -13.638 tors. eta vs tors. theta energy: -25.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -187.638327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.638327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.638327 (E_RNA) where: Base-Base interactions energy: -103.095 where: short stacking energy: -103.095 Base-Backbone interact. energy: -0.005 local terms energy: -84.538215 where: bonds (distance) C4'-P energy: -19.143 bonds (distance) P-C4' energy: -17.413 flat angles C4'-P-C4' energy: -19.620 flat angles P-C4'-P energy: -9.939 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: 4, replica: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -195.503149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.503149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.503149 (E_RNA) where: Base-Base interactions energy: -99.732 where: short stacking energy: -99.732 Base-Backbone interact. energy: -0.004 local terms energy: -95.767090 where: bonds (distance) C4'-P energy: -19.061 bonds (distance) P-C4' energy: -19.864 flat angles C4'-P-C4' energy: -20.749 flat angles P-C4'-P energy: -11.327 tors. eta vs tors. theta energy: -24.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -160.216295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.216295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.216295 (E_RNA) where: Base-Base interactions energy: -87.779 where: short stacking energy: -87.779 Base-Backbone interact. energy: -0.029 local terms energy: -72.408283 where: bonds (distance) C4'-P energy: -17.919 bonds (distance) P-C4' energy: -16.307 flat angles C4'-P-C4' energy: -15.778 flat angles P-C4'-P energy: -7.076 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: 6, replica: 9 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -136.885754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.885754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.885754 (E_RNA) where: Base-Base interactions energy: -62.948 where: short stacking energy: -62.948 Base-Backbone interact. energy: -0.180 local terms energy: -73.758116 where: bonds (distance) C4'-P energy: -15.961 bonds (distance) P-C4' energy: -16.445 flat angles C4'-P-C4' energy: -16.202 flat angles P-C4'-P energy: -13.180 tors. eta vs tors. theta energy: -11.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -137.166261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.166261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.166261 (E_RNA) where: Base-Base interactions energy: -74.577 where: short stacking energy: -72.853 Base-Backbone interact. energy: -0.112 local terms energy: -62.477111 where: bonds (distance) C4'-P energy: -15.138 bonds (distance) P-C4' energy: -14.057 flat angles C4'-P-C4' energy: -14.577 flat angles P-C4'-P energy: -11.304 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: 8, replica: 8 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -138.091458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.091458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.091458 (E_RNA) where: Base-Base interactions energy: -64.487 where: short stacking energy: -65.587 Base-Backbone interact. energy: -0.023 local terms energy: -73.581986 where: bonds (distance) C4'-P energy: -19.582 bonds (distance) P-C4' energy: -20.097 flat angles C4'-P-C4' energy: -15.616 flat angles P-C4'-P energy: -8.731 tors. eta vs tors. theta energy: -9.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -122.696707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.696707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.696707 (E_RNA) where: Base-Base interactions energy: -57.667 where: short stacking energy: -57.667 Base-Backbone interact. energy: -0.121 local terms energy: -64.908977 where: bonds (distance) C4'-P energy: -15.628 bonds (distance) P-C4' energy: -17.954 flat angles C4'-P-C4' energy: -13.487 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: -10.630 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: 10, replica: 4 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -109.500446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.500446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.500446 (E_RNA) where: Base-Base interactions energy: -49.144 where: short stacking energy: -48.594 Base-Backbone interact. energy: -0.463 local terms energy: -59.893569 where: bonds (distance) C4'-P energy: -18.484 bonds (distance) P-C4' energy: -9.848 flat angles C4'-P-C4' energy: -18.435 flat angles P-C4'-P energy: -10.854 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: 1 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -216.675997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.675997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.675997 (E_RNA) where: Base-Base interactions energy: -121.376 where: short stacking energy: -121.376 Base-Backbone interact. energy: -0.244 local terms energy: -95.056470 where: bonds (distance) C4'-P energy: -16.144 bonds (distance) P-C4' energy: -15.045 flat angles C4'-P-C4' energy: -18.701 flat angles P-C4'-P energy: -17.503 tors. eta vs tors. theta energy: -27.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -200.741486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.741486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.741486 (E_RNA) where: Base-Base interactions energy: -107.467 where: short stacking energy: -107.467 Base-Backbone interact. energy: -0.811 local terms energy: -92.463324 where: bonds (distance) C4'-P energy: -18.417 bonds (distance) P-C4' energy: -20.871 flat angles C4'-P-C4' energy: -20.078 flat angles P-C4'-P energy: -10.541 tors. eta vs tors. theta energy: -22.556 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: 6 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -199.629348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.629348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.629348 (E_RNA) where: Base-Base interactions energy: -109.447 where: short stacking energy: -105.202 Base-Backbone interact. energy: -0.111 local terms energy: -90.071396 where: bonds (distance) C4'-P energy: -15.810 bonds (distance) P-C4' energy: -16.984 flat angles C4'-P-C4' energy: -18.133 flat angles P-C4'-P energy: -15.576 tors. eta vs tors. theta energy: -23.570 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: 4, replica: 10 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -164.677036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.677036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.677036 (E_RNA) where: Base-Base interactions energy: -83.026 where: short stacking energy: -83.026 Base-Backbone interact. energy: -0.109 local terms energy: -81.541731 where: bonds (distance) C4'-P energy: -18.728 bonds (distance) P-C4' energy: -10.842 flat angles C4'-P-C4' energy: -17.617 flat angles P-C4'-P energy: -16.014 tors. eta vs tors. theta energy: -18.342 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: 5 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -180.281845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.281845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.281845 (E_RNA) where: Base-Base interactions energy: -101.752 where: short stacking energy: -101.752 Base-Backbone interact. energy: -0.065 local terms energy: -78.464623 where: bonds (distance) C4'-P energy: -17.057 bonds (distance) P-C4' energy: -16.069 flat angles C4'-P-C4' energy: -14.198 flat angles P-C4'-P energy: -11.062 tors. eta vs tors. theta energy: -20.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -160.734213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.734213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.734213 (E_RNA) where: Base-Base interactions energy: -78.352 where: short stacking energy: -78.352 Base-Backbone interact. energy: -0.096 local terms energy: -82.285707 where: bonds (distance) C4'-P energy: -20.446 bonds (distance) P-C4' energy: -14.942 flat angles C4'-P-C4' energy: -17.538 flat angles P-C4'-P energy: -11.815 tors. eta vs tors. theta energy: -17.545 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: 3 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -146.597374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.597374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.597374 (E_RNA) where: Base-Base interactions energy: -75.432 where: short stacking energy: -75.585 Base-Backbone interact. energy: 0.043 local terms energy: -71.207858 where: bonds (distance) C4'-P energy: -12.478 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -19.573 flat angles P-C4'-P energy: -9.885 tors. eta vs tors. theta energy: -17.100 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: 8 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -141.638126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.638126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.638126 (E_RNA) where: Base-Base interactions energy: -75.858 where: short stacking energy: -75.858 Base-Backbone interact. energy: 0.464 local terms energy: -66.243313 where: bonds (distance) C4'-P energy: -11.190 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -16.238 flat angles P-C4'-P energy: -7.969 tors. eta vs tors. theta energy: -16.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -121.470015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.470015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.470015 (E_RNA) where: Base-Base interactions energy: -55.288 where: short stacking energy: -54.549 Base-Backbone interact. energy: -0.944 local terms energy: -65.237293 where: bonds (distance) C4'-P energy: -15.810 bonds (distance) P-C4' energy: -16.150 flat angles C4'-P-C4' energy: -18.745 flat angles P-C4'-P energy: -8.180 tors. eta vs tors. theta energy: -6.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -121.756780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.756780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.756780 (E_RNA) where: Base-Base interactions energy: -60.718 where: short stacking energy: -58.698 Base-Backbone interact. energy: -0.085 local terms energy: -60.954419 where: bonds (distance) C4'-P energy: -10.516 bonds (distance) P-C4' energy: -17.082 flat angles C4'-P-C4' energy: -10.882 flat angles P-C4'-P energy: -12.044 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: 1, replica: 1 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -225.254469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.254469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.254469 (E_RNA) where: Base-Base interactions energy: -125.750 where: short stacking energy: -124.129 Base-Backbone interact. energy: -0.089 local terms energy: -99.415423 where: bonds (distance) C4'-P energy: -19.437 bonds (distance) P-C4' energy: -19.942 flat angles C4'-P-C4' energy: -19.249 flat angles P-C4'-P energy: -11.779 tors. eta vs tors. theta energy: -29.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -204.641572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.641572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.641572 (E_RNA) where: Base-Base interactions energy: -114.487 where: short stacking energy: -114.487 Base-Backbone interact. energy: -0.171 local terms energy: -89.983956 where: bonds (distance) C4'-P energy: -17.483 bonds (distance) P-C4' energy: -12.959 flat angles C4'-P-C4' energy: -20.038 flat angles P-C4'-P energy: -11.861 tors. eta vs tors. theta energy: -27.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -209.400440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.400440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.400440 (E_RNA) where: Base-Base interactions energy: -114.621 where: short stacking energy: -114.621 Base-Backbone interact. energy: -0.000 local terms energy: -94.779504 where: bonds (distance) C4'-P energy: -18.020 bonds (distance) P-C4' energy: -19.411 flat angles C4'-P-C4' energy: -19.874 flat angles P-C4'-P energy: -10.695 tors. eta vs tors. theta energy: -26.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -172.387077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.387077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.387077 (E_RNA) where: Base-Base interactions energy: -91.922 where: short stacking energy: -91.922 Base-Backbone interact. energy: -0.119 local terms energy: -80.346299 where: bonds (distance) C4'-P energy: -17.683 bonds (distance) P-C4' energy: -11.760 flat angles C4'-P-C4' energy: -18.149 flat angles P-C4'-P energy: -11.443 tors. eta vs tors. theta energy: -21.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -175.802485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.802485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.802485 (E_RNA) where: Base-Base interactions energy: -92.975 where: short stacking energy: -92.975 Base-Backbone interact. energy: -0.083 local terms energy: -82.744297 where: bonds (distance) C4'-P energy: -17.482 bonds (distance) P-C4' energy: -19.122 flat angles C4'-P-C4' energy: -16.407 flat angles P-C4'-P energy: -13.195 tors. eta vs tors. theta energy: -16.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -158.989039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.989039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.989039 (E_RNA) where: Base-Base interactions energy: -81.559 where: short stacking energy: -81.559 Base-Backbone interact. energy: -0.204 local terms energy: -77.226448 where: bonds (distance) C4'-P energy: -15.185 bonds (distance) P-C4' energy: -19.130 flat angles C4'-P-C4' energy: -15.896 flat angles P-C4'-P energy: -9.981 tors. eta vs tors. theta energy: -17.034 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: 3 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -137.036506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.036506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.036506 (E_RNA) where: Base-Base interactions energy: -69.156 where: short stacking energy: -69.156 Base-Backbone interact. energy: 0.615 local terms energy: -68.496072 where: bonds (distance) C4'-P energy: -16.365 bonds (distance) P-C4' energy: -12.611 flat angles C4'-P-C4' energy: -14.282 flat angles P-C4'-P energy: -11.372 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: 8, replica: 8 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -139.036611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.036611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.036611 (E_RNA) where: Base-Base interactions energy: -63.011 where: short stacking energy: -63.011 Base-Backbone interact. energy: -0.149 local terms energy: -75.876618 where: bonds (distance) C4'-P energy: -13.773 bonds (distance) P-C4' energy: -17.368 flat angles C4'-P-C4' energy: -17.517 flat angles P-C4'-P energy: -13.988 tors. eta vs tors. theta energy: -13.230 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: 7 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -123.542425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.542425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.542425 (E_RNA) where: Base-Base interactions energy: -57.399 where: short stacking energy: -57.399 Base-Backbone interact. energy: -0.016 local terms energy: -66.127314 where: bonds (distance) C4'-P energy: -21.031 bonds (distance) P-C4' energy: -17.790 flat angles C4'-P-C4' energy: -13.698 flat angles P-C4'-P energy: -8.644 tors. eta vs tors. theta energy: -4.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -117.898118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.898118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.898118 (E_RNA) where: Base-Base interactions energy: -62.352 where: short stacking energy: -61.867 Base-Backbone interact. energy: -0.226 local terms energy: -55.320031 where: bonds (distance) C4'-P energy: -8.135 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -15.216 flat angles P-C4'-P energy: -11.605 tors. eta vs tors. theta energy: -7.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -208.236777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.236777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.236777 (E_RNA) where: Base-Base interactions energy: -110.936 where: short stacking energy: -110.936 Base-Backbone interact. energy: 1.772 local terms energy: -99.072879 where: bonds (distance) C4'-P energy: -17.194 bonds (distance) P-C4' energy: -21.345 flat angles C4'-P-C4' energy: -22.689 flat angles P-C4'-P energy: -13.571 tors. eta vs tors. theta energy: -24.274 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: 6 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -217.778748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.778748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.778748 (E_RNA) where: Base-Base interactions energy: -116.308 where: short stacking energy: -116.308 Base-Backbone interact. energy: -0.001 local terms energy: -101.469998 where: bonds (distance) C4'-P energy: -18.910 bonds (distance) P-C4' energy: -17.787 flat angles C4'-P-C4' energy: -20.681 flat angles P-C4'-P energy: -15.787 tors. eta vs tors. theta energy: -28.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -202.770397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.770397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.770397 (E_RNA) where: Base-Base interactions energy: -112.465 where: short stacking energy: -112.465 Base-Backbone interact. energy: -0.000 local terms energy: -90.305575 where: bonds (distance) C4'-P energy: -15.813 bonds (distance) P-C4' energy: -18.483 flat angles C4'-P-C4' energy: -20.352 flat angles P-C4'-P energy: -10.446 tors. eta vs tors. theta energy: -25.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -160.132778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.132778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.132778 (E_RNA) where: Base-Base interactions energy: -87.659 where: short stacking energy: -86.988 Base-Backbone interact. energy: -0.225 local terms energy: -72.248938 where: bonds (distance) C4'-P energy: -12.638 bonds (distance) P-C4' energy: -18.234 flat angles C4'-P-C4' energy: -17.997 flat angles P-C4'-P energy: -9.023 tors. eta vs tors. theta energy: -14.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -174.005858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.005858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.005858 (E_RNA) where: Base-Base interactions energy: -92.105 where: short stacking energy: -92.105 Base-Backbone interact. energy: -0.005 local terms energy: -81.895665 where: bonds (distance) C4'-P energy: -16.990 bonds (distance) P-C4' energy: -19.090 flat angles C4'-P-C4' energy: -15.526 flat angles P-C4'-P energy: -10.050 tors. eta vs tors. theta energy: -20.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -146.824046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.824046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.824046 (E_RNA) where: Base-Base interactions energy: -72.481 where: short stacking energy: -72.481 Base-Backbone interact. energy: -0.040 local terms energy: -74.302836 where: bonds (distance) C4'-P energy: -13.731 bonds (distance) P-C4' energy: -19.320 flat angles C4'-P-C4' energy: -18.045 flat angles P-C4'-P energy: -8.140 tors. eta vs tors. theta energy: -15.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -148.559222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.559222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.559222 (E_RNA) where: Base-Base interactions energy: -81.396 where: short stacking energy: -81.396 Base-Backbone interact. energy: -0.264 local terms energy: -66.899124 where: bonds (distance) C4'-P energy: -17.521 bonds (distance) P-C4' energy: -15.622 flat angles C4'-P-C4' energy: -9.918 flat angles P-C4'-P energy: -12.778 tors. eta vs tors. theta energy: -11.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -125.431025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.431025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.431025 (E_RNA) where: Base-Base interactions energy: -55.082 where: short stacking energy: -54.894 Base-Backbone interact. energy: -0.004 local terms energy: -70.345206 where: bonds (distance) C4'-P energy: -14.952 bonds (distance) P-C4' energy: -19.006 flat angles C4'-P-C4' energy: -15.372 flat angles P-C4'-P energy: -8.388 tors. eta vs tors. theta energy: -12.629 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: 4 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -126.979344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.979344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.979344 (E_RNA) where: Base-Base interactions energy: -53.973 where: short stacking energy: -53.973 Base-Backbone interact. energy: -0.430 local terms energy: -72.576886 where: bonds (distance) C4'-P energy: -16.999 bonds (distance) P-C4' energy: -16.565 flat angles C4'-P-C4' energy: -17.669 flat angles P-C4'-P energy: -11.928 tors. eta vs tors. theta energy: -9.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -110.023301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.023301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.023301 (E_RNA) where: Base-Base interactions energy: -54.003 where: short stacking energy: -54.003 Base-Backbone interact. energy: -0.201 local terms energy: -55.819193 where: bonds (distance) C4'-P energy: -4.829 bonds (distance) P-C4' energy: -20.305 flat angles C4'-P-C4' energy: -14.229 flat angles P-C4'-P energy: -10.510 tors. eta vs tors. theta energy: -5.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -202.576663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.576663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.576663 (E_RNA) where: Base-Base interactions energy: -105.263 where: short stacking energy: -105.263 Base-Backbone interact. energy: -0.209 local terms energy: -97.104502 where: bonds (distance) C4'-P energy: -17.929 bonds (distance) P-C4' energy: -18.911 flat angles C4'-P-C4' energy: -20.718 flat angles P-C4'-P energy: -13.928 tors. eta vs tors. theta energy: -25.619 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: 6 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -210.590394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.590394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.590394 (E_RNA) where: Base-Base interactions energy: -110.380 where: short stacking energy: -110.380 Base-Backbone interact. energy: -0.000 local terms energy: -100.210119 where: bonds (distance) C4'-P energy: -19.002 bonds (distance) P-C4' energy: -17.935 flat angles C4'-P-C4' energy: -22.379 flat angles P-C4'-P energy: -12.939 tors. eta vs tors. theta energy: -27.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -197.217284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.217284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.217284 (E_RNA) where: Base-Base interactions energy: -111.029 where: short stacking energy: -111.029 Base-Backbone interact. energy: -0.321 local terms energy: -85.867538 where: bonds (distance) C4'-P energy: -14.068 bonds (distance) P-C4' energy: -14.995 flat angles C4'-P-C4' energy: -19.670 flat angles P-C4'-P energy: -11.757 tors. eta vs tors. theta energy: -25.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -186.130426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.130426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.130426 (E_RNA) where: Base-Base interactions energy: -98.620 where: short stacking energy: -98.620 Base-Backbone interact. energy: -0.081 local terms energy: -87.429264 where: bonds (distance) C4'-P energy: -16.320 bonds (distance) P-C4' energy: -14.915 flat angles C4'-P-C4' energy: -16.596 flat angles P-C4'-P energy: -15.488 tors. eta vs tors. theta energy: -24.111 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: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -166.433643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.433643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.433643 (E_RNA) where: Base-Base interactions energy: -87.944 where: short stacking energy: -87.944 Base-Backbone interact. energy: -0.089 local terms energy: -78.401044 where: bonds (distance) C4'-P energy: -18.124 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -18.352 flat angles P-C4'-P energy: -12.793 tors. eta vs tors. theta energy: -14.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -127.198533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.198533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.198533 (E_RNA) where: Base-Base interactions energy: -55.790 where: short stacking energy: -55.338 Base-Backbone interact. energy: -0.753 local terms energy: -70.655401 where: bonds (distance) C4'-P energy: -15.197 bonds (distance) P-C4' energy: -20.144 flat angles C4'-P-C4' energy: -15.853 flat angles P-C4'-P energy: -10.467 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: 10 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -126.039094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.039094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.039094 (E_RNA) where: Base-Base interactions energy: -56.324 where: short stacking energy: -56.324 Base-Backbone interact. energy: -1.124 local terms energy: -68.590954 where: bonds (distance) C4'-P energy: -18.649 bonds (distance) P-C4' energy: -18.351 flat angles C4'-P-C4' energy: -19.141 flat angles P-C4'-P energy: -8.816 tors. eta vs tors. theta energy: -3.634 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: 4 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -126.987734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.987734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.987734 (E_RNA) where: Base-Base interactions energy: -57.913 where: short stacking energy: -57.256 Base-Backbone interact. energy: -0.409 local terms energy: -68.665712 where: bonds (distance) C4'-P energy: -10.022 bonds (distance) P-C4' energy: -19.801 flat angles C4'-P-C4' energy: -19.445 flat angles P-C4'-P energy: -10.118 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: 9, replica: 3 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -126.397508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.397508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.397508 (E_RNA) where: Base-Base interactions energy: -69.259 where: short stacking energy: -69.259 Base-Backbone interact. energy: -0.020 local terms energy: -57.118625 where: bonds (distance) C4'-P energy: -12.688 bonds (distance) P-C4' energy: -15.543 flat angles C4'-P-C4' energy: -16.745 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -8.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -119.295818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.295818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.295818 (E_RNA) where: Base-Base interactions energy: -54.363 where: short stacking energy: -54.363 Base-Backbone interact. energy: -0.018 local terms energy: -64.915163 where: bonds (distance) C4'-P energy: -13.164 bonds (distance) P-C4' energy: -17.415 flat angles C4'-P-C4' energy: -15.191 flat angles P-C4'-P energy: -11.460 tors. eta vs tors. theta energy: -7.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -224.256432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.256432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.256432 (E_RNA) where: Base-Base interactions energy: -127.535 where: short stacking energy: -127.535 Base-Backbone interact. energy: -0.000 local terms energy: -96.720954 where: bonds (distance) C4'-P energy: -16.363 bonds (distance) P-C4' energy: -16.895 flat angles C4'-P-C4' energy: -21.417 flat angles P-C4'-P energy: -12.519 tors. eta vs tors. theta energy: -29.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -194.209907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.209907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.209907 (E_RNA) where: Base-Base interactions energy: -104.587 where: short stacking energy: -104.587 Base-Backbone interact. energy: 0.607 local terms energy: -90.230127 where: bonds (distance) C4'-P energy: -17.688 bonds (distance) P-C4' energy: -19.905 flat angles C4'-P-C4' energy: -17.734 flat angles P-C4'-P energy: -11.463 tors. eta vs tors. theta energy: -23.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -188.113337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.113337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.113337 (E_RNA) where: Base-Base interactions energy: -90.599 where: short stacking energy: -90.599 Base-Backbone interact. energy: -0.055 local terms energy: -97.460022 where: bonds (distance) C4'-P energy: -18.314 bonds (distance) P-C4' energy: -22.698 flat angles C4'-P-C4' energy: -21.459 flat angles P-C4'-P energy: -12.204 tors. eta vs tors. theta energy: -22.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -184.513152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.513152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.513152 (E_RNA) where: Base-Base interactions energy: -102.542 where: short stacking energy: -102.542 Base-Backbone interact. energy: -0.001 local terms energy: -81.970601 where: bonds (distance) C4'-P energy: -14.299 bonds (distance) P-C4' energy: -14.226 flat angles C4'-P-C4' energy: -20.485 flat angles P-C4'-P energy: -11.716 tors. eta vs tors. theta energy: -21.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -140.499427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.499427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.499427 (E_RNA) where: Base-Base interactions energy: -65.416 where: short stacking energy: -65.416 Base-Backbone interact. energy: -0.608 local terms energy: -74.475219 where: bonds (distance) C4'-P energy: -17.984 bonds (distance) P-C4' energy: -16.746 flat angles C4'-P-C4' energy: -18.527 flat angles P-C4'-P energy: -11.006 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: 6, replica: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -159.125449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.125449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.125449 (E_RNA) where: Base-Base interactions energy: -86.475 where: short stacking energy: -84.743 Base-Backbone interact. energy: 0.123 local terms energy: -72.773370 where: bonds (distance) C4'-P energy: -18.243 bonds (distance) P-C4' energy: -17.130 flat angles C4'-P-C4' energy: -13.728 flat angles P-C4'-P energy: -12.327 tors. eta vs tors. theta energy: -11.346 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: 4 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -132.847429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.847429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.847429 (E_RNA) where: Base-Base interactions energy: -62.516 where: short stacking energy: -61.866 Base-Backbone interact. energy: 2.279 local terms energy: -72.610691 where: bonds (distance) C4'-P energy: -16.856 bonds (distance) P-C4' energy: -17.728 flat angles C4'-P-C4' energy: -11.786 flat angles P-C4'-P energy: -14.529 tors. eta vs tors. theta energy: -11.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -133.419883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.419883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.419883 (E_RNA) where: Base-Base interactions energy: -66.472 where: short stacking energy: -66.472 Base-Backbone interact. energy: -0.103 local terms energy: -66.845111 where: bonds (distance) C4'-P energy: -13.934 bonds (distance) P-C4' energy: -16.989 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -13.867 tors. eta vs tors. theta energy: -15.615 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: 7 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -133.229505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.229505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.229505 (E_RNA) where: Base-Base interactions energy: -65.706 where: short stacking energy: -65.706 Base-Backbone interact. energy: 0.519 local terms energy: -68.042074 where: bonds (distance) C4'-P energy: -16.687 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -17.231 flat angles P-C4'-P energy: -9.285 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: 10, replica: 3 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -107.461293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.461293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.461293 (E_RNA) where: Base-Base interactions energy: -57.529 where: short stacking energy: -57.135 Base-Backbone interact. energy: -0.383 local terms energy: -49.549802 where: bonds (distance) C4'-P energy: -14.365 bonds (distance) P-C4' energy: -14.409 flat angles C4'-P-C4' energy: -12.763 flat angles P-C4'-P energy: -9.144 tors. eta vs tors. theta energy: 1.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -212.801022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.801022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.801022 (E_RNA) where: Base-Base interactions energy: -115.632 where: short stacking energy: -115.632 Base-Backbone interact. energy: -0.000 local terms energy: -97.169036 where: bonds (distance) C4'-P energy: -18.024 bonds (distance) P-C4' energy: -19.787 flat angles C4'-P-C4' energy: -21.695 flat angles P-C4'-P energy: -13.720 tors. eta vs tors. theta energy: -23.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -204.884640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.884640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.884640 (E_RNA) where: Base-Base interactions energy: -112.922 where: short stacking energy: -112.922 Base-Backbone interact. energy: -0.000 local terms energy: -91.962169 where: bonds (distance) C4'-P energy: -16.045 bonds (distance) P-C4' energy: -16.741 flat angles C4'-P-C4' energy: -19.761 flat angles P-C4'-P energy: -12.951 tors. eta vs tors. theta energy: -26.464 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: 9 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -186.131962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.131962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.131962 (E_RNA) where: Base-Base interactions energy: -97.927 where: short stacking energy: -97.927 Base-Backbone interact. energy: -0.010 local terms energy: -88.194220 where: bonds (distance) C4'-P energy: -20.318 bonds (distance) P-C4' energy: -21.364 flat angles C4'-P-C4' energy: -18.604 flat angles P-C4'-P energy: -9.742 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: 4, replica: 8 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -153.401870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.401870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.401870 (E_RNA) where: Base-Base interactions energy: -76.804 where: short stacking energy: -70.740 Base-Backbone interact. energy: -0.015 local terms energy: -76.582316 where: bonds (distance) C4'-P energy: -14.485 bonds (distance) P-C4' energy: -17.433 flat angles C4'-P-C4' energy: -18.625 flat angles P-C4'-P energy: -13.277 tors. eta vs tors. theta energy: -12.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -156.349638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.349638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.349638 (E_RNA) where: Base-Base interactions energy: -82.586 where: short stacking energy: -82.586 Base-Backbone interact. energy: -0.092 local terms energy: -73.671053 where: bonds (distance) C4'-P energy: -15.091 bonds (distance) P-C4' energy: -17.197 flat angles C4'-P-C4' energy: -14.440 flat angles P-C4'-P energy: -10.576 tors. eta vs tors. theta energy: -16.368 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: 4 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -134.479633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.479633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.479633 (E_RNA) where: Base-Base interactions energy: -67.854 where: short stacking energy: -67.854 Base-Backbone interact. energy: -0.546 local terms energy: -66.079721 where: bonds (distance) C4'-P energy: -10.210 bonds (distance) P-C4' energy: -19.366 flat angles C4'-P-C4' energy: -16.920 flat angles P-C4'-P energy: -10.255 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: 7, replica: 5 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -148.718048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.718048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.718048 (E_RNA) where: Base-Base interactions energy: -81.066 where: short stacking energy: -81.066 Base-Backbone interact. energy: -0.036 local terms energy: -67.615862 where: bonds (distance) C4'-P energy: -18.949 bonds (distance) P-C4' energy: -7.168 flat angles C4'-P-C4' energy: -20.659 flat angles P-C4'-P energy: -9.102 tors. eta vs tors. theta energy: -11.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -133.313172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.313172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.313172 (E_RNA) where: Base-Base interactions energy: -61.724 where: short stacking energy: -61.724 Base-Backbone interact. energy: 0.952 local terms energy: -72.541555 where: bonds (distance) C4'-P energy: -20.016 bonds (distance) P-C4' energy: -15.456 flat angles C4'-P-C4' energy: -11.779 flat angles P-C4'-P energy: -13.428 tors. eta vs tors. theta energy: -11.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -115.557689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.557689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.557689 (E_RNA) where: Base-Base interactions energy: -51.172 where: short stacking energy: -51.172 Base-Backbone interact. energy: -0.799 local terms energy: -63.586166 where: bonds (distance) C4'-P energy: -11.388 bonds (distance) P-C4' energy: -18.824 flat angles C4'-P-C4' energy: -15.657 flat angles P-C4'-P energy: -10.278 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: 10, replica: 3 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -117.790335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.790335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.790335 (E_RNA) where: Base-Base interactions energy: -50.422 where: short stacking energy: -50.422 Base-Backbone interact. energy: 0.719 local terms energy: -68.087522 where: bonds (distance) C4'-P energy: -13.429 bonds (distance) P-C4' energy: -20.113 flat angles C4'-P-C4' energy: -16.972 flat angles P-C4'-P energy: -8.295 tors. eta vs tors. theta energy: -9.278 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: 6 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -224.191580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.191580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.191580 (E_RNA) where: Base-Base interactions energy: -126.503 where: short stacking energy: -126.503 Base-Backbone interact. energy: -0.725 local terms energy: -96.963826 where: bonds (distance) C4'-P energy: -16.539 bonds (distance) P-C4' energy: -15.744 flat angles C4'-P-C4' energy: -20.669 flat angles P-C4'-P energy: -13.819 tors. eta vs tors. theta energy: -30.192 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: 1 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -217.038804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.038804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.038804 (E_RNA) where: Base-Base interactions energy: -113.861 where: short stacking energy: -113.861 Base-Backbone interact. energy: -0.000 local terms energy: -103.178189 where: bonds (distance) C4'-P energy: -19.553 bonds (distance) P-C4' energy: -20.613 flat angles C4'-P-C4' energy: -21.022 flat angles P-C4'-P energy: -14.673 tors. eta vs tors. theta energy: -27.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -183.086249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.086249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.086249 (E_RNA) where: Base-Base interactions energy: -94.900 where: short stacking energy: -94.900 Base-Backbone interact. energy: -0.022 local terms energy: -88.164016 where: bonds (distance) C4'-P energy: -19.122 bonds (distance) P-C4' energy: -18.072 flat angles C4'-P-C4' energy: -21.203 flat angles P-C4'-P energy: -12.322 tors. eta vs tors. theta energy: -17.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -191.747960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.747960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.747960 (E_RNA) where: Base-Base interactions energy: -104.757 where: short stacking energy: -104.757 Base-Backbone interact. energy: -0.066 local terms energy: -86.924700 where: bonds (distance) C4'-P energy: -14.223 bonds (distance) P-C4' energy: -17.802 flat angles C4'-P-C4' energy: -18.707 flat angles P-C4'-P energy: -11.950 tors. eta vs tors. theta energy: -24.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -161.886561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.886561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.886561 (E_RNA) where: Base-Base interactions energy: -80.141 where: short stacking energy: -80.141 Base-Backbone interact. energy: -0.045 local terms energy: -81.700271 where: bonds (distance) C4'-P energy: -15.864 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -19.465 flat angles P-C4'-P energy: -12.559 tors. eta vs tors. theta energy: -18.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -149.313617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.313617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.313617 (E_RNA) where: Base-Base interactions energy: -72.972 where: short stacking energy: -72.972 Base-Backbone interact. energy: -0.037 local terms energy: -76.303873 where: bonds (distance) C4'-P energy: -18.738 bonds (distance) P-C4' energy: -14.909 flat angles C4'-P-C4' energy: -17.051 flat angles P-C4'-P energy: -15.176 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: 7, replica: 7 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -129.294730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.294730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.294730 (E_RNA) where: Base-Base interactions energy: -53.331 where: short stacking energy: -53.331 Base-Backbone interact. energy: -0.114 local terms energy: -75.849926 where: bonds (distance) C4'-P energy: -13.777 bonds (distance) P-C4' energy: -20.542 flat angles C4'-P-C4' energy: -19.369 flat angles P-C4'-P energy: -9.857 tors. eta vs tors. theta energy: -12.304 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: 5 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -129.284871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.284871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.284871 (E_RNA) where: Base-Base interactions energy: -65.182 where: short stacking energy: -65.182 Base-Backbone interact. energy: -0.571 local terms energy: -63.532014 where: bonds (distance) C4'-P energy: -14.900 bonds (distance) P-C4' energy: -19.771 flat angles C4'-P-C4' energy: -14.164 flat angles P-C4'-P energy: -7.089 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: 9, replica: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -127.365170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.365170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.365170 (E_RNA) where: Base-Base interactions energy: -65.438 where: short stacking energy: -65.438 Base-Backbone interact. energy: -0.003 local terms energy: -61.924556 where: bonds (distance) C4'-P energy: -5.791 bonds (distance) P-C4' energy: -14.946 flat angles C4'-P-C4' energy: -17.984 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -16.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -102.705675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.705675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.705675 (E_RNA) where: Base-Base interactions energy: -48.549 where: short stacking energy: -48.354 Base-Backbone interact. energy: -0.170 local terms energy: -53.986972 where: bonds (distance) C4'-P energy: -13.178 bonds (distance) P-C4' energy: -15.499 flat angles C4'-P-C4' energy: -14.942 flat angles P-C4'-P energy: -7.872 tors. eta vs tors. theta energy: -2.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -225.298254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.298254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.298254 (E_RNA) where: Base-Base interactions energy: -120.630 where: short stacking energy: -120.630 Base-Backbone interact. energy: -0.000 local terms energy: -104.668326 where: bonds (distance) C4'-P energy: -18.516 bonds (distance) P-C4' energy: -21.433 flat angles C4'-P-C4' energy: -21.419 flat angles P-C4'-P energy: -14.687 tors. eta vs tors. theta energy: -28.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -221.662119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.662119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.662119 (E_RNA) where: Base-Base interactions energy: -117.695 where: short stacking energy: -117.695 Base-Backbone interact. energy: -0.000 local terms energy: -103.967051 where: bonds (distance) C4'-P energy: -19.400 bonds (distance) P-C4' energy: -17.587 flat angles C4'-P-C4' energy: -20.322 flat angles P-C4'-P energy: -16.141 tors. eta vs tors. theta energy: -30.518 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: 8 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -183.368295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.368295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.368295 (E_RNA) where: Base-Base interactions energy: -96.079 where: short stacking energy: -96.079 Base-Backbone interact. energy: -0.021 local terms energy: -87.267726 where: bonds (distance) C4'-P energy: -14.254 bonds (distance) P-C4' energy: -16.327 flat angles C4'-P-C4' energy: -20.453 flat angles P-C4'-P energy: -16.498 tors. eta vs tors. theta energy: -19.735 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: 4, replica: 9 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -198.498237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.498237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.498237 (E_RNA) where: Base-Base interactions energy: -105.963 where: short stacking energy: -105.963 Base-Backbone interact. energy: -0.001 local terms energy: -92.533868 where: bonds (distance) C4'-P energy: -16.856 bonds (distance) P-C4' energy: -18.404 flat angles C4'-P-C4' energy: -18.302 flat angles P-C4'-P energy: -12.636 tors. eta vs tors. theta energy: -26.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -165.049474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.049474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.049474 (E_RNA) where: Base-Base interactions energy: -77.373 where: short stacking energy: -77.373 Base-Backbone interact. energy: -0.007 local terms energy: -87.670165 where: bonds (distance) C4'-P energy: -19.876 bonds (distance) P-C4' energy: -17.961 flat angles C4'-P-C4' energy: -18.663 flat angles P-C4'-P energy: -12.162 tors. eta vs tors. theta energy: -19.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -153.056465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.056465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.056465 (E_RNA) where: Base-Base interactions energy: -82.177 where: short stacking energy: -82.063 Base-Backbone interact. energy: 0.232 local terms energy: -71.111673 where: bonds (distance) C4'-P energy: -10.425 bonds (distance) P-C4' energy: -14.005 flat angles C4'-P-C4' energy: -16.960 flat angles P-C4'-P energy: -11.041 tors. eta vs tors. theta energy: -18.681 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: 7 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -135.960231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.960231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.960231 (E_RNA) where: Base-Base interactions energy: -66.461 where: short stacking energy: -66.461 Base-Backbone interact. energy: -0.065 local terms energy: -69.434157 where: bonds (distance) C4'-P energy: -19.904 bonds (distance) P-C4' energy: -9.900 flat angles C4'-P-C4' energy: -17.134 flat angles P-C4'-P energy: -12.555 tors. eta vs tors. theta energy: -9.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -139.532431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.532431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.532431 (E_RNA) where: Base-Base interactions energy: -75.989 where: short stacking energy: -75.989 Base-Backbone interact. energy: 1.060 local terms energy: -64.603449 where: bonds (distance) C4'-P energy: -13.214 bonds (distance) P-C4' energy: -12.630 flat angles C4'-P-C4' energy: -13.676 flat angles P-C4'-P energy: -11.911 tors. eta vs tors. theta energy: -13.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -121.869595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.869595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.869595 (E_RNA) where: Base-Base interactions energy: -66.535 where: short stacking energy: -62.530 Base-Backbone interact. energy: -0.224 local terms energy: -55.110479 where: bonds (distance) C4'-P energy: -15.433 bonds (distance) P-C4' energy: -10.111 flat angles C4'-P-C4' energy: -14.590 flat angles P-C4'-P energy: -6.535 tors. eta vs tors. theta energy: -8.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -144.572737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.572737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.572737 (E_RNA) where: Base-Base interactions energy: -67.498 where: short stacking energy: -63.097 Base-Backbone interact. energy: -0.544 local terms energy: -76.530539 where: bonds (distance) C4'-P energy: -18.559 bonds (distance) P-C4' energy: -15.849 flat angles C4'-P-C4' energy: -19.896 flat angles P-C4'-P energy: -13.143 tors. eta vs tors. theta energy: -9.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -207.422991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.422991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.422991 (E_RNA) where: Base-Base interactions energy: -109.827 where: short stacking energy: -109.827 Base-Backbone interact. energy: -0.005 local terms energy: -97.590173 where: bonds (distance) C4'-P energy: -17.015 bonds (distance) P-C4' energy: -21.070 flat angles C4'-P-C4' energy: -20.741 flat angles P-C4'-P energy: -12.719 tors. eta vs tors. theta energy: -26.045 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: 6 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -213.158792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.158792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.158792 (E_RNA) where: Base-Base interactions energy: -121.962 where: short stacking energy: -121.962 Base-Backbone interact. energy: -0.000 local terms energy: -91.196401 where: bonds (distance) C4'-P energy: -10.573 bonds (distance) P-C4' energy: -20.148 flat angles C4'-P-C4' energy: -19.165 flat angles P-C4'-P energy: -11.310 tors. eta vs tors. theta energy: -30.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -191.568347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.568347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.568347 (E_RNA) where: Base-Base interactions energy: -100.592 where: short stacking energy: -100.592 Base-Backbone interact. energy: -0.445 local terms energy: -90.530615 where: bonds (distance) C4'-P energy: -14.149 bonds (distance) P-C4' energy: -21.605 flat angles C4'-P-C4' energy: -19.627 flat angles P-C4'-P energy: -11.764 tors. eta vs tors. theta energy: -23.386 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: 9 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -189.426058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.426058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.426058 (E_RNA) where: Base-Base interactions energy: -98.623 where: short stacking energy: -98.623 Base-Backbone interact. energy: -0.048 local terms energy: -90.754747 where: bonds (distance) C4'-P energy: -20.723 bonds (distance) P-C4' energy: -22.653 flat angles C4'-P-C4' energy: -17.728 flat angles P-C4'-P energy: -7.675 tors. eta vs tors. theta energy: -21.975 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: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -163.500653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.500653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.500653 (E_RNA) where: Base-Base interactions energy: -84.552 where: short stacking energy: -84.552 Base-Backbone interact. energy: -0.010 local terms energy: -78.938780 where: bonds (distance) C4'-P energy: -14.804 bonds (distance) P-C4' energy: -21.221 flat angles C4'-P-C4' energy: -16.360 flat angles P-C4'-P energy: -11.791 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: 6, replica: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -143.494079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.494079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.494079 (E_RNA) where: Base-Base interactions energy: -65.873 where: short stacking energy: -65.873 Base-Backbone interact. energy: 0.037 local terms energy: -77.657678 where: bonds (distance) C4'-P energy: -17.763 bonds (distance) P-C4' energy: -18.944 flat angles C4'-P-C4' energy: -18.043 flat angles P-C4'-P energy: -11.755 tors. eta vs tors. theta energy: -11.153 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: 7, replica: 5 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -160.843426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.843426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.843426 (E_RNA) where: Base-Base interactions energy: -75.828 where: short stacking energy: -75.633 Base-Backbone interact. energy: -0.039 local terms energy: -84.976354 where: bonds (distance) C4'-P energy: -19.512 bonds (distance) P-C4' energy: -20.197 flat angles C4'-P-C4' energy: -17.345 flat angles P-C4'-P energy: -12.075 tors. eta vs tors. theta energy: -15.848 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: 7 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -147.840101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.840101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.840101 (E_RNA) where: Base-Base interactions energy: -72.820 where: short stacking energy: -72.820 Base-Backbone interact. energy: -0.015 local terms energy: -75.004415 where: bonds (distance) C4'-P energy: -13.508 bonds (distance) P-C4' energy: -18.805 flat angles C4'-P-C4' energy: -14.489 flat angles P-C4'-P energy: -10.010 tors. eta vs tors. theta energy: -18.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -116.674227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.674227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.674227 (E_RNA) where: Base-Base interactions energy: -59.316 where: short stacking energy: -56.799 Base-Backbone interact. energy: 1.673 local terms energy: -59.031414 where: bonds (distance) C4'-P energy: -12.085 bonds (distance) P-C4' energy: -21.113 flat angles C4'-P-C4' energy: -9.924 flat angles P-C4'-P energy: -12.025 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -111.598711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.598711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.598711 (E_RNA) where: Base-Base interactions energy: -41.492 where: short stacking energy: -41.492 Base-Backbone interact. energy: -0.010 local terms energy: -70.096807 where: bonds (distance) C4'-P energy: -16.518 bonds (distance) P-C4' energy: -17.496 flat angles C4'-P-C4' energy: -16.954 flat angles P-C4'-P energy: -10.677 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: 1, replica: 1 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -207.081496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.081496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.081496 (E_RNA) where: Base-Base interactions energy: -111.812 where: short stacking energy: -111.812 Base-Backbone interact. energy: -0.010 local terms energy: -95.259456 where: bonds (distance) C4'-P energy: -17.661 bonds (distance) P-C4' energy: -19.132 flat angles C4'-P-C4' energy: -23.090 flat angles P-C4'-P energy: -10.725 tors. eta vs tors. theta energy: -24.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -195.357170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.357170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.357170 (E_RNA) where: Base-Base interactions energy: -99.539 where: short stacking energy: -99.539 Base-Backbone interact. energy: -0.015 local terms energy: -95.802576 where: bonds (distance) C4'-P energy: -17.831 bonds (distance) P-C4' energy: -22.881 flat angles C4'-P-C4' energy: -18.280 flat angles P-C4'-P energy: -11.423 tors. eta vs tors. theta energy: -25.388 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: 159 Temperature: 1.000000 Total energy: -191.323369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.323369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.323369 (E_RNA) where: Base-Base interactions energy: -103.528 where: short stacking energy: -101.835 Base-Backbone interact. energy: 0.131 local terms energy: -87.926555 where: bonds (distance) C4'-P energy: -17.690 bonds (distance) P-C4' energy: -18.592 flat angles C4'-P-C4' energy: -18.987 flat angles P-C4'-P energy: -8.223 tors. eta vs tors. theta energy: -24.435 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: 9 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -181.660592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.660592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.660592 (E_RNA) where: Base-Base interactions energy: -101.955 where: short stacking energy: -101.955 Base-Backbone interact. energy: -0.171 local terms energy: -79.535448 where: bonds (distance) C4'-P energy: -13.807 bonds (distance) P-C4' energy: -16.542 flat angles C4'-P-C4' energy: -14.982 flat angles P-C4'-P energy: -12.365 tors. eta vs tors. theta energy: -21.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -167.655404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.655404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.655404 (E_RNA) where: Base-Base interactions energy: -86.280 where: short stacking energy: -86.280 Base-Backbone interact. energy: -0.043 local terms energy: -81.332030 where: bonds (distance) C4'-P energy: -14.553 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -16.419 flat angles P-C4'-P energy: -14.107 tors. eta vs tors. theta energy: -20.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -144.610113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.610113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.610113 (E_RNA) where: Base-Base interactions energy: -65.977 where: short stacking energy: -64.383 Base-Backbone interact. energy: -0.327 local terms energy: -78.306131 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -18.382 flat angles C4'-P-C4' energy: -19.459 flat angles P-C4'-P energy: -15.046 tors. eta vs tors. theta energy: -11.840 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: 2 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -134.183564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.183564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.183564 (E_RNA) where: Base-Base interactions energy: -62.457 where: short stacking energy: -60.517 Base-Backbone interact. energy: -0.289 local terms energy: -71.437867 where: bonds (distance) C4'-P energy: -14.945 bonds (distance) P-C4' energy: -16.182 flat angles C4'-P-C4' energy: -17.728 flat angles P-C4'-P energy: -11.090 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: 8, replica: 3 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -140.757284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.757284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.757284 (E_RNA) where: Base-Base interactions energy: -68.391 where: short stacking energy: -67.543 Base-Backbone interact. energy: 0.307 local terms energy: -72.674096 where: bonds (distance) C4'-P energy: -17.337 bonds (distance) P-C4' energy: -18.522 flat angles C4'-P-C4' energy: -18.667 flat angles P-C4'-P energy: -8.938 tors. eta vs tors. theta energy: -9.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -110.408402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.408402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.408402 (E_RNA) where: Base-Base interactions energy: -56.166 where: short stacking energy: -56.166 Base-Backbone interact. energy: -0.172 local terms energy: -54.070525 where: bonds (distance) C4'-P energy: -15.254 bonds (distance) P-C4' energy: -15.599 flat angles C4'-P-C4' energy: -6.924 flat angles P-C4'-P energy: -12.263 tors. eta vs tors. theta energy: -4.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -116.941705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.941705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.941705 (E_RNA) where: Base-Base interactions energy: -48.795 where: short stacking energy: -48.795 Base-Backbone interact. energy: 1.183 local terms energy: -69.329351 where: bonds (distance) C4'-P energy: -13.209 bonds (distance) P-C4' energy: -20.401 flat angles C4'-P-C4' energy: -11.497 flat angles P-C4'-P energy: -14.694 tors. eta vs tors. theta energy: -9.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -206.977355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.977355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.977355 (E_RNA) where: Base-Base interactions energy: -107.864 where: short stacking energy: -107.744 Base-Backbone interact. energy: -0.003 local terms energy: -99.110531 where: bonds (distance) C4'-P energy: -16.691 bonds (distance) P-C4' energy: -21.285 flat angles C4'-P-C4' energy: -21.630 flat angles P-C4'-P energy: -16.817 tors. eta vs tors. theta energy: -22.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -191.346209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.346209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.346209 (E_RNA) where: Base-Base interactions energy: -102.671 where: short stacking energy: -102.560 Base-Backbone interact. energy: -1.057 local terms energy: -87.618617 where: bonds (distance) C4'-P energy: -18.053 bonds (distance) P-C4' energy: -20.911 flat angles C4'-P-C4' energy: -15.691 flat angles P-C4'-P energy: -12.337 tors. eta vs tors. theta energy: -20.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -203.504245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.504245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.504245 (E_RNA) where: Base-Base interactions energy: -112.646 where: short stacking energy: -110.921 Base-Backbone interact. energy: -0.861 local terms energy: -89.997777 where: bonds (distance) C4'-P energy: -15.060 bonds (distance) P-C4' energy: -16.771 flat angles C4'-P-C4' energy: -19.883 flat angles P-C4'-P energy: -13.310 tors. eta vs tors. theta energy: -24.973 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: 4, replica: 9 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -188.438514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.438514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.438514 (E_RNA) where: Base-Base interactions energy: -100.862 where: short stacking energy: -100.862 Base-Backbone interact. energy: 0.341 local terms energy: -87.917548 where: bonds (distance) C4'-P energy: -16.552 bonds (distance) P-C4' energy: -15.981 flat angles C4'-P-C4' energy: -21.489 flat angles P-C4'-P energy: -13.145 tors. eta vs tors. theta energy: -20.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -178.756891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.756891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.756891 (E_RNA) where: Base-Base interactions energy: -99.302 where: short stacking energy: -98.646 Base-Backbone interact. energy: -0.120 local terms energy: -79.334483 where: bonds (distance) C4'-P energy: -17.361 bonds (distance) P-C4' energy: -14.764 flat angles C4'-P-C4' energy: -17.604 flat angles P-C4'-P energy: -11.367 tors. eta vs tors. theta energy: -18.238 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: 6, replica: 4 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -135.989102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.989102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.989102 (E_RNA) where: Base-Base interactions energy: -70.448 where: short stacking energy: -70.448 Base-Backbone interact. energy: -0.035 local terms energy: -65.506772 where: bonds (distance) C4'-P energy: -11.177 bonds (distance) P-C4' energy: -16.279 flat angles C4'-P-C4' energy: -16.153 flat angles P-C4'-P energy: -9.883 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: 7, replica: 3 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -144.947381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.947381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.947381 (E_RNA) where: Base-Base interactions energy: -72.158 where: short stacking energy: -72.158 Base-Backbone interact. energy: 0.040 local terms energy: -72.829709 where: bonds (distance) C4'-P energy: -18.580 bonds (distance) P-C4' energy: -13.720 flat angles C4'-P-C4' energy: -13.273 flat angles P-C4'-P energy: -11.389 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: 8, replica: 2 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -117.714118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.714118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.714118 (E_RNA) where: Base-Base interactions energy: -58.781 where: short stacking energy: -58.781 Base-Backbone interact. energy: -0.220 local terms energy: -58.712746 where: bonds (distance) C4'-P energy: -13.032 bonds (distance) P-C4' energy: -18.811 flat angles C4'-P-C4' energy: -18.055 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -4.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -114.016072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.016072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.016072 (E_RNA) where: Base-Base interactions energy: -48.745 where: short stacking energy: -47.010 Base-Backbone interact. energy: -0.259 local terms energy: -65.012287 where: bonds (distance) C4'-P energy: -13.363 bonds (distance) P-C4' energy: -19.100 flat angles C4'-P-C4' energy: -16.019 flat angles P-C4'-P energy: -12.217 tors. eta vs tors. theta energy: -4.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -111.162801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.162801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.162801 (E_RNA) where: Base-Base interactions energy: -52.261 where: short stacking energy: -52.261 Base-Backbone interact. energy: -0.281 local terms energy: -58.620918 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -16.019 flat angles C4'-P-C4' energy: -16.380 flat angles P-C4'-P energy: -9.358 tors. eta vs tors. theta energy: -4.524 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: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -205.288109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.288109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.288109 (E_RNA) where: Base-Base interactions energy: -110.175 where: short stacking energy: -110.175 Base-Backbone interact. energy: -0.054 local terms energy: -95.059050 where: bonds (distance) C4'-P energy: -17.044 bonds (distance) P-C4' energy: -19.108 flat angles C4'-P-C4' energy: -18.863 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -29.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -205.317002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.317002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.317002 (E_RNA) where: Base-Base interactions energy: -102.502 where: short stacking energy: -102.502 Base-Backbone interact. energy: -0.003 local terms energy: -102.811746 where: bonds (distance) C4'-P energy: -19.892 bonds (distance) P-C4' energy: -21.233 flat angles C4'-P-C4' energy: -21.182 flat angles P-C4'-P energy: -14.324 tors. eta vs tors. theta energy: -26.181 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: 3, replica: 8 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -206.165044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.165044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.165044 (E_RNA) where: Base-Base interactions energy: -107.838 where: short stacking energy: -107.820 Base-Backbone interact. energy: -0.000 local terms energy: -98.326867 where: bonds (distance) C4'-P energy: -18.093 bonds (distance) P-C4' energy: -19.185 flat angles C4'-P-C4' energy: -20.139 flat angles P-C4'-P energy: -13.497 tors. eta vs tors. theta energy: -27.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -194.927883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.927883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.927883 (E_RNA) where: Base-Base interactions energy: -99.911 where: short stacking energy: -99.911 Base-Backbone interact. energy: -0.029 local terms energy: -94.987957 where: bonds (distance) C4'-P energy: -16.192 bonds (distance) P-C4' energy: -18.216 flat angles C4'-P-C4' energy: -21.184 flat angles P-C4'-P energy: -16.209 tors. eta vs tors. theta energy: -23.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -149.872395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.872395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.872395 (E_RNA) where: Base-Base interactions energy: -72.516 where: short stacking energy: -72.516 Base-Backbone interact. energy: -0.206 local terms energy: -77.150112 where: bonds (distance) C4'-P energy: -18.758 bonds (distance) P-C4' energy: -14.569 flat angles C4'-P-C4' energy: -18.570 flat angles P-C4'-P energy: -13.062 tors. eta vs tors. theta energy: -12.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -154.936835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.936835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.936835 (E_RNA) where: Base-Base interactions energy: -82.138 where: short stacking energy: -82.138 Base-Backbone interact. energy: -0.043 local terms energy: -72.756415 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -12.518 flat angles C4'-P-C4' energy: -16.478 flat angles P-C4'-P energy: -13.728 tors. eta vs tors. theta energy: -17.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -150.195506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.195506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.195506 (E_RNA) where: Base-Base interactions energy: -75.666 where: short stacking energy: -75.666 Base-Backbone interact. energy: -0.786 local terms energy: -73.743659 where: bonds (distance) C4'-P energy: -15.649 bonds (distance) P-C4' energy: -15.023 flat angles C4'-P-C4' energy: -16.996 flat angles P-C4'-P energy: -12.815 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: 8, replica: 10 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -122.871553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.871553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.871553 (E_RNA) where: Base-Base interactions energy: -55.241 where: short stacking energy: -54.914 Base-Backbone interact. energy: -0.709 local terms energy: -66.921477 where: bonds (distance) C4'-P energy: -18.501 bonds (distance) P-C4' energy: -16.752 flat angles C4'-P-C4' energy: -14.021 flat angles P-C4'-P energy: -11.876 tors. eta vs tors. theta energy: -5.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -120.876386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.876386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.876386 (E_RNA) where: Base-Base interactions energy: -61.373 where: short stacking energy: -56.537 Base-Backbone interact. energy: -0.036 local terms energy: -59.466707 where: bonds (distance) C4'-P energy: -16.129 bonds (distance) P-C4' energy: -13.249 flat angles C4'-P-C4' energy: -15.525 flat angles P-C4'-P energy: -11.690 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: 10, replica: 7 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -125.924217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.924217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.924217 (E_RNA) where: Base-Base interactions energy: -53.502 where: short stacking energy: -53.502 Base-Backbone interact. energy: -0.152 local terms energy: -72.269848 where: bonds (distance) C4'-P energy: -15.422 bonds (distance) P-C4' energy: -18.848 flat angles C4'-P-C4' energy: -15.339 flat angles P-C4'-P energy: -7.911 tors. eta vs tors. theta energy: -14.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -208.618307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.618307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.618307 (E_RNA) where: Base-Base interactions energy: -113.872 where: short stacking energy: -113.872 Base-Backbone interact. energy: -0.001 local terms energy: -94.745069 where: bonds (distance) C4'-P energy: -16.793 bonds (distance) P-C4' energy: -18.157 flat angles C4'-P-C4' energy: -20.068 flat angles P-C4'-P energy: -13.329 tors. eta vs tors. theta energy: -26.397 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: 2, replica: 6 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -182.675591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.675591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.675591 (E_RNA) where: Base-Base interactions energy: -95.677 where: short stacking energy: -95.677 Base-Backbone interact. energy: -0.014 local terms energy: -86.984546 where: bonds (distance) C4'-P energy: -17.541 bonds (distance) P-C4' energy: -18.780 flat angles C4'-P-C4' energy: -17.876 flat angles P-C4'-P energy: -13.650 tors. eta vs tors. theta energy: -19.137 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: 9 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -184.013875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.013875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.013875 (E_RNA) where: Base-Base interactions energy: -93.361 where: short stacking energy: -93.361 Base-Backbone interact. energy: -0.133 local terms energy: -90.519172 where: bonds (distance) C4'-P energy: -19.711 bonds (distance) P-C4' energy: -19.259 flat angles C4'-P-C4' energy: -15.841 flat angles P-C4'-P energy: -14.874 tors. eta vs tors. theta energy: -20.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -188.949449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.949449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.949449 (E_RNA) where: Base-Base interactions energy: -92.857 where: short stacking energy: -92.857 Base-Backbone interact. energy: -0.110 local terms energy: -95.982800 where: bonds (distance) C4'-P energy: -18.009 bonds (distance) P-C4' energy: -20.456 flat angles C4'-P-C4' energy: -20.265 flat angles P-C4'-P energy: -12.821 tors. eta vs tors. theta energy: -24.432 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: 5 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -162.363565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.363565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.363565 (E_RNA) where: Base-Base interactions energy: -74.784 where: short stacking energy: -74.784 Base-Backbone interact. energy: -0.239 local terms energy: -87.339996 where: bonds (distance) C4'-P energy: -18.365 bonds (distance) P-C4' energy: -20.348 flat angles C4'-P-C4' energy: -20.192 flat angles P-C4'-P energy: -11.386 tors. eta vs tors. theta energy: -17.049 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: 3 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -162.337633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.337633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.337633 (E_RNA) where: Base-Base interactions energy: -82.289 where: short stacking energy: -82.289 Base-Backbone interact. energy: -0.009 local terms energy: -80.039400 where: bonds (distance) C4'-P energy: -18.091 bonds (distance) P-C4' energy: -18.683 flat angles C4'-P-C4' energy: -17.088 flat angles P-C4'-P energy: -10.546 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: 7, replica: 10 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -147.584071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.584071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.584071 (E_RNA) where: Base-Base interactions energy: -73.886 where: short stacking energy: -73.827 Base-Backbone interact. energy: -1.810 local terms energy: -71.887724 where: bonds (distance) C4'-P energy: -15.260 bonds (distance) P-C4' energy: -17.486 flat angles C4'-P-C4' energy: -14.276 flat angles P-C4'-P energy: -10.614 tors. eta vs tors. theta energy: -14.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -140.413597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.413597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.413597 (E_RNA) where: Base-Base interactions energy: -76.258 where: short stacking energy: -76.258 Base-Backbone interact. energy: 0.358 local terms energy: -64.512970 where: bonds (distance) C4'-P energy: -16.172 bonds (distance) P-C4' energy: -19.932 flat angles C4'-P-C4' energy: -10.468 flat angles P-C4'-P energy: -7.190 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: 9, replica: 7 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -117.684652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.684652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.684652 (E_RNA) where: Base-Base interactions energy: -64.918 where: short stacking energy: -64.918 Base-Backbone interact. energy: -0.083 local terms energy: -52.683493 where: bonds (distance) C4'-P energy: -18.790 bonds (distance) P-C4' energy: -17.097 flat angles C4'-P-C4' energy: -10.840 flat angles P-C4'-P energy: -0.242 tors. eta vs tors. theta energy: -5.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -106.742382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.742382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.742382 (E_RNA) where: Base-Base interactions energy: -43.401 where: short stacking energy: -43.401 Base-Backbone interact. energy: -0.059 local terms energy: -63.282364 where: bonds (distance) C4'-P energy: -16.249 bonds (distance) P-C4' energy: -18.294 flat angles C4'-P-C4' energy: -10.565 flat angles P-C4'-P energy: -9.120 tors. eta vs tors. theta energy: -9.054 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: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -221.757848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.757848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.757848 (E_RNA) where: Base-Base interactions energy: -122.615 where: short stacking energy: -122.615 Base-Backbone interact. energy: -0.000 local terms energy: -99.143093 where: bonds (distance) C4'-P energy: -19.751 bonds (distance) P-C4' energy: -18.921 flat angles C4'-P-C4' energy: -22.709 flat angles P-C4'-P energy: -9.605 tors. eta vs tors. theta energy: -28.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -208.840555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.840555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.840555 (E_RNA) where: Base-Base interactions energy: -111.459 where: short stacking energy: -111.459 Base-Backbone interact. energy: -0.002 local terms energy: -97.379336 where: bonds (distance) C4'-P energy: -20.996 bonds (distance) P-C4' energy: -20.365 flat angles C4'-P-C4' energy: -17.348 flat angles P-C4'-P energy: -13.931 tors. eta vs tors. theta energy: -24.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -188.516926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.516926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.516926 (E_RNA) where: Base-Base interactions energy: -98.805 where: short stacking energy: -93.912 Base-Backbone interact. energy: -0.350 local terms energy: -89.362129 where: bonds (distance) C4'-P energy: -20.559 bonds (distance) P-C4' energy: -18.507 flat angles C4'-P-C4' energy: -17.838 flat angles P-C4'-P energy: -11.136 tors. eta vs tors. theta energy: -21.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -188.452517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.452517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.452517 (E_RNA) where: Base-Base interactions energy: -101.609 where: short stacking energy: -101.609 Base-Backbone interact. energy: -0.001 local terms energy: -86.842328 where: bonds (distance) C4'-P energy: -19.375 bonds (distance) P-C4' energy: -11.540 flat angles C4'-P-C4' energy: -20.908 flat angles P-C4'-P energy: -12.444 tors. eta vs tors. theta energy: -22.576 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: 5 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -149.941986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.941986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.941986 (E_RNA) where: Base-Base interactions energy: -77.812 where: short stacking energy: -77.098 Base-Backbone interact. energy: -1.116 local terms energy: -71.013637 where: bonds (distance) C4'-P energy: -8.793 bonds (distance) P-C4' energy: -17.431 flat angles C4'-P-C4' energy: -15.926 flat angles P-C4'-P energy: -13.651 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: 6, replica: 10 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -157.605314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.605314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.605314 (E_RNA) where: Base-Base interactions energy: -67.173 where: short stacking energy: -67.265 Base-Backbone interact. energy: -0.242 local terms energy: -90.190558 where: bonds (distance) C4'-P energy: -20.041 bonds (distance) P-C4' energy: -19.246 flat angles C4'-P-C4' energy: -19.511 flat angles P-C4'-P energy: -15.509 tors. eta vs tors. theta energy: -15.885 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: 163 Temperature: 1.200000 Total energy: -152.401577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.401577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.401577 (E_RNA) where: Base-Base interactions energy: -79.334 where: short stacking energy: -79.334 Base-Backbone interact. energy: -0.008 local terms energy: -73.059809 where: bonds (distance) C4'-P energy: -17.193 bonds (distance) P-C4' energy: -14.694 flat angles C4'-P-C4' energy: -17.259 flat angles P-C4'-P energy: -6.276 tors. eta vs tors. theta energy: -17.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -129.655033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.655033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.655033 (E_RNA) where: Base-Base interactions energy: -61.233 where: short stacking energy: -57.510 Base-Backbone interact. energy: -0.864 local terms energy: -67.557956 where: bonds (distance) C4'-P energy: -17.956 bonds (distance) P-C4' energy: -14.909 flat angles C4'-P-C4' energy: -19.390 flat angles P-C4'-P energy: -9.553 tors. eta vs tors. theta energy: -5.749 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: 4 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -115.722676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.722676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.722676 (E_RNA) where: Base-Base interactions energy: -49.063 where: short stacking energy: -49.063 Base-Backbone interact. energy: 1.361 local terms energy: -68.019853 where: bonds (distance) C4'-P energy: -16.738 bonds (distance) P-C4' energy: -18.590 flat angles C4'-P-C4' energy: -17.707 flat angles P-C4'-P energy: -10.931 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -128.006450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.006450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.006450 (E_RNA) where: Base-Base interactions energy: -62.755 where: short stacking energy: -62.755 Base-Backbone interact. energy: 1.207 local terms energy: -66.457971 where: bonds (distance) C4'-P energy: -18.245 bonds (distance) P-C4' energy: -14.759 flat angles C4'-P-C4' energy: -11.612 flat angles P-C4'-P energy: -9.875 tors. eta vs tors. theta energy: -11.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -204.822436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.822436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.822436 (E_RNA) where: Base-Base interactions energy: -105.368 where: short stacking energy: -105.368 Base-Backbone interact. energy: -0.004 local terms energy: -99.450392 where: bonds (distance) C4'-P energy: -15.056 bonds (distance) P-C4' energy: -18.360 flat angles C4'-P-C4' energy: -22.623 flat angles P-C4'-P energy: -16.173 tors. eta vs tors. theta energy: -27.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -218.853967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.853967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.853967 (E_RNA) where: Base-Base interactions energy: -119.343 where: short stacking energy: -119.144 Base-Backbone interact. energy: -0.034 local terms energy: -99.477491 where: bonds (distance) C4'-P energy: -15.800 bonds (distance) P-C4' energy: -19.194 flat angles C4'-P-C4' energy: -22.273 flat angles P-C4'-P energy: -13.789 tors. eta vs tors. theta energy: -28.421 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: 6 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -177.380239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.380239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.380239 (E_RNA) where: Base-Base interactions energy: -92.602 where: short stacking energy: -92.602 Base-Backbone interact. energy: -0.038 local terms energy: -84.739727 where: bonds (distance) C4'-P energy: -19.208 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -18.975 flat angles P-C4'-P energy: -13.579 tors. eta vs tors. theta energy: -17.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -180.792201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.792201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.792201 (E_RNA) where: Base-Base interactions energy: -89.889 where: short stacking energy: -89.889 Base-Backbone interact. energy: -0.117 local terms energy: -90.786877 where: bonds (distance) C4'-P energy: -19.726 bonds (distance) P-C4' energy: -13.242 flat angles C4'-P-C4' energy: -18.350 flat angles P-C4'-P energy: -16.060 tors. eta vs tors. theta energy: -23.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -171.106899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.106899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.106899 (E_RNA) where: Base-Base interactions energy: -93.694 where: short stacking energy: -93.994 Base-Backbone interact. energy: 1.173 local terms energy: -78.585432 where: bonds (distance) C4'-P energy: -13.616 bonds (distance) P-C4' energy: -17.107 flat angles C4'-P-C4' energy: -18.618 flat angles P-C4'-P energy: -12.234 tors. eta vs tors. theta energy: -17.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -158.721017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.721017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.721017 (E_RNA) where: Base-Base interactions energy: -92.107 where: short stacking energy: -92.107 Base-Backbone interact. energy: -0.107 local terms energy: -66.506467 where: bonds (distance) C4'-P energy: -12.650 bonds (distance) P-C4' energy: -8.491 flat angles C4'-P-C4' energy: -15.584 flat angles P-C4'-P energy: -11.733 tors. eta vs tors. theta energy: -18.048 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: 7, replica: 7 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -143.392970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.392970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.392970 (E_RNA) where: Base-Base interactions energy: -75.260 where: short stacking energy: -73.516 Base-Backbone interact. energy: -0.754 local terms energy: -67.378961 where: bonds (distance) C4'-P energy: -14.071 bonds (distance) P-C4' energy: -19.016 flat angles C4'-P-C4' energy: -15.288 flat angles P-C4'-P energy: -9.062 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: 8, replica: 3 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -127.161530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.161530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.161530 (E_RNA) where: Base-Base interactions energy: -62.048 where: short stacking energy: -61.761 Base-Backbone interact. energy: -0.097 local terms energy: -65.016913 where: bonds (distance) C4'-P energy: -16.475 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -18.001 flat angles P-C4'-P energy: -14.972 tors. eta vs tors. theta energy: -8.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -116.661980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.661980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.661980 (E_RNA) where: Base-Base interactions energy: -50.862 where: short stacking energy: -48.798 Base-Backbone interact. energy: -0.313 local terms energy: -65.486981 where: bonds (distance) C4'-P energy: -14.280 bonds (distance) P-C4' energy: -18.193 flat angles C4'-P-C4' energy: -17.392 flat angles P-C4'-P energy: -9.656 tors. eta vs tors. theta energy: -5.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -112.930370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.930370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.930370 (E_RNA) where: Base-Base interactions energy: -44.682 where: short stacking energy: -43.501 Base-Backbone interact. energy: -0.389 local terms energy: -67.859465 where: bonds (distance) C4'-P energy: -12.066 bonds (distance) P-C4' energy: -17.544 flat angles C4'-P-C4' energy: -22.221 flat angles P-C4'-P energy: -8.624 tors. eta vs tors. theta energy: -7.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -231.390234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.390234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.390234 (E_RNA) where: Base-Base interactions energy: -123.734 where: short stacking energy: -125.234 Base-Backbone interact. energy: -0.000 local terms energy: -107.655821 where: bonds (distance) C4'-P energy: -19.561 bonds (distance) P-C4' energy: -19.688 flat angles C4'-P-C4' energy: -22.874 flat angles P-C4'-P energy: -16.829 tors. eta vs tors. theta energy: -28.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -188.187273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.187273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.187273 (E_RNA) where: Base-Base interactions energy: -97.641 where: short stacking energy: -97.641 Base-Backbone interact. energy: -0.003 local terms energy: -90.543804 where: bonds (distance) C4'-P energy: -17.722 bonds (distance) P-C4' energy: -20.370 flat angles C4'-P-C4' energy: -18.746 flat angles P-C4'-P energy: -10.699 tors. eta vs tors. theta energy: -23.007 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: 9 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -203.735855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.735855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.735855 (E_RNA) where: Base-Base interactions energy: -107.348 where: short stacking energy: -107.348 Base-Backbone interact. energy: -0.028 local terms energy: -96.360011 where: bonds (distance) C4'-P energy: -19.776 bonds (distance) P-C4' energy: -20.205 flat angles C4'-P-C4' energy: -18.397 flat angles P-C4'-P energy: -10.711 tors. eta vs tors. theta energy: -27.271 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: 8 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -183.466170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.466170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.466170 (E_RNA) where: Base-Base interactions energy: -95.638 where: short stacking energy: -95.638 Base-Backbone interact. energy: -0.016 local terms energy: -87.812046 where: bonds (distance) C4'-P energy: -13.538 bonds (distance) P-C4' energy: -19.138 flat angles C4'-P-C4' energy: -20.475 flat angles P-C4'-P energy: -10.003 tors. eta vs tors. theta energy: -24.658 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: 165 Temperature: 1.100000 Total energy: -161.143334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.143334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.143334 (E_RNA) where: Base-Base interactions energy: -89.123 where: short stacking energy: -89.123 Base-Backbone interact. energy: -0.161 local terms energy: -71.859541 where: bonds (distance) C4'-P energy: -9.033 bonds (distance) P-C4' energy: -12.762 flat angles C4'-P-C4' energy: -17.763 flat angles P-C4'-P energy: -14.823 tors. eta vs tors. theta energy: -17.479 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: 7 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -185.109701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.109701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.109701 (E_RNA) where: Base-Base interactions energy: -96.684 where: short stacking energy: -96.684 Base-Backbone interact. energy: -0.073 local terms energy: -88.352409 where: bonds (distance) C4'-P energy: -17.151 bonds (distance) P-C4' energy: -20.204 flat angles C4'-P-C4' energy: -18.731 flat angles P-C4'-P energy: -11.162 tors. eta vs tors. theta energy: -21.105 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: 5 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -142.344665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.344665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.344665 (E_RNA) where: Base-Base interactions energy: -71.627 where: short stacking energy: -71.627 Base-Backbone interact. energy: -0.391 local terms energy: -70.326741 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -19.109 flat angles C4'-P-C4' energy: -18.412 flat angles P-C4'-P energy: -7.427 tors. eta vs tors. theta energy: -17.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -129.875515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.875515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.875515 (E_RNA) where: Base-Base interactions energy: -69.787 where: short stacking energy: -69.787 Base-Backbone interact. energy: -0.132 local terms energy: -59.955945 where: bonds (distance) C4'-P energy: -13.239 bonds (distance) P-C4' energy: -19.559 flat angles C4'-P-C4' energy: -9.289 flat angles P-C4'-P energy: -7.801 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: 9, replica: 3 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -113.025349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.025349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.025349 (E_RNA) where: Base-Base interactions energy: -59.936 where: short stacking energy: -59.936 Base-Backbone interact. energy: -0.102 local terms energy: -52.986550 where: bonds (distance) C4'-P energy: -14.457 bonds (distance) P-C4' energy: -15.168 flat angles C4'-P-C4' energy: -11.112 flat angles P-C4'-P energy: -6.681 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: 10, replica: 4 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -120.065623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.065623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.065623 (E_RNA) where: Base-Base interactions energy: -70.699 where: short stacking energy: -70.699 Base-Backbone interact. energy: 6.577 local terms energy: -55.943639 where: bonds (distance) C4'-P energy: -15.512 bonds (distance) P-C4' energy: -11.614 flat angles C4'-P-C4' energy: -13.279 flat angles P-C4'-P energy: -2.415 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: 1, replica: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -218.370865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.370865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.370865 (E_RNA) where: Base-Base interactions energy: -118.176 where: short stacking energy: -118.176 Base-Backbone interact. energy: -0.000 local terms energy: -100.194099 where: bonds (distance) C4'-P energy: -15.949 bonds (distance) P-C4' energy: -21.191 flat angles C4'-P-C4' energy: -19.712 flat angles P-C4'-P energy: -16.531 tors. eta vs tors. theta energy: -26.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -204.359965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.359965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.359965 (E_RNA) where: Base-Base interactions energy: -111.703 where: short stacking energy: -111.703 Base-Backbone interact. energy: -0.028 local terms energy: -92.629792 where: bonds (distance) C4'-P energy: -14.435 bonds (distance) P-C4' energy: -18.320 flat angles C4'-P-C4' energy: -20.819 flat angles P-C4'-P energy: -11.875 tors. eta vs tors. theta energy: -27.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -198.737357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.737357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.737357 (E_RNA) where: Base-Base interactions energy: -102.672 where: short stacking energy: -102.672 Base-Backbone interact. energy: -0.051 local terms energy: -96.014827 where: bonds (distance) C4'-P energy: -17.306 bonds (distance) P-C4' energy: -20.619 flat angles C4'-P-C4' energy: -20.903 flat angles P-C4'-P energy: -12.442 tors. eta vs tors. theta energy: -24.745 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: 9 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -205.502701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.502701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.502701 (E_RNA) where: Base-Base interactions energy: -110.494 where: short stacking energy: -110.494 Base-Backbone interact. energy: -0.027 local terms energy: -94.981835 where: bonds (distance) C4'-P energy: -16.510 bonds (distance) P-C4' energy: -19.675 flat angles C4'-P-C4' energy: -14.958 flat angles P-C4'-P energy: -13.976 tors. eta vs tors. theta energy: -29.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -166.561396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.561396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.561396 (E_RNA) where: Base-Base interactions energy: -93.513 where: short stacking energy: -93.513 Base-Backbone interact. energy: -0.012 local terms energy: -73.036200 where: bonds (distance) C4'-P energy: -15.547 bonds (distance) P-C4' energy: -16.265 flat angles C4'-P-C4' energy: -15.777 flat angles P-C4'-P energy: -10.013 tors. eta vs tors. theta energy: -15.434 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: 166 Temperature: 1.150000 Total energy: -154.556637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.556637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.556637 (E_RNA) where: Base-Base interactions energy: -74.852 where: short stacking energy: -74.852 Base-Backbone interact. energy: 0.788 local terms energy: -80.492280 where: bonds (distance) C4'-P energy: -19.329 bonds (distance) P-C4' energy: -21.077 flat angles C4'-P-C4' energy: -15.341 flat angles P-C4'-P energy: -9.942 tors. eta vs tors. theta energy: -14.803 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: 2 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -129.544995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.544995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.544995 (E_RNA) where: Base-Base interactions energy: -66.566 where: short stacking energy: -66.566 Base-Backbone interact. energy: -0.081 local terms energy: -62.898251 where: bonds (distance) C4'-P energy: -13.327 bonds (distance) P-C4' energy: -15.818 flat angles C4'-P-C4' energy: -15.998 flat angles P-C4'-P energy: -9.643 tors. eta vs tors. theta energy: -8.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -123.872406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.872406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.872406 (E_RNA) where: Base-Base interactions energy: -65.615 where: short stacking energy: -65.615 Base-Backbone interact. energy: -1.056 local terms energy: -57.200761 where: bonds (distance) C4'-P energy: -13.740 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -12.186 flat angles P-C4'-P energy: -8.934 tors. eta vs tors. theta energy: -7.340 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: 4 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -114.482657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.482657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.482657 (E_RNA) where: Base-Base interactions energy: -49.219 where: short stacking energy: -49.219 Base-Backbone interact. energy: -0.172 local terms energy: -65.092272 where: bonds (distance) C4'-P energy: -12.887 bonds (distance) P-C4' energy: -18.020 flat angles C4'-P-C4' energy: -16.142 flat angles P-C4'-P energy: -11.718 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: 10, replica: 3 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -127.913431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.913431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.913431 (E_RNA) where: Base-Base interactions energy: -64.065 where: short stacking energy: -62.257 Base-Backbone interact. energy: -0.141 local terms energy: -63.707265 where: bonds (distance) C4'-P energy: -11.459 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -16.102 flat angles P-C4'-P energy: -7.919 tors. eta vs tors. theta energy: -13.647 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: 1, replica: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -219.554255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.554255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.554255 (E_RNA) where: Base-Base interactions energy: -119.085 where: short stacking energy: -119.085 Base-Backbone interact. energy: -0.000 local terms energy: -100.469348 where: bonds (distance) C4'-P energy: -19.810 bonds (distance) P-C4' energy: -19.344 flat angles C4'-P-C4' energy: -19.450 flat angles P-C4'-P energy: -13.201 tors. eta vs tors. theta energy: -28.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -188.204347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.204347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.204347 (E_RNA) where: Base-Base interactions energy: -99.734 where: short stacking energy: -99.734 Base-Backbone interact. energy: 0.376 local terms energy: -88.846725 where: bonds (distance) C4'-P energy: -17.210 bonds (distance) P-C4' energy: -20.694 flat angles C4'-P-C4' energy: -19.857 flat angles P-C4'-P energy: -11.447 tors. eta vs tors. theta energy: -19.639 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: 8 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -165.244704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.244704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.244704 (E_RNA) where: Base-Base interactions energy: -78.057 where: short stacking energy: -78.057 Base-Backbone interact. energy: -0.178 local terms energy: -87.009941 where: bonds (distance) C4'-P energy: -19.422 bonds (distance) P-C4' energy: -20.009 flat angles C4'-P-C4' energy: -18.731 flat angles P-C4'-P energy: -13.610 tors. eta vs tors. theta energy: -15.237 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: 9 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -194.042860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.042860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.042860 (E_RNA) where: Base-Base interactions energy: -108.399 where: short stacking energy: -108.399 Base-Backbone interact. energy: -0.000 local terms energy: -85.643900 where: bonds (distance) C4'-P energy: -14.689 bonds (distance) P-C4' energy: -16.455 flat angles C4'-P-C4' energy: -20.191 flat angles P-C4'-P energy: -11.389 tors. eta vs tors. theta energy: -22.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -170.454871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.454871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.454871 (E_RNA) where: Base-Base interactions energy: -83.591 where: short stacking energy: -81.398 Base-Backbone interact. energy: -0.153 local terms energy: -86.711296 where: bonds (distance) C4'-P energy: -18.650 bonds (distance) P-C4' energy: -19.016 flat angles C4'-P-C4' energy: -19.796 flat angles P-C4'-P energy: -12.958 tors. eta vs tors. theta energy: -16.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -183.412708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.412708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.412708 (E_RNA) where: Base-Base interactions energy: -104.010 where: short stacking energy: -104.010 Base-Backbone interact. energy: 0.973 local terms energy: -80.375703 where: bonds (distance) C4'-P energy: -11.282 bonds (distance) P-C4' energy: -16.128 flat angles C4'-P-C4' energy: -15.289 flat angles P-C4'-P energy: -13.810 tors. eta vs tors. theta energy: -23.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -125.674696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.674696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.674696 (E_RNA) where: Base-Base interactions energy: -66.397 where: short stacking energy: -66.138 Base-Backbone interact. energy: -2.101 local terms energy: -57.176799 where: bonds (distance) C4'-P energy: -12.559 bonds (distance) P-C4' energy: -17.746 flat angles C4'-P-C4' energy: -14.222 flat angles P-C4'-P energy: -7.509 tors. eta vs tors. theta energy: -5.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -128.147075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.147075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.147075 (E_RNA) where: Base-Base interactions energy: -59.472 where: short stacking energy: -59.233 Base-Backbone interact. energy: -0.096 local terms energy: -68.578372 where: bonds (distance) C4'-P energy: -16.254 bonds (distance) P-C4' energy: -17.800 flat angles C4'-P-C4' energy: -16.070 flat angles P-C4'-P energy: -13.338 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: 5 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -129.732741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.732741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.732741 (E_RNA) where: Base-Base interactions energy: -64.436 where: short stacking energy: -64.020 Base-Backbone interact. energy: 0.087 local terms energy: -65.384112 where: bonds (distance) C4'-P energy: -19.076 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -19.912 flat angles P-C4'-P energy: -10.504 tors. eta vs tors. theta energy: -7.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -119.669767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.669767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.669767 (E_RNA) where: Base-Base interactions energy: -53.975 where: short stacking energy: -53.969 Base-Backbone interact. energy: 0.758 local terms energy: -66.453131 where: bonds (distance) C4'-P energy: -20.716 bonds (distance) P-C4' energy: -11.878 flat angles C4'-P-C4' energy: -17.580 flat angles P-C4'-P energy: -8.720 tors. eta vs tors. theta energy: -7.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -213.168763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.168763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.168763 (E_RNA) where: Base-Base interactions energy: -116.560 where: short stacking energy: -116.560 Base-Backbone interact. energy: -0.002 local terms energy: -96.606262 where: bonds (distance) C4'-P energy: -15.126 bonds (distance) P-C4' energy: -16.443 flat angles C4'-P-C4' energy: -22.368 flat angles P-C4'-P energy: -15.702 tors. eta vs tors. theta energy: -26.966 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: 1 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -208.087273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.087273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.087273 (E_RNA) where: Base-Base interactions energy: -109.434 where: short stacking energy: -109.434 Base-Backbone interact. energy: -0.067 local terms energy: -98.586006 where: bonds (distance) C4'-P energy: -18.763 bonds (distance) P-C4' energy: -16.891 flat angles C4'-P-C4' energy: -21.116 flat angles P-C4'-P energy: -14.934 tors. eta vs tors. theta energy: -26.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -162.973023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.973023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.973023 (E_RNA) where: Base-Base interactions energy: -82.167 where: short stacking energy: -82.167 Base-Backbone interact. energy: -0.891 local terms energy: -79.914929 where: bonds (distance) C4'-P energy: -15.300 bonds (distance) P-C4' energy: -19.879 flat angles C4'-P-C4' energy: -16.134 flat angles P-C4'-P energy: -10.868 tors. eta vs tors. theta energy: -17.733 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: 4, replica: 8 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -184.843314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.843314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.843314 (E_RNA) where: Base-Base interactions energy: -100.910 where: short stacking energy: -100.910 Base-Backbone interact. energy: -0.012 local terms energy: -83.921604 where: bonds (distance) C4'-P energy: -13.937 bonds (distance) P-C4' energy: -17.249 flat angles C4'-P-C4' energy: -19.248 flat angles P-C4'-P energy: -11.010 tors. eta vs tors. theta energy: -22.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -187.359191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.359191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.359191 (E_RNA) where: Base-Base interactions energy: -103.869 where: short stacking energy: -103.869 Base-Backbone interact. energy: -0.004 local terms energy: -83.486155 where: bonds (distance) C4'-P energy: -18.555 bonds (distance) P-C4' energy: -19.326 flat angles C4'-P-C4' energy: -13.183 flat angles P-C4'-P energy: -12.836 tors. eta vs tors. theta energy: -19.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -171.294453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.294453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.294453 (E_RNA) where: Base-Base interactions energy: -86.704 where: short stacking energy: -86.704 Base-Backbone interact. energy: -0.023 local terms energy: -84.566698 where: bonds (distance) C4'-P energy: -18.866 bonds (distance) P-C4' energy: -12.976 flat angles C4'-P-C4' energy: -19.984 flat angles P-C4'-P energy: -14.170 tors. eta vs tors. theta energy: -18.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -141.648718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.648718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.648718 (E_RNA) where: Base-Base interactions energy: -65.012 where: short stacking energy: -65.012 Base-Backbone interact. energy: -0.021 local terms energy: -76.615538 where: bonds (distance) C4'-P energy: -14.528 bonds (distance) P-C4' energy: -18.089 flat angles C4'-P-C4' energy: -17.592 flat angles P-C4'-P energy: -11.802 tors. eta vs tors. theta energy: -14.605 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: 8, replica: 4 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -135.921070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.921070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.921070 (E_RNA) where: Base-Base interactions energy: -62.267 where: short stacking energy: -62.267 Base-Backbone interact. energy: -0.071 local terms energy: -73.583407 where: bonds (distance) C4'-P energy: -16.248 bonds (distance) P-C4' energy: -16.149 flat angles C4'-P-C4' energy: -18.381 flat angles P-C4'-P energy: -9.451 tors. eta vs tors. theta energy: -13.354 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: 168 Temperature: 1.300000 Total energy: -119.005701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.005701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.005701 (E_RNA) where: Base-Base interactions energy: -58.122 where: short stacking energy: -58.122 Base-Backbone interact. energy: 1.382 local terms energy: -62.265392 where: bonds (distance) C4'-P energy: -18.807 bonds (distance) P-C4' energy: -10.536 flat angles C4'-P-C4' energy: -12.019 flat angles P-C4'-P energy: -8.112 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: 10, replica: 3 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -104.064021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.064021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.064021 (E_RNA) where: Base-Base interactions energy: -48.704 where: short stacking energy: -49.204 Base-Backbone interact. energy: -0.310 local terms energy: -55.049232 where: bonds (distance) C4'-P energy: -10.660 bonds (distance) P-C4' energy: -18.525 flat angles C4'-P-C4' energy: -16.927 flat angles P-C4'-P energy: -2.566 tors. eta vs tors. theta energy: -6.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -209.841404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.841404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.841404 (E_RNA) where: Base-Base interactions energy: -114.890 where: short stacking energy: -114.890 Base-Backbone interact. energy: -0.091 local terms energy: -94.860706 where: bonds (distance) C4'-P energy: -12.453 bonds (distance) P-C4' energy: -20.182 flat angles C4'-P-C4' energy: -19.419 flat angles P-C4'-P energy: -16.213 tors. eta vs tors. theta energy: -26.594 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: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -207.496898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.496898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.496898 (E_RNA) where: Base-Base interactions energy: -112.687 where: short stacking energy: -112.670 Base-Backbone interact. energy: -0.100 local terms energy: -94.709588 where: bonds (distance) C4'-P energy: -19.204 bonds (distance) P-C4' energy: -12.517 flat angles C4'-P-C4' energy: -21.356 flat angles P-C4'-P energy: -14.600 tors. eta vs tors. theta energy: -27.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -185.419002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.419002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.419002 (E_RNA) where: Base-Base interactions energy: -95.454 where: short stacking energy: -95.454 Base-Backbone interact. energy: -0.071 local terms energy: -89.893894 where: bonds (distance) C4'-P energy: -18.983 bonds (distance) P-C4' energy: -19.041 flat angles C4'-P-C4' energy: -19.341 flat angles P-C4'-P energy: -14.460 tors. eta vs tors. theta energy: -18.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -202.645250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.645250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.645250 (E_RNA) where: Base-Base interactions energy: -107.125 where: short stacking energy: -107.125 Base-Backbone interact. energy: -0.000 local terms energy: -95.519957 where: bonds (distance) C4'-P energy: -21.151 bonds (distance) P-C4' energy: -15.833 flat angles C4'-P-C4' energy: -18.321 flat angles P-C4'-P energy: -13.437 tors. eta vs tors. theta energy: -26.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -151.229440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.229440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.229440 (E_RNA) where: Base-Base interactions energy: -71.469 where: short stacking energy: -71.469 Base-Backbone interact. energy: -0.139 local terms energy: -79.620741 where: bonds (distance) C4'-P energy: -17.359 bonds (distance) P-C4' energy: -21.603 flat angles C4'-P-C4' energy: -19.370 flat angles P-C4'-P energy: -9.161 tors. eta vs tors. theta energy: -12.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -160.404615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.404615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.404615 (E_RNA) where: Base-Base interactions energy: -74.564 where: short stacking energy: -74.564 Base-Backbone interact. energy: -0.005 local terms energy: -85.836217 where: bonds (distance) C4'-P energy: -17.101 bonds (distance) P-C4' energy: -20.228 flat angles C4'-P-C4' energy: -15.452 flat angles P-C4'-P energy: -13.531 tors. eta vs tors. theta energy: -19.524 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: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -141.966579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.966579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.966579 (E_RNA) where: Base-Base interactions energy: -69.178 where: short stacking energy: -65.232 Base-Backbone interact. energy: -0.218 local terms energy: -72.570367 where: bonds (distance) C4'-P energy: -16.866 bonds (distance) P-C4' energy: -17.244 flat angles C4'-P-C4' energy: -18.753 flat angles P-C4'-P energy: -8.387 tors. eta vs tors. theta energy: -11.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -134.512729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.512729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.512729 (E_RNA) where: Base-Base interactions energy: -65.807 where: short stacking energy: -64.429 Base-Backbone interact. energy: -0.163 local terms energy: -68.543193 where: bonds (distance) C4'-P energy: -13.213 bonds (distance) P-C4' energy: -18.072 flat angles C4'-P-C4' energy: -16.479 flat angles P-C4'-P energy: -9.081 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: 9, replica: 4 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -123.388620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.388620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.388620 (E_RNA) where: Base-Base interactions energy: -63.880 where: short stacking energy: -63.880 Base-Backbone interact. energy: 0.395 local terms energy: -59.903430 where: bonds (distance) C4'-P energy: -14.818 bonds (distance) P-C4' energy: -17.678 flat angles C4'-P-C4' energy: -16.962 flat angles P-C4'-P energy: -3.304 tors. eta vs tors. theta energy: -7.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -114.692842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.692842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.692842 (E_RNA) where: Base-Base interactions energy: -46.417 where: short stacking energy: -43.880 Base-Backbone interact. energy: -0.301 local terms energy: -67.974626 where: bonds (distance) C4'-P energy: -12.880 bonds (distance) P-C4' energy: -16.852 flat angles C4'-P-C4' energy: -19.789 flat angles P-C4'-P energy: -13.043 tors. eta vs tors. theta energy: -5.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -223.965048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.965048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.965048 (E_RNA) where: Base-Base interactions energy: -120.276 where: short stacking energy: -120.276 Base-Backbone interact. energy: -0.004 local terms energy: -103.684760 where: bonds (distance) C4'-P energy: -19.520 bonds (distance) P-C4' energy: -20.140 flat angles C4'-P-C4' energy: -19.683 flat angles P-C4'-P energy: -16.768 tors. eta vs tors. theta energy: -27.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -186.754364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.754364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.754364 (E_RNA) where: Base-Base interactions energy: -100.556 where: short stacking energy: -100.556 Base-Backbone interact. energy: 0.661 local terms energy: -86.858583 where: bonds (distance) C4'-P energy: -19.863 bonds (distance) P-C4' energy: -18.435 flat angles C4'-P-C4' energy: -16.081 flat angles P-C4'-P energy: -13.043 tors. eta vs tors. theta energy: -19.436 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: 8 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -199.547070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.547070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.547070 (E_RNA) where: Base-Base interactions energy: -112.674 where: short stacking energy: -112.674 Base-Backbone interact. energy: 0.202 local terms energy: -87.074661 where: bonds (distance) C4'-P energy: -18.002 bonds (distance) P-C4' energy: -15.744 flat angles C4'-P-C4' energy: -17.431 flat angles P-C4'-P energy: -10.426 tors. eta vs tors. theta energy: -25.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -197.982285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.982285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.982285 (E_RNA) where: Base-Base interactions energy: -108.474 where: short stacking energy: -108.474 Base-Backbone interact. energy: -0.095 local terms energy: -89.412594 where: bonds (distance) C4'-P energy: -14.689 bonds (distance) P-C4' energy: -20.814 flat angles C4'-P-C4' energy: -18.802 flat angles P-C4'-P energy: -10.397 tors. eta vs tors. theta energy: -24.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -167.603354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.603354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.603354 (E_RNA) where: Base-Base interactions energy: -89.101 where: short stacking energy: -89.101 Base-Backbone interact. energy: -0.004 local terms energy: -78.497535 where: bonds (distance) C4'-P energy: -13.118 bonds (distance) P-C4' energy: -18.013 flat angles C4'-P-C4' energy: -15.463 flat angles P-C4'-P energy: -10.435 tors. eta vs tors. theta energy: -21.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -153.971171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.971171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.971171 (E_RNA) where: Base-Base interactions energy: -82.574 where: short stacking energy: -83.374 Base-Backbone interact. energy: -0.760 local terms energy: -70.636789 where: bonds (distance) C4'-P energy: -10.674 bonds (distance) P-C4' energy: -18.425 flat angles C4'-P-C4' energy: -13.821 flat angles P-C4'-P energy: -11.779 tors. eta vs tors. theta energy: -15.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -153.448273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.448273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.448273 (E_RNA) where: Base-Base interactions energy: -80.929 where: short stacking energy: -80.929 Base-Backbone interact. energy: -0.106 local terms energy: -72.413129 where: bonds (distance) C4'-P energy: -13.184 bonds (distance) P-C4' energy: -15.547 flat angles C4'-P-C4' energy: -16.819 flat angles P-C4'-P energy: -9.263 tors. eta vs tors. theta energy: -17.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -136.645604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.645604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.645604 (E_RNA) where: Base-Base interactions energy: -67.640 where: short stacking energy: -67.640 Base-Backbone interact. energy: -0.054 local terms energy: -68.951036 where: bonds (distance) C4'-P energy: -16.154 bonds (distance) P-C4' energy: -19.961 flat angles C4'-P-C4' energy: -15.871 flat angles P-C4'-P energy: -9.632 tors. eta vs tors. theta energy: -7.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -124.099138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.099138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.099138 (E_RNA) where: Base-Base interactions energy: -45.395 where: short stacking energy: -45.395 Base-Backbone interact. energy: 2.161 local terms energy: -80.865346 where: bonds (distance) C4'-P energy: -18.037 bonds (distance) P-C4' energy: -18.547 flat angles C4'-P-C4' energy: -18.114 flat angles P-C4'-P energy: -15.764 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: 10, replica: 4 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -120.568249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.568249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.568249 (E_RNA) where: Base-Base interactions energy: -59.068 where: short stacking energy: -59.060 Base-Backbone interact. energy: -0.130 local terms energy: -61.370307 where: bonds (distance) C4'-P energy: -17.462 bonds (distance) P-C4' energy: -17.812 flat angles C4'-P-C4' energy: -12.094 flat angles P-C4'-P energy: -7.603 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: 1, replica: 1 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -218.867612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.867612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.867612 (E_RNA) where: Base-Base interactions energy: -117.051 where: short stacking energy: -117.051 Base-Backbone interact. energy: -0.075 local terms energy: -101.741227 where: bonds (distance) C4'-P energy: -19.409 bonds (distance) P-C4' energy: -17.353 flat angles C4'-P-C4' energy: -19.828 flat angles P-C4'-P energy: -15.063 tors. eta vs tors. theta energy: -30.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -186.703529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.703529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.703529 (E_RNA) where: Base-Base interactions energy: -98.226 where: short stacking energy: -98.226 Base-Backbone interact. energy: -0.083 local terms energy: -88.395271 where: bonds (distance) C4'-P energy: -18.923 bonds (distance) P-C4' energy: -18.977 flat angles C4'-P-C4' energy: -17.770 flat angles P-C4'-P energy: -9.536 tors. eta vs tors. theta energy: -23.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -182.332081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.332081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.332081 (E_RNA) where: Base-Base interactions energy: -100.568 where: short stacking energy: -100.568 Base-Backbone interact. energy: -0.004 local terms energy: -81.759876 where: bonds (distance) C4'-P energy: -15.313 bonds (distance) P-C4' energy: -17.834 flat angles C4'-P-C4' energy: -18.274 flat angles P-C4'-P energy: -14.823 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: 4, replica: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -177.429152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.429152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.429152 (E_RNA) where: Base-Base interactions energy: -97.303 where: short stacking energy: -97.303 Base-Backbone interact. energy: -0.079 local terms energy: -80.046483 where: bonds (distance) C4'-P energy: -17.552 bonds (distance) P-C4' energy: -12.268 flat angles C4'-P-C4' energy: -19.067 flat angles P-C4'-P energy: -12.160 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: 5, replica: 9 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -167.200696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.200696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.200696 (E_RNA) where: Base-Base interactions energy: -87.157 where: short stacking energy: -87.157 Base-Backbone interact. energy: 2.367 local terms energy: -82.410558 where: bonds (distance) C4'-P energy: -19.288 bonds (distance) P-C4' energy: -19.563 flat angles C4'-P-C4' energy: -17.482 flat angles P-C4'-P energy: -10.366 tors. eta vs tors. theta energy: -15.711 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: 171 Temperature: 1.150000 Total energy: -178.201925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.201925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.201925 (E_RNA) where: Base-Base interactions energy: -92.646 where: short stacking energy: -92.409 Base-Backbone interact. energy: 0.045 local terms energy: -85.601115 where: bonds (distance) C4'-P energy: -18.891 bonds (distance) P-C4' energy: -19.841 flat angles C4'-P-C4' energy: -19.181 flat angles P-C4'-P energy: -6.024 tors. eta vs tors. theta energy: -21.664 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: 10 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -153.887705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.887705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.887705 (E_RNA) where: Base-Base interactions energy: -88.363 where: short stacking energy: -88.963 Base-Backbone interact. energy: -0.072 local terms energy: -65.452931 where: bonds (distance) C4'-P energy: -9.493 bonds (distance) P-C4' energy: -20.194 flat angles C4'-P-C4' energy: -9.603 flat angles P-C4'-P energy: -9.045 tors. eta vs tors. theta energy: -17.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -140.186775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.186775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.186775 (E_RNA) where: Base-Base interactions energy: -59.393 where: short stacking energy: -59.393 Base-Backbone interact. energy: -0.592 local terms energy: -80.201743 where: bonds (distance) C4'-P energy: -15.438 bonds (distance) P-C4' energy: -19.603 flat angles C4'-P-C4' energy: -18.304 flat angles P-C4'-P energy: -12.484 tors. eta vs tors. theta energy: -14.373 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: 3 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -121.023081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.023081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.023081 (E_RNA) where: Base-Base interactions energy: -59.425 where: short stacking energy: -59.425 Base-Backbone interact. energy: 1.479 local terms energy: -63.077660 where: bonds (distance) C4'-P energy: -17.902 bonds (distance) P-C4' energy: -15.395 flat angles C4'-P-C4' energy: -16.163 flat angles P-C4'-P energy: -3.657 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: 10, replica: 4 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -100.715609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.715609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.715609 (E_RNA) where: Base-Base interactions energy: -44.314 where: short stacking energy: -44.314 Base-Backbone interact. energy: 1.318 local terms energy: -57.718819 where: bonds (distance) C4'-P energy: -18.020 bonds (distance) P-C4' energy: -12.738 flat angles C4'-P-C4' energy: -13.499 flat angles P-C4'-P energy: -10.639 tors. eta vs tors. theta energy: -2.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -202.973163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.973163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.973163 (E_RNA) where: Base-Base interactions energy: -105.781 where: short stacking energy: -105.781 Base-Backbone interact. energy: -0.100 local terms energy: -97.091870 where: bonds (distance) C4'-P energy: -17.554 bonds (distance) P-C4' energy: -20.147 flat angles C4'-P-C4' energy: -20.173 flat angles P-C4'-P energy: -12.903 tors. eta vs tors. theta energy: -26.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -209.899298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.899298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.899298 (E_RNA) where: Base-Base interactions energy: -107.604 where: short stacking energy: -107.604 Base-Backbone interact. energy: -0.117 local terms energy: -102.177628 where: bonds (distance) C4'-P energy: -17.006 bonds (distance) P-C4' energy: -20.548 flat angles C4'-P-C4' energy: -22.520 flat angles P-C4'-P energy: -16.957 tors. eta vs tors. theta energy: -25.146 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: 7 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -189.522416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.522416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.522416 (E_RNA) where: Base-Base interactions energy: -101.801 where: short stacking energy: -101.801 Base-Backbone interact. energy: -0.061 local terms energy: -87.660324 where: bonds (distance) C4'-P energy: -18.001 bonds (distance) P-C4' energy: -17.763 flat angles C4'-P-C4' energy: -17.900 flat angles P-C4'-P energy: -13.239 tors. eta vs tors. theta energy: -20.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -159.148708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.148708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.148708 (E_RNA) where: Base-Base interactions energy: -78.534 where: short stacking energy: -78.682 Base-Backbone interact. energy: -0.077 local terms energy: -80.538397 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -18.280 flat angles C4'-P-C4' energy: -18.054 flat angles P-C4'-P energy: -13.304 tors. eta vs tors. theta energy: -16.162 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: 5, replica: 9 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -159.591988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.591988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.591988 (E_RNA) where: Base-Base interactions energy: -79.378 where: short stacking energy: -79.378 Base-Backbone interact. energy: -0.129 local terms energy: -80.085391 where: bonds (distance) C4'-P energy: -15.392 bonds (distance) P-C4' energy: -16.837 flat angles C4'-P-C4' energy: -20.381 flat angles P-C4'-P energy: -9.931 tors. eta vs tors. theta energy: -17.544 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: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -138.346779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.346779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.346779 (E_RNA) where: Base-Base interactions energy: -62.428 where: short stacking energy: -62.428 Base-Backbone interact. energy: 0.646 local terms energy: -76.564857 where: bonds (distance) C4'-P energy: -17.768 bonds (distance) P-C4' energy: -20.132 flat angles C4'-P-C4' energy: -16.508 flat angles P-C4'-P energy: -12.183 tors. eta vs tors. theta energy: -9.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -139.421665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.421665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.421665 (E_RNA) where: Base-Base interactions energy: -70.253 where: short stacking energy: -70.253 Base-Backbone interact. energy: -0.102 local terms energy: -69.066771 where: bonds (distance) C4'-P energy: -16.481 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -14.406 flat angles P-C4'-P energy: -14.375 tors. eta vs tors. theta energy: -10.573 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: 10 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -127.337166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.337166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.337166 (E_RNA) where: Base-Base interactions energy: -56.289 where: short stacking energy: -52.237 Base-Backbone interact. energy: -0.197 local terms energy: -70.851184 where: bonds (distance) C4'-P energy: -19.777 bonds (distance) P-C4' energy: -16.151 flat angles C4'-P-C4' energy: -18.424 flat angles P-C4'-P energy: -10.920 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: 9, replica: 3 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -131.917727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.917727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.917727 (E_RNA) where: Base-Base interactions energy: -66.791 where: short stacking energy: -66.791 Base-Backbone interact. energy: -0.191 local terms energy: -64.936266 where: bonds (distance) C4'-P energy: -11.757 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -16.181 flat angles P-C4'-P energy: -11.877 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: 10, replica: 4 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -117.265762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.265762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.265762 (E_RNA) where: Base-Base interactions energy: -55.854 where: short stacking energy: -55.702 Base-Backbone interact. energy: -0.615 local terms energy: -60.796569 where: bonds (distance) C4'-P energy: -11.636 bonds (distance) P-C4' energy: -21.307 flat angles C4'-P-C4' energy: -17.749 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -6.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -222.001748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.001748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.001748 (E_RNA) where: Base-Base interactions energy: -122.865 where: short stacking energy: -122.865 Base-Backbone interact. energy: -0.003 local terms energy: -99.134372 where: bonds (distance) C4'-P energy: -18.649 bonds (distance) P-C4' energy: -18.222 flat angles C4'-P-C4' energy: -21.128 flat angles P-C4'-P energy: -14.070 tors. eta vs tors. theta energy: -27.064 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: 173 Temperature: 0.950000 Total energy: -214.349182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.349182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.349182 (E_RNA) where: Base-Base interactions energy: -116.636 where: short stacking energy: -116.636 Base-Backbone interact. energy: -0.004 local terms energy: -97.708958 where: bonds (distance) C4'-P energy: -17.797 bonds (distance) P-C4' energy: -18.252 flat angles C4'-P-C4' energy: -20.500 flat angles P-C4'-P energy: -14.148 tors. eta vs tors. theta energy: -27.013 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: 7 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -191.133052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.133052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.133052 (E_RNA) where: Base-Base interactions energy: -106.079 where: short stacking energy: -106.079 Base-Backbone interact. energy: -0.002 local terms energy: -85.051856 where: bonds (distance) C4'-P energy: -13.221 bonds (distance) P-C4' energy: -15.991 flat angles C4'-P-C4' energy: -22.776 flat angles P-C4'-P energy: -11.866 tors. eta vs tors. theta energy: -21.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -177.305908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.305908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.305908 (E_RNA) where: Base-Base interactions energy: -94.631 where: short stacking energy: -94.631 Base-Backbone interact. energy: -0.012 local terms energy: -82.662863 where: bonds (distance) C4'-P energy: -17.591 bonds (distance) P-C4' energy: -18.309 flat angles C4'-P-C4' energy: -19.287 flat angles P-C4'-P energy: -8.571 tors. eta vs tors. theta energy: -18.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -159.222163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.222163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.222163 (E_RNA) where: Base-Base interactions energy: -72.592 where: short stacking energy: -72.592 Base-Backbone interact. energy: -0.047 local terms energy: -86.583563 where: bonds (distance) C4'-P energy: -18.278 bonds (distance) P-C4' energy: -20.418 flat angles C4'-P-C4' energy: -21.707 flat angles P-C4'-P energy: -11.951 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: 5 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -134.860167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.860167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.860167 (E_RNA) where: Base-Base interactions energy: -63.215 where: short stacking energy: -63.215 Base-Backbone interact. energy: -0.263 local terms energy: -71.381864 where: bonds (distance) C4'-P energy: -15.993 bonds (distance) P-C4' energy: -18.309 flat angles C4'-P-C4' energy: -19.051 flat angles P-C4'-P energy: -9.966 tors. eta vs tors. theta energy: -8.063 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: 2 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -146.802234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.802234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.802234 (E_RNA) where: Base-Base interactions energy: -77.804 where: short stacking energy: -77.804 Base-Backbone interact. energy: -0.166 local terms energy: -68.832324 where: bonds (distance) C4'-P energy: -18.710 bonds (distance) P-C4' energy: -21.349 flat angles C4'-P-C4' energy: -9.260 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -14.777 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: 10 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -124.422823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.422823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.422823 (E_RNA) where: Base-Base interactions energy: -57.171 where: short stacking energy: -54.014 Base-Backbone interact. energy: -0.398 local terms energy: -66.853558 where: bonds (distance) C4'-P energy: -15.752 bonds (distance) P-C4' energy: -19.246 flat angles C4'-P-C4' energy: -15.224 flat angles P-C4'-P energy: -10.346 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: 9, replica: 3 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -119.850432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.850432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.850432 (E_RNA) where: Base-Base interactions energy: -60.778 where: short stacking energy: -60.778 Base-Backbone interact. energy: 0.343 local terms energy: -59.415216 where: bonds (distance) C4'-P energy: -18.262 bonds (distance) P-C4' energy: -12.009 flat angles C4'-P-C4' energy: -12.543 flat angles P-C4'-P energy: -11.089 tors. eta vs tors. theta energy: -5.512 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: 173 Temperature: 1.350000 Total energy: -113.280278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.280278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.280278 (E_RNA) where: Base-Base interactions energy: -55.556 where: short stacking energy: -55.556 Base-Backbone interact. energy: -0.209 local terms energy: -57.515392 where: bonds (distance) C4'-P energy: -14.125 bonds (distance) P-C4' energy: -11.854 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -9.673 tors. eta vs tors. theta energy: -7.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -222.528133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.528133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.528133 (E_RNA) where: Base-Base interactions energy: -117.210 where: short stacking energy: -117.210 Base-Backbone interact. energy: 0.053 local terms energy: -105.370935 where: bonds (distance) C4'-P energy: -19.176 bonds (distance) P-C4' energy: -20.246 flat angles C4'-P-C4' energy: -21.798 flat angles P-C4'-P energy: -15.247 tors. eta vs tors. theta energy: -28.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -206.235383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.235383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.235383 (E_RNA) where: Base-Base interactions energy: -109.581 where: short stacking energy: -109.581 Base-Backbone interact. energy: -0.008 local terms energy: -96.646935 where: bonds (distance) C4'-P energy: -18.249 bonds (distance) P-C4' energy: -17.503 flat angles C4'-P-C4' energy: -18.693 flat angles P-C4'-P energy: -16.151 tors. eta vs tors. theta energy: -26.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -183.959814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.959814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.959814 (E_RNA) where: Base-Base interactions energy: -97.883 where: short stacking energy: -96.450 Base-Backbone interact. energy: -0.063 local terms energy: -86.013516 where: bonds (distance) C4'-P energy: -18.293 bonds (distance) P-C4' energy: -20.863 flat angles C4'-P-C4' energy: -17.390 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -20.144 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: 9 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -191.542818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.542818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.542818 (E_RNA) where: Base-Base interactions energy: -101.696 where: short stacking energy: -101.696 Base-Backbone interact. energy: -0.003 local terms energy: -89.844401 where: bonds (distance) C4'-P energy: -16.978 bonds (distance) P-C4' energy: -17.403 flat angles C4'-P-C4' energy: -18.715 flat angles P-C4'-P energy: -13.389 tors. eta vs tors. theta energy: -23.360 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: 8 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -161.497956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.497956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.497956 (E_RNA) where: Base-Base interactions energy: -84.729 where: short stacking energy: -84.729 Base-Backbone interact. energy: -0.089 local terms energy: -76.680169 where: bonds (distance) C4'-P energy: -15.054 bonds (distance) P-C4' energy: -14.419 flat angles C4'-P-C4' energy: -15.985 flat angles P-C4'-P energy: -12.856 tors. eta vs tors. theta energy: -18.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -146.224711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.224711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.224711 (E_RNA) where: Base-Base interactions energy: -75.972 where: short stacking energy: -75.972 Base-Backbone interact. energy: -0.230 local terms energy: -70.022853 where: bonds (distance) C4'-P energy: -10.735 bonds (distance) P-C4' energy: -20.277 flat angles C4'-P-C4' energy: -16.125 flat angles P-C4'-P energy: -9.009 tors. eta vs tors. theta energy: -13.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -136.205970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.205970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.205970 (E_RNA) where: Base-Base interactions energy: -68.999 where: short stacking energy: -66.066 Base-Backbone interact. energy: -0.137 local terms energy: -67.070423 where: bonds (distance) C4'-P energy: -9.686 bonds (distance) P-C4' energy: -20.137 flat angles C4'-P-C4' energy: -19.610 flat angles P-C4'-P energy: -5.663 tors. eta vs tors. theta energy: -11.974 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: 2 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -126.598379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.598379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.598379 (E_RNA) where: Base-Base interactions energy: -57.372 where: short stacking energy: -57.672 Base-Backbone interact. energy: -0.235 local terms energy: -68.991244 where: bonds (distance) C4'-P energy: -15.036 bonds (distance) P-C4' energy: -19.136 flat angles C4'-P-C4' energy: -17.160 flat angles P-C4'-P energy: -8.358 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: 9, replica: 4 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -119.961564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.961564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.961564 (E_RNA) where: Base-Base interactions energy: -63.738 where: short stacking energy: -63.683 Base-Backbone interact. energy: -0.044 local terms energy: -56.179342 where: bonds (distance) C4'-P energy: -9.694 bonds (distance) P-C4' energy: -19.038 flat angles C4'-P-C4' energy: -15.180 flat angles P-C4'-P energy: -1.142 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: 10, replica: 3 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -108.564433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.564433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.564433 (E_RNA) where: Base-Base interactions energy: -42.604 where: short stacking energy: -42.604 Base-Backbone interact. energy: -0.586 local terms energy: -65.374031 where: bonds (distance) C4'-P energy: -15.656 bonds (distance) P-C4' energy: -18.890 flat angles C4'-P-C4' energy: -14.088 flat angles P-C4'-P energy: -10.777 tors. eta vs tors. theta energy: -5.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -209.473729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.473729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.473729 (E_RNA) where: Base-Base interactions energy: -113.413 where: short stacking energy: -113.413 Base-Backbone interact. energy: -0.001 local terms energy: -96.059785 where: bonds (distance) C4'-P energy: -15.330 bonds (distance) P-C4' energy: -18.287 flat angles C4'-P-C4' energy: -21.663 flat angles P-C4'-P energy: -15.807 tors. eta vs tors. theta energy: -24.972 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: 7 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -186.560556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.560556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.560556 (E_RNA) where: Base-Base interactions energy: -96.884 where: short stacking energy: -96.884 Base-Backbone interact. energy: -0.052 local terms energy: -89.624100 where: bonds (distance) C4'-P energy: -16.991 bonds (distance) P-C4' energy: -19.873 flat angles C4'-P-C4' energy: -20.973 flat angles P-C4'-P energy: -12.046 tors. eta vs tors. theta energy: -19.742 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: 3, replica: 6 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -183.781499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.781499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.781499 (E_RNA) where: Base-Base interactions energy: -105.102 where: short stacking energy: -105.102 Base-Backbone interact. energy: -0.114 local terms energy: -78.565439 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -15.660 flat angles C4'-P-C4' energy: -17.873 flat angles P-C4'-P energy: -9.364 tors. eta vs tors. theta energy: -22.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -157.424453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.424453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.424453 (E_RNA) where: Base-Base interactions energy: -75.448 where: short stacking energy: -75.448 Base-Backbone interact. energy: -0.720 local terms energy: -81.256564 where: bonds (distance) C4'-P energy: -15.917 bonds (distance) P-C4' energy: -19.424 flat angles C4'-P-C4' energy: -18.842 flat angles P-C4'-P energy: -14.296 tors. eta vs tors. theta energy: -12.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -169.511173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.511173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.511173 (E_RNA) where: Base-Base interactions energy: -89.203 where: short stacking energy: -89.004 Base-Backbone interact. energy: -0.056 local terms energy: -80.252605 where: bonds (distance) C4'-P energy: -12.605 bonds (distance) P-C4' energy: -17.702 flat angles C4'-P-C4' energy: -20.917 flat angles P-C4'-P energy: -13.024 tors. eta vs tors. theta energy: -16.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -149.298605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.298605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.298605 (E_RNA) where: Base-Base interactions energy: -72.725 where: short stacking energy: -72.725 Base-Backbone interact. energy: -0.115 local terms energy: -76.458815 where: bonds (distance) C4'-P energy: -17.373 bonds (distance) P-C4' energy: -19.979 flat angles C4'-P-C4' energy: -15.769 flat angles P-C4'-P energy: -10.350 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: 7, replica: 10 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -129.760421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.760421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.760421 (E_RNA) where: Base-Base interactions energy: -59.339 where: short stacking energy: -59.339 Base-Backbone interact. energy: -0.146 local terms energy: -70.275661 where: bonds (distance) C4'-P energy: -14.990 bonds (distance) P-C4' energy: -20.885 flat angles C4'-P-C4' energy: -17.035 flat angles P-C4'-P energy: -11.375 tors. eta vs tors. theta energy: -5.991 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: 4 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -144.936403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.936403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.936403 (E_RNA) where: Base-Base interactions energy: -70.495 where: short stacking energy: -70.495 Base-Backbone interact. energy: 0.730 local terms energy: -75.170962 where: bonds (distance) C4'-P energy: -19.730 bonds (distance) P-C4' energy: -17.755 flat angles C4'-P-C4' energy: -21.260 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -12.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -114.401083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.401083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.401083 (E_RNA) where: Base-Base interactions energy: -51.773 where: short stacking energy: -48.943 Base-Backbone interact. energy: 1.962 local terms energy: -64.589709 where: bonds (distance) C4'-P energy: -18.208 bonds (distance) P-C4' energy: -18.856 flat angles C4'-P-C4' energy: -14.315 flat angles P-C4'-P energy: -7.998 tors. eta vs tors. theta energy: -5.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -119.041018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.041018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.041018 (E_RNA) where: Base-Base interactions energy: -67.287 where: short stacking energy: -67.287 Base-Backbone interact. energy: -0.171 local terms energy: -51.583011 where: bonds (distance) C4'-P energy: -9.389 bonds (distance) P-C4' energy: -8.322 flat angles C4'-P-C4' energy: -17.126 flat angles P-C4'-P energy: -9.650 tors. eta vs tors. theta energy: -7.095 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: 1 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -204.941242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.941242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.941242 (E_RNA) where: Base-Base interactions energy: -108.532 where: short stacking energy: -108.532 Base-Backbone interact. energy: -0.000 local terms energy: -96.409620 where: bonds (distance) C4'-P energy: -16.659 bonds (distance) P-C4' energy: -21.209 flat angles C4'-P-C4' energy: -17.370 flat angles P-C4'-P energy: -17.104 tors. eta vs tors. theta energy: -24.067 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: 176 Temperature: 0.950000 Total energy: -192.660013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.660013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.660013 (E_RNA) where: Base-Base interactions energy: -96.795 where: short stacking energy: -96.795 Base-Backbone interact. energy: -0.002 local terms energy: -95.862828 where: bonds (distance) C4'-P energy: -18.105 bonds (distance) P-C4' energy: -20.119 flat angles C4'-P-C4' energy: -19.310 flat angles P-C4'-P energy: -15.087 tors. eta vs tors. theta energy: -23.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -183.044226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.044226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.044226 (E_RNA) where: Base-Base interactions energy: -94.623 where: short stacking energy: -94.623 Base-Backbone interact. energy: -0.005 local terms energy: -88.416249 where: bonds (distance) C4'-P energy: -17.727 bonds (distance) P-C4' energy: -17.115 flat angles C4'-P-C4' energy: -18.634 flat angles P-C4'-P energy: -14.615 tors. eta vs tors. theta energy: -20.326 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: 4, replica: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -202.293673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.293673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.293673 (E_RNA) where: Base-Base interactions energy: -112.088 where: short stacking energy: -112.088 Base-Backbone interact. energy: -0.007 local terms energy: -90.199411 where: bonds (distance) C4'-P energy: -16.389 bonds (distance) P-C4' energy: -13.428 flat angles C4'-P-C4' energy: -16.035 flat angles P-C4'-P energy: -16.064 tors. eta vs tors. theta energy: -28.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -165.313261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.313261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.313261 (E_RNA) where: Base-Base interactions energy: -89.247 where: short stacking energy: -88.373 Base-Backbone interact. energy: -0.065 local terms energy: -76.001170 where: bonds (distance) C4'-P energy: -15.561 bonds (distance) P-C4' energy: -12.795 flat angles C4'-P-C4' energy: -16.669 flat angles P-C4'-P energy: -13.090 tors. eta vs tors. theta energy: -17.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -156.985166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.985166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.985166 (E_RNA) where: Base-Base interactions energy: -77.180 where: short stacking energy: -77.180 Base-Backbone interact. energy: -0.228 local terms energy: -79.577631 where: bonds (distance) C4'-P energy: -14.130 bonds (distance) P-C4' energy: -19.178 flat angles C4'-P-C4' energy: -13.238 flat angles P-C4'-P energy: -14.063 tors. eta vs tors. theta energy: -18.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -146.994629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.994629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.994629 (E_RNA) where: Base-Base interactions energy: -76.451 where: short stacking energy: -76.451 Base-Backbone interact. energy: -0.257 local terms energy: -70.286841 where: bonds (distance) C4'-P energy: -11.608 bonds (distance) P-C4' energy: -19.098 flat angles C4'-P-C4' energy: -18.436 flat angles P-C4'-P energy: -5.620 tors. eta vs tors. theta energy: -15.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -144.502526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.502526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.502526 (E_RNA) where: Base-Base interactions energy: -71.358 where: short stacking energy: -71.358 Base-Backbone interact. energy: -0.037 local terms energy: -73.107445 where: bonds (distance) C4'-P energy: -16.059 bonds (distance) P-C4' energy: -15.412 flat angles C4'-P-C4' energy: -15.113 flat angles P-C4'-P energy: -10.660 tors. eta vs tors. theta energy: -15.863 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: 9, replica: 2 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -135.191255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.191255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.191255 (E_RNA) where: Base-Base interactions energy: -64.897 where: short stacking energy: -64.897 Base-Backbone interact. energy: -0.022 local terms energy: -70.272189 where: bonds (distance) C4'-P energy: -13.003 bonds (distance) P-C4' energy: -19.633 flat angles C4'-P-C4' energy: -16.122 flat angles P-C4'-P energy: -10.725 tors. eta vs tors. theta energy: -10.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -111.806610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.806610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.806610 (E_RNA) where: Base-Base interactions energy: -56.282 where: short stacking energy: -56.282 Base-Backbone interact. energy: -0.130 local terms energy: -55.394062 where: bonds (distance) C4'-P energy: -7.612 bonds (distance) P-C4' energy: -11.794 flat angles C4'-P-C4' energy: -17.690 flat angles P-C4'-P energy: -9.167 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: 1, replica: 1 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -212.547020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.547020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.547020 (E_RNA) where: Base-Base interactions energy: -114.626 where: short stacking energy: -111.649 Base-Backbone interact. energy: -0.030 local terms energy: -97.891026 where: bonds (distance) C4'-P energy: -20.956 bonds (distance) P-C4' energy: -21.905 flat angles C4'-P-C4' energy: -16.478 flat angles P-C4'-P energy: -11.936 tors. eta vs tors. theta energy: -26.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -218.943156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.943156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.943156 (E_RNA) where: Base-Base interactions energy: -122.488 where: short stacking energy: -122.488 Base-Backbone interact. energy: -0.000 local terms energy: -96.454666 where: bonds (distance) C4'-P energy: -19.395 bonds (distance) P-C4' energy: -18.467 flat angles C4'-P-C4' energy: -21.072 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -28.084 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: 3, replica: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -175.747262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.747262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.747262 (E_RNA) where: Base-Base interactions energy: -93.556 where: short stacking energy: -93.556 Base-Backbone interact. energy: -0.112 local terms energy: -82.078333 where: bonds (distance) C4'-P energy: -18.972 bonds (distance) P-C4' energy: -18.492 flat angles C4'-P-C4' energy: -18.320 flat angles P-C4'-P energy: -12.553 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: 4, replica: 8 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -178.182417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.182417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.182417 (E_RNA) where: Base-Base interactions energy: -92.244 where: short stacking energy: -92.244 Base-Backbone interact. energy: -0.014 local terms energy: -85.924160 where: bonds (distance) C4'-P energy: -18.500 bonds (distance) P-C4' energy: -19.737 flat angles C4'-P-C4' energy: -15.142 flat angles P-C4'-P energy: -12.910 tors. eta vs tors. theta energy: -19.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -174.102918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.102918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.102918 (E_RNA) where: Base-Base interactions energy: -91.689 where: short stacking energy: -91.689 Base-Backbone interact. energy: -0.004 local terms energy: -82.410393 where: bonds (distance) C4'-P energy: -14.275 bonds (distance) P-C4' energy: -14.178 flat angles C4'-P-C4' energy: -21.897 flat angles P-C4'-P energy: -12.086 tors. eta vs tors. theta energy: -19.974 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: 9 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -144.148587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.148587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.148587 (E_RNA) where: Base-Base interactions energy: -74.481 where: short stacking energy: -74.450 Base-Backbone interact. energy: -1.388 local terms energy: -68.279292 where: bonds (distance) C4'-P energy: -14.171 bonds (distance) P-C4' energy: -16.452 flat angles C4'-P-C4' energy: -14.919 flat angles P-C4'-P energy: -13.148 tors. eta vs tors. theta energy: -9.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -142.992783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.992783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.992783 (E_RNA) where: Base-Base interactions energy: -73.389 where: short stacking energy: -73.389 Base-Backbone interact. energy: -0.006 local terms energy: -69.596886 where: bonds (distance) C4'-P energy: -16.531 bonds (distance) P-C4' energy: -19.601 flat angles C4'-P-C4' energy: -18.565 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -10.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -134.706578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.706578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.706578 (E_RNA) where: Base-Base interactions energy: -65.521 where: short stacking energy: -64.321 Base-Backbone interact. energy: -0.098 local terms energy: -69.087473 where: bonds (distance) C4'-P energy: -16.422 bonds (distance) P-C4' energy: -15.883 flat angles C4'-P-C4' energy: -10.513 flat angles P-C4'-P energy: -12.749 tors. eta vs tors. theta energy: -13.520 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: 9, replica: 10 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -126.278004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.278004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.278004 (E_RNA) where: Base-Base interactions energy: -55.402 where: short stacking energy: -55.402 Base-Backbone interact. energy: -0.182 local terms energy: -70.694031 where: bonds (distance) C4'-P energy: -17.653 bonds (distance) P-C4' energy: -17.025 flat angles C4'-P-C4' energy: -14.533 flat angles P-C4'-P energy: -12.655 tors. eta vs tors. theta energy: -8.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -111.921011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.921011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.921011 (E_RNA) where: Base-Base interactions energy: -54.269 where: short stacking energy: -54.269 Base-Backbone interact. energy: -0.320 local terms energy: -57.331803 where: bonds (distance) C4'-P energy: -19.954 bonds (distance) P-C4' energy: -11.130 flat angles C4'-P-C4' energy: -14.586 flat angles P-C4'-P energy: -11.260 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: 1, replica: 6 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -229.085613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.085613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.085613 (E_RNA) where: Base-Base interactions energy: -125.702 where: short stacking energy: -125.702 Base-Backbone interact. energy: -0.000 local terms energy: -103.383451 where: bonds (distance) C4'-P energy: -19.251 bonds (distance) P-C4' energy: -18.235 flat angles C4'-P-C4' energy: -21.170 flat angles P-C4'-P energy: -12.805 tors. eta vs tors. theta energy: -31.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -225.211387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.211387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.211387 (E_RNA) where: Base-Base interactions energy: -124.912 where: short stacking energy: -124.912 Base-Backbone interact. energy: -0.025 local terms energy: -100.274820 where: bonds (distance) C4'-P energy: -17.741 bonds (distance) P-C4' energy: -20.795 flat angles C4'-P-C4' energy: -20.225 flat angles P-C4'-P energy: -13.630 tors. eta vs tors. theta energy: -27.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -183.831155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.831155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.831155 (E_RNA) where: Base-Base interactions energy: -94.687 where: short stacking energy: -94.687 Base-Backbone interact. energy: -0.016 local terms energy: -89.128072 where: bonds (distance) C4'-P energy: -18.431 bonds (distance) P-C4' energy: -19.119 flat angles C4'-P-C4' energy: -18.177 flat angles P-C4'-P energy: -13.059 tors. eta vs tors. theta energy: -20.342 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: 4, replica: 7 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -163.327499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.327499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.327499 (E_RNA) where: Base-Base interactions energy: -79.565 where: short stacking energy: -79.565 Base-Backbone interact. energy: -0.499 local terms energy: -83.263907 where: bonds (distance) C4'-P energy: -17.370 bonds (distance) P-C4' energy: -17.710 flat angles C4'-P-C4' energy: -15.688 flat angles P-C4'-P energy: -13.817 tors. eta vs tors. theta energy: -18.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -153.705828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.705828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.705828 (E_RNA) where: Base-Base interactions energy: -81.521 where: short stacking energy: -81.521 Base-Backbone interact. energy: -0.002 local terms energy: -72.182962 where: bonds (distance) C4'-P energy: -14.940 bonds (distance) P-C4' energy: -18.828 flat angles C4'-P-C4' energy: -15.652 flat angles P-C4'-P energy: -8.596 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: 6, replica: 9 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -155.738241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.738241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.738241 (E_RNA) where: Base-Base interactions energy: -83.651 where: short stacking energy: -81.077 Base-Backbone interact. energy: -0.191 local terms energy: -71.895533 where: bonds (distance) C4'-P energy: -13.836 bonds (distance) P-C4' energy: -15.786 flat angles C4'-P-C4' energy: -16.921 flat angles P-C4'-P energy: -9.070 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: 7, replica: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -139.762585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.762585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.762585 (E_RNA) where: Base-Base interactions energy: -59.222 where: short stacking energy: -59.197 Base-Backbone interact. energy: -0.165 local terms energy: -80.375725 where: bonds (distance) C4'-P energy: -21.349 bonds (distance) P-C4' energy: -19.510 flat angles C4'-P-C4' energy: -20.076 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -9.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -128.351844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.351844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.351844 (E_RNA) where: Base-Base interactions energy: -68.993 where: short stacking energy: -68.993 Base-Backbone interact. energy: -0.192 local terms energy: -59.166694 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -11.402 flat angles C4'-P-C4' energy: -14.687 flat angles P-C4'-P energy: -11.939 tors. eta vs tors. theta energy: -6.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -132.704055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.704055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.704055 (E_RNA) where: Base-Base interactions energy: -64.805 where: short stacking energy: -63.772 Base-Backbone interact. energy: -0.960 local terms energy: -66.939376 where: bonds (distance) C4'-P energy: -12.544 bonds (distance) P-C4' energy: -14.823 flat angles C4'-P-C4' energy: -13.366 flat angles P-C4'-P energy: -13.803 tors. eta vs tors. theta energy: -12.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -109.143326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.143326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.143326 (E_RNA) where: Base-Base interactions energy: -51.827 where: short stacking energy: -51.827 Base-Backbone interact. energy: -3.227 local terms energy: -54.089775 where: bonds (distance) C4'-P energy: -16.378 bonds (distance) P-C4' energy: -19.320 flat angles C4'-P-C4' energy: -12.048 flat angles P-C4'-P energy: -8.376 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: 1, replica: 6 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -219.497410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.497410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.497410 (E_RNA) where: Base-Base interactions energy: -118.663 where: short stacking energy: -118.663 Base-Backbone interact. energy: -0.027 local terms energy: -100.807254 where: bonds (distance) C4'-P energy: -19.420 bonds (distance) P-C4' energy: -17.442 flat angles C4'-P-C4' energy: -19.445 flat angles P-C4'-P energy: -15.299 tors. eta vs tors. theta energy: -29.200 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: 8 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -195.092131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.092131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.092131 (E_RNA) where: Base-Base interactions energy: -103.235 where: short stacking energy: -103.235 Base-Backbone interact. energy: -0.031 local terms energy: -91.826928 where: bonds (distance) C4'-P energy: -18.480 bonds (distance) P-C4' energy: -18.432 flat angles C4'-P-C4' energy: -20.896 flat angles P-C4'-P energy: -10.832 tors. eta vs tors. theta energy: -23.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -179.873280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.873280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.873280 (E_RNA) where: Base-Base interactions energy: -99.588 where: short stacking energy: -96.602 Base-Backbone interact. energy: -0.008 local terms energy: -80.278018 where: bonds (distance) C4'-P energy: -16.240 bonds (distance) P-C4' energy: -15.525 flat angles C4'-P-C4' energy: -21.025 flat angles P-C4'-P energy: -9.891 tors. eta vs tors. theta energy: -17.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -181.379515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.379515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.379515 (E_RNA) where: Base-Base interactions energy: -100.947 where: short stacking energy: -100.947 Base-Backbone interact. energy: -0.274 local terms energy: -80.158387 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -16.258 flat angles C4'-P-C4' energy: -17.646 flat angles P-C4'-P energy: -12.567 tors. eta vs tors. theta energy: -21.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -163.570826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.570826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.570826 (E_RNA) where: Base-Base interactions energy: -87.963 where: short stacking energy: -87.963 Base-Backbone interact. energy: -0.501 local terms energy: -75.106699 where: bonds (distance) C4'-P energy: -17.233 bonds (distance) P-C4' energy: -13.581 flat angles C4'-P-C4' energy: -16.995 flat angles P-C4'-P energy: -10.556 tors. eta vs tors. theta energy: -16.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -143.027724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.027724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.027724 (E_RNA) where: Base-Base interactions energy: -67.556 where: short stacking energy: -67.556 Base-Backbone interact. energy: -0.509 local terms energy: -74.963232 where: bonds (distance) C4'-P energy: -15.157 bonds (distance) P-C4' energy: -16.272 flat angles C4'-P-C4' energy: -18.331 flat angles P-C4'-P energy: -12.317 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: 7, replica: 9 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -146.214592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.214592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.214592 (E_RNA) where: Base-Base interactions energy: -68.698 where: short stacking energy: -68.698 Base-Backbone interact. energy: -0.019 local terms energy: -77.497726 where: bonds (distance) C4'-P energy: -15.583 bonds (distance) P-C4' energy: -19.542 flat angles C4'-P-C4' energy: -17.047 flat angles P-C4'-P energy: -10.488 tors. eta vs tors. theta energy: -14.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -131.201270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.201270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.201270 (E_RNA) where: Base-Base interactions energy: -61.319 where: short stacking energy: -61.319 Base-Backbone interact. energy: -0.051 local terms energy: -69.831539 where: bonds (distance) C4'-P energy: -14.331 bonds (distance) P-C4' energy: -19.271 flat angles C4'-P-C4' energy: -12.440 flat angles P-C4'-P energy: -10.044 tors. eta vs tors. theta energy: -13.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -122.442680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.442680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.442680 (E_RNA) where: Base-Base interactions energy: -60.312 where: short stacking energy: -58.078 Base-Backbone interact. energy: -1.682 local terms energy: -60.448770 where: bonds (distance) C4'-P energy: -9.831 bonds (distance) P-C4' energy: -18.905 flat angles C4'-P-C4' energy: -17.217 flat angles P-C4'-P energy: -9.249 tors. eta vs tors. theta energy: -5.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -106.901927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.901927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.901927 (E_RNA) where: Base-Base interactions energy: -44.586 where: short stacking energy: -44.886 Base-Backbone interact. energy: -0.118 local terms energy: -62.198002 where: bonds (distance) C4'-P energy: -13.574 bonds (distance) P-C4' energy: -19.883 flat angles C4'-P-C4' energy: -12.938 flat angles P-C4'-P energy: -12.037 tors. eta vs tors. theta energy: -3.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -225.367526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.367526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.367526 (E_RNA) where: Base-Base interactions energy: -124.152 where: short stacking energy: -124.152 Base-Backbone interact. energy: -0.000 local terms energy: -101.215025 where: bonds (distance) C4'-P energy: -19.701 bonds (distance) P-C4' energy: -20.403 flat angles C4'-P-C4' energy: -20.332 flat angles P-C4'-P energy: -10.981 tors. eta vs tors. theta energy: -29.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -232.380066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.380066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.380066 (E_RNA) where: Base-Base interactions energy: -123.266 where: short stacking energy: -123.266 Base-Backbone interact. energy: -0.000 local terms energy: -109.113523 where: bonds (distance) C4'-P energy: -20.885 bonds (distance) P-C4' energy: -21.803 flat angles C4'-P-C4' energy: -20.440 flat angles P-C4'-P energy: -16.450 tors. eta vs tors. theta energy: -29.535 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: 1 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -182.229619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.229619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.229619 (E_RNA) where: Base-Base interactions energy: -94.472 where: short stacking energy: -94.472 Base-Backbone interact. energy: -0.004 local terms energy: -87.753189 where: bonds (distance) C4'-P energy: -15.025 bonds (distance) P-C4' energy: -18.415 flat angles C4'-P-C4' energy: -17.893 flat angles P-C4'-P energy: -13.925 tors. eta vs tors. theta energy: -22.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -188.852741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.852741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.852741 (E_RNA) where: Base-Base interactions energy: -101.222 where: short stacking energy: -101.222 Base-Backbone interact. energy: -0.008 local terms energy: -87.622047 where: bonds (distance) C4'-P energy: -13.509 bonds (distance) P-C4' energy: -19.417 flat angles C4'-P-C4' energy: -17.180 flat angles P-C4'-P energy: -13.030 tors. eta vs tors. theta energy: -24.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -174.031678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.031678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.031678 (E_RNA) where: Base-Base interactions energy: -97.865 where: short stacking energy: -97.865 Base-Backbone interact. energy: -0.344 local terms energy: -75.821939 where: bonds (distance) C4'-P energy: -13.783 bonds (distance) P-C4' energy: -13.819 flat angles C4'-P-C4' energy: -15.191 flat angles P-C4'-P energy: -10.952 tors. eta vs tors. theta energy: -22.076 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: 2 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -127.857554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.857554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.857554 (E_RNA) where: Base-Base interactions energy: -63.543 where: short stacking energy: -63.543 Base-Backbone interact. energy: -0.045 local terms energy: -64.269933 where: bonds (distance) C4'-P energy: -16.302 bonds (distance) P-C4' energy: -19.552 flat angles C4'-P-C4' energy: -15.107 flat angles P-C4'-P energy: -8.709 tors. eta vs tors. theta energy: -4.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -147.142324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.142324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.142324 (E_RNA) where: Base-Base interactions energy: -76.109 where: short stacking energy: -76.209 Base-Backbone interact. energy: 0.114 local terms energy: -71.147415 where: bonds (distance) C4'-P energy: -14.400 bonds (distance) P-C4' energy: -16.548 flat angles C4'-P-C4' energy: -17.980 flat angles P-C4'-P energy: -12.608 tors. eta vs tors. theta energy: -9.612 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: 3 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -126.855818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.855818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.855818 (E_RNA) where: Base-Base interactions energy: -55.603 where: short stacking energy: -55.603 Base-Backbone interact. energy: -0.413 local terms energy: -70.838982 where: bonds (distance) C4'-P energy: -17.433 bonds (distance) P-C4' energy: -12.141 flat angles C4'-P-C4' energy: -17.539 flat angles P-C4'-P energy: -15.144 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: 9, replica: 10 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -122.840543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.840543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.840543 (E_RNA) where: Base-Base interactions energy: -59.342 where: short stacking energy: -59.342 Base-Backbone interact. energy: -0.015 local terms energy: -63.483274 where: bonds (distance) C4'-P energy: -11.116 bonds (distance) P-C4' energy: -17.826 flat angles C4'-P-C4' energy: -16.340 flat angles P-C4'-P energy: -8.985 tors. eta vs tors. theta energy: -9.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -117.651331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.651331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.651331 (E_RNA) where: Base-Base interactions energy: -62.075 where: short stacking energy: -62.075 Base-Backbone interact. energy: -0.156 local terms energy: -55.420612 where: bonds (distance) C4'-P energy: -15.271 bonds (distance) P-C4' energy: -11.438 flat angles C4'-P-C4' energy: -15.733 flat angles P-C4'-P energy: -7.357 tors. eta vs tors. theta energy: -5.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -225.075999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.075999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.075999 (E_RNA) where: Base-Base interactions energy: -125.395 where: short stacking energy: -125.395 Base-Backbone interact. energy: -0.000 local terms energy: -99.680239 where: bonds (distance) C4'-P energy: -17.861 bonds (distance) P-C4' energy: -20.272 flat angles C4'-P-C4' energy: -19.692 flat angles P-C4'-P energy: -11.892 tors. eta vs tors. theta energy: -29.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -200.044366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.044366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.044366 (E_RNA) where: Base-Base interactions energy: -112.114 where: short stacking energy: -112.114 Base-Backbone interact. energy: -0.004 local terms energy: -87.926118 where: bonds (distance) C4'-P energy: -16.819 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -20.890 flat angles P-C4'-P energy: -11.598 tors. eta vs tors. theta energy: -23.147 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: 1 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -200.098246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.098246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.098246 (E_RNA) where: Base-Base interactions energy: -105.855 where: short stacking energy: -105.855 Base-Backbone interact. energy: -0.003 local terms energy: -94.240916 where: bonds (distance) C4'-P energy: -17.305 bonds (distance) P-C4' energy: -19.102 flat angles C4'-P-C4' energy: -16.806 flat angles P-C4'-P energy: -18.023 tors. eta vs tors. theta energy: -23.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -197.902043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.902043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.902043 (E_RNA) where: Base-Base interactions energy: -106.397 where: short stacking energy: -106.997 Base-Backbone interact. energy: -0.704 local terms energy: -90.801119 where: bonds (distance) C4'-P energy: -20.182 bonds (distance) P-C4' energy: -17.793 flat angles C4'-P-C4' energy: -17.821 flat angles P-C4'-P energy: -11.575 tors. eta vs tors. theta energy: -23.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -165.606262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.606262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.606262 (E_RNA) where: Base-Base interactions energy: -82.873 where: short stacking energy: -81.916 Base-Backbone interact. energy: -0.803 local terms energy: -81.929686 where: bonds (distance) C4'-P energy: -18.293 bonds (distance) P-C4' energy: -12.459 flat angles C4'-P-C4' energy: -19.715 flat angles P-C4'-P energy: -13.386 tors. eta vs tors. theta energy: -18.077 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: 181 Temperature: 1.150000 Total energy: -154.495040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.495040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.495040 (E_RNA) where: Base-Base interactions energy: -74.445 where: short stacking energy: -74.445 Base-Backbone interact. energy: -0.490 local terms energy: -79.560450 where: bonds (distance) C4'-P energy: -17.628 bonds (distance) P-C4' energy: -18.088 flat angles C4'-P-C4' energy: -17.265 flat angles P-C4'-P energy: -14.318 tors. eta vs tors. theta energy: -12.261 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: 7, replica: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -154.181105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.181105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.181105 (E_RNA) where: Base-Base interactions energy: -77.948 where: short stacking energy: -77.948 Base-Backbone interact. energy: 0.299 local terms energy: -76.532288 where: bonds (distance) C4'-P energy: -15.183 bonds (distance) P-C4' energy: -20.383 flat angles C4'-P-C4' energy: -17.504 flat angles P-C4'-P energy: -9.097 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: 8, replica: 3 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -130.794153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.794153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.794153 (E_RNA) where: Base-Base interactions energy: -62.762 where: short stacking energy: -62.003 Base-Backbone interact. energy: -0.393 local terms energy: -67.639222 where: bonds (distance) C4'-P energy: -13.198 bonds (distance) P-C4' energy: -17.202 flat angles C4'-P-C4' energy: -16.525 flat angles P-C4'-P energy: -10.697 tors. eta vs tors. theta energy: -10.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -117.584228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.584228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.584228 (E_RNA) where: Base-Base interactions energy: -60.944 where: short stacking energy: -58.313 Base-Backbone interact. energy: -0.211 local terms energy: -56.429758 where: bonds (distance) C4'-P energy: -12.733 bonds (distance) P-C4' energy: -16.939 flat angles C4'-P-C4' energy: -17.006 flat angles P-C4'-P energy: -7.598 tors. eta vs tors. theta energy: -2.154 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: 181 Temperature: 1.350000 Total energy: -124.771401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.771401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.771401 (E_RNA) where: Base-Base interactions energy: -59.917 where: short stacking energy: -59.917 Base-Backbone interact. energy: 0.929 local terms energy: -65.783756 where: bonds (distance) C4'-P energy: -15.566 bonds (distance) P-C4' energy: -14.020 flat angles C4'-P-C4' energy: -17.972 flat angles P-C4'-P energy: -7.597 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: 1, replica: 8 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -229.880255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.880255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.880255 (E_RNA) where: Base-Base interactions energy: -127.477 where: short stacking energy: -127.477 Base-Backbone interact. energy: -0.052 local terms energy: -102.351617 where: bonds (distance) C4'-P energy: -20.365 bonds (distance) P-C4' energy: -18.889 flat angles C4'-P-C4' energy: -22.240 flat angles P-C4'-P energy: -9.871 tors. eta vs tors. theta energy: -30.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -210.292980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.292980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.292980 (E_RNA) where: Base-Base interactions energy: -115.342 where: short stacking energy: -115.342 Base-Backbone interact. energy: -0.000 local terms energy: -94.950824 where: bonds (distance) C4'-P energy: -16.511 bonds (distance) P-C4' energy: -18.386 flat angles C4'-P-C4' energy: -21.329 flat angles P-C4'-P energy: -10.998 tors. eta vs tors. theta energy: -27.726 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: 182 Temperature: 1.000000 Total energy: -175.090136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.090136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.090136 (E_RNA) where: Base-Base interactions energy: -89.745 where: short stacking energy: -90.245 Base-Backbone interact. energy: -0.084 local terms energy: -85.261080 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -21.718 flat angles C4'-P-C4' energy: -20.348 flat angles P-C4'-P energy: -10.051 tors. eta vs tors. theta energy: -19.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -197.879482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.879482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.879482 (E_RNA) where: Base-Base interactions energy: -104.356 where: short stacking energy: -104.356 Base-Backbone interact. energy: -0.077 local terms energy: -93.446230 where: bonds (distance) C4'-P energy: -16.439 bonds (distance) P-C4' energy: -20.645 flat angles C4'-P-C4' energy: -22.532 flat angles P-C4'-P energy: -8.017 tors. eta vs tors. theta energy: -25.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -141.649332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.649332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.649332 (E_RNA) where: Base-Base interactions energy: -68.613 where: short stacking energy: -68.612 Base-Backbone interact. energy: -0.319 local terms energy: -72.717235 where: bonds (distance) C4'-P energy: -18.004 bonds (distance) P-C4' energy: -22.492 flat angles C4'-P-C4' energy: -11.817 flat angles P-C4'-P energy: -8.290 tors. eta vs tors. theta energy: -12.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -138.834132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.834132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.834132 (E_RNA) where: Base-Base interactions energy: -66.923 where: short stacking energy: -65.646 Base-Backbone interact. energy: -0.687 local terms energy: -71.224757 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -18.958 flat angles C4'-P-C4' energy: -15.136 flat angles P-C4'-P energy: -12.850 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: 7, replica: 3 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -131.129946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.129946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.129946 (E_RNA) where: Base-Base interactions energy: -63.350 where: short stacking energy: -63.350 Base-Backbone interact. energy: -0.083 local terms energy: -67.696298 where: bonds (distance) C4'-P energy: -12.925 bonds (distance) P-C4' energy: -17.277 flat angles C4'-P-C4' energy: -11.840 flat angles P-C4'-P energy: -11.618 tors. eta vs tors. theta energy: -14.036 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: 2 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -134.570916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.570916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.570916 (E_RNA) where: Base-Base interactions energy: -61.446 where: short stacking energy: -61.446 Base-Backbone interact. energy: -0.123 local terms energy: -73.001609 where: bonds (distance) C4'-P energy: -16.242 bonds (distance) P-C4' energy: -22.205 flat angles C4'-P-C4' energy: -20.392 flat angles P-C4'-P energy: -6.653 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: 9, replica: 4 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -124.482492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.482492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.482492 (E_RNA) where: Base-Base interactions energy: -52.399 where: short stacking energy: -51.910 Base-Backbone interact. energy: 0.616 local terms energy: -72.699164 where: bonds (distance) C4'-P energy: -19.751 bonds (distance) P-C4' energy: -19.334 flat angles C4'-P-C4' energy: -11.765 flat angles P-C4'-P energy: -8.290 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: 10, replica: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -115.019185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.019185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.019185 (E_RNA) where: Base-Base interactions energy: -54.375 where: short stacking energy: -54.375 Base-Backbone interact. energy: -0.125 local terms energy: -60.518894 where: bonds (distance) C4'-P energy: -15.710 bonds (distance) P-C4' energy: -12.108 flat angles C4'-P-C4' energy: -15.972 flat angles P-C4'-P energy: -6.673 tors. eta vs tors. theta energy: -10.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -220.772359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.772359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.772359 (E_RNA) where: Base-Base interactions energy: -119.025 where: short stacking energy: -119.025 Base-Backbone interact. energy: -0.000 local terms energy: -101.747333 where: bonds (distance) C4'-P energy: -19.353 bonds (distance) P-C4' energy: -20.393 flat angles C4'-P-C4' energy: -20.487 flat angles P-C4'-P energy: -14.804 tors. eta vs tors. theta energy: -26.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -204.492946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.492946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.492946 (E_RNA) where: Base-Base interactions energy: -111.380 where: short stacking energy: -111.380 Base-Backbone interact. energy: -0.000 local terms energy: -93.112617 where: bonds (distance) C4'-P energy: -14.856 bonds (distance) P-C4' energy: -19.464 flat angles C4'-P-C4' energy: -22.361 flat angles P-C4'-P energy: -12.077 tors. eta vs tors. theta energy: -24.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -165.871890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.871890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.871890 (E_RNA) where: Base-Base interactions energy: -85.374 where: short stacking energy: -85.374 Base-Backbone interact. energy: -0.111 local terms energy: -80.387438 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -17.228 flat angles C4'-P-C4' energy: -18.698 flat angles P-C4'-P energy: -13.587 tors. eta vs tors. theta energy: -16.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -175.873226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.873226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.873226 (E_RNA) where: Base-Base interactions energy: -88.580 where: short stacking energy: -88.580 Base-Backbone interact. energy: -0.018 local terms energy: -87.275261 where: bonds (distance) C4'-P energy: -17.341 bonds (distance) P-C4' energy: -15.309 flat angles C4'-P-C4' energy: -18.784 flat angles P-C4'-P energy: -16.676 tors. eta vs tors. theta energy: -19.165 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: 9 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -156.894465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.894465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.894465 (E_RNA) where: Base-Base interactions energy: -78.834 where: short stacking energy: -78.439 Base-Backbone interact. energy: -0.095 local terms energy: -77.965739 where: bonds (distance) C4'-P energy: -16.502 bonds (distance) P-C4' energy: -13.968 flat angles C4'-P-C4' energy: -18.151 flat angles P-C4'-P energy: -13.104 tors. eta vs tors. theta energy: -16.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -134.167723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.167723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.167723 (E_RNA) where: Base-Base interactions energy: -66.724 where: short stacking energy: -63.055 Base-Backbone interact. energy: -0.396 local terms energy: -67.047466 where: bonds (distance) C4'-P energy: -16.340 bonds (distance) P-C4' energy: -18.688 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -12.559 tors. eta vs tors. theta energy: -5.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -138.297536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.297536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.297536 (E_RNA) where: Base-Base interactions energy: -67.063 where: short stacking energy: -64.639 Base-Backbone interact. energy: -0.032 local terms energy: -71.202540 where: bonds (distance) C4'-P energy: -16.107 bonds (distance) P-C4' energy: -16.235 flat angles C4'-P-C4' energy: -18.250 flat angles P-C4'-P energy: -8.170 tors. eta vs tors. theta energy: -12.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -146.932229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.932229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.932229 (E_RNA) where: Base-Base interactions energy: -71.443 where: short stacking energy: -72.843 Base-Backbone interact. energy: -0.178 local terms energy: -75.311368 where: bonds (distance) C4'-P energy: -19.361 bonds (distance) P-C4' energy: -14.446 flat angles C4'-P-C4' energy: -12.946 flat angles P-C4'-P energy: -12.400 tors. eta vs tors. theta energy: -16.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -123.299056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.299056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.299056 (E_RNA) where: Base-Base interactions energy: -55.229 where: short stacking energy: -56.098 Base-Backbone interact. energy: 0.823 local terms energy: -68.892841 where: bonds (distance) C4'-P energy: -16.883 bonds (distance) P-C4' energy: -17.544 flat angles C4'-P-C4' energy: -14.776 flat angles P-C4'-P energy: -13.187 tors. eta vs tors. theta energy: -6.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -110.379692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.379692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.379692 (E_RNA) where: Base-Base interactions energy: -46.556 where: short stacking energy: -46.556 Base-Backbone interact. energy: -0.410 local terms energy: -63.413847 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -18.580 flat angles C4'-P-C4' energy: -13.867 flat angles P-C4'-P energy: -12.516 tors. eta vs tors. theta energy: -6.152 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: 184 Temperature: 0.900000 Total energy: -218.403661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.403661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.403661 (E_RNA) where: Base-Base interactions energy: -119.263 where: short stacking energy: -119.263 Base-Backbone interact. energy: -0.050 local terms energy: -99.090863 where: bonds (distance) C4'-P energy: -19.918 bonds (distance) P-C4' energy: -19.733 flat angles C4'-P-C4' energy: -18.126 flat angles P-C4'-P energy: -15.144 tors. eta vs tors. theta energy: -26.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -201.917965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.917965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.917965 (E_RNA) where: Base-Base interactions energy: -108.094 where: short stacking energy: -108.094 Base-Backbone interact. energy: -0.000 local terms energy: -93.823732 where: bonds (distance) C4'-P energy: -18.373 bonds (distance) P-C4' energy: -18.388 flat angles C4'-P-C4' energy: -19.965 flat angles P-C4'-P energy: -13.615 tors. eta vs tors. theta energy: -23.483 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: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -181.833963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.833963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.833963 (E_RNA) where: Base-Base interactions energy: -92.167 where: short stacking energy: -92.167 Base-Backbone interact. energy: -0.054 local terms energy: -89.612921 where: bonds (distance) C4'-P energy: -17.963 bonds (distance) P-C4' energy: -18.597 flat angles C4'-P-C4' energy: -20.215 flat angles P-C4'-P energy: -13.075 tors. eta vs tors. theta energy: -19.763 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: 5 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -161.160456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.160456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.160456 (E_RNA) where: Base-Base interactions energy: -77.872 where: short stacking energy: -77.872 Base-Backbone interact. energy: -0.006 local terms energy: -83.283178 where: bonds (distance) C4'-P energy: -15.967 bonds (distance) P-C4' energy: -21.211 flat angles C4'-P-C4' energy: -20.366 flat angles P-C4'-P energy: -8.147 tors. eta vs tors. theta energy: -17.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -148.016627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.016627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.016627 (E_RNA) where: Base-Base interactions energy: -70.340 where: short stacking energy: -70.340 Base-Backbone interact. energy: -0.093 local terms energy: -77.583484 where: bonds (distance) C4'-P energy: -15.827 bonds (distance) P-C4' energy: -19.055 flat angles C4'-P-C4' energy: -17.968 flat angles P-C4'-P energy: -11.691 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: 3 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -151.085825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.085825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.085825 (E_RNA) where: Base-Base interactions energy: -76.558 where: short stacking energy: -76.558 Base-Backbone interact. energy: -0.053 local terms energy: -74.475230 where: bonds (distance) C4'-P energy: -17.607 bonds (distance) P-C4' energy: -19.119 flat angles C4'-P-C4' energy: -19.874 flat angles P-C4'-P energy: -7.946 tors. eta vs tors. theta energy: -9.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -149.809521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.809521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.809521 (E_RNA) where: Base-Base interactions energy: -77.570 where: short stacking energy: -76.349 Base-Backbone interact. energy: 0.346 local terms energy: -72.585869 where: bonds (distance) C4'-P energy: -15.058 bonds (distance) P-C4' energy: -14.261 flat angles C4'-P-C4' energy: -18.363 flat angles P-C4'-P energy: -12.407 tors. eta vs tors. theta energy: -12.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -126.618948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.618948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.618948 (E_RNA) where: Base-Base interactions energy: -56.620 where: short stacking energy: -56.620 Base-Backbone interact. energy: -0.117 local terms energy: -69.881224 where: bonds (distance) C4'-P energy: -15.751 bonds (distance) P-C4' energy: -18.793 flat angles C4'-P-C4' energy: -16.286 flat angles P-C4'-P energy: -11.108 tors. eta vs tors. theta energy: -7.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -114.304942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.304942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.304942 (E_RNA) where: Base-Base interactions energy: -48.734 where: short stacking energy: -47.745 Base-Backbone interact. energy: -0.012 local terms energy: -65.558837 where: bonds (distance) C4'-P energy: -14.787 bonds (distance) P-C4' energy: -17.262 flat angles C4'-P-C4' energy: -18.102 flat angles P-C4'-P energy: -7.748 tors. eta vs tors. theta energy: -7.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -134.026789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.026789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.026789 (E_RNA) where: Base-Base interactions energy: -68.739 where: short stacking energy: -68.222 Base-Backbone interact. energy: -0.006 local terms energy: -65.281302 where: bonds (distance) C4'-P energy: -14.229 bonds (distance) P-C4' energy: -15.610 flat angles C4'-P-C4' energy: -13.477 flat angles P-C4'-P energy: -13.131 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: 1, replica: 8 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -208.313358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.313358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.313358 (E_RNA) where: Base-Base interactions energy: -106.659 where: short stacking energy: -106.659 Base-Backbone interact. energy: -0.001 local terms energy: -101.652886 where: bonds (distance) C4'-P energy: -20.716 bonds (distance) P-C4' energy: -19.917 flat angles C4'-P-C4' energy: -22.280 flat angles P-C4'-P energy: -14.559 tors. eta vs tors. theta energy: -24.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -207.221247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.221247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.221247 (E_RNA) where: Base-Base interactions energy: -113.257 where: short stacking energy: -113.257 Base-Backbone interact. energy: -0.000 local terms energy: -93.964090 where: bonds (distance) C4'-P energy: -20.033 bonds (distance) P-C4' energy: -16.938 flat angles C4'-P-C4' energy: -21.079 flat angles P-C4'-P energy: -12.732 tors. eta vs tors. theta energy: -23.183 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: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -187.198812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.198812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.198812 (E_RNA) where: Base-Base interactions energy: -97.253 where: short stacking energy: -97.253 Base-Backbone interact. energy: 1.696 local terms energy: -91.641756 where: bonds (distance) C4'-P energy: -18.576 bonds (distance) P-C4' energy: -18.888 flat angles C4'-P-C4' energy: -18.173 flat angles P-C4'-P energy: -14.902 tors. eta vs tors. theta energy: -21.104 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: 9 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -174.277639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.277639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.277639 (E_RNA) where: Base-Base interactions energy: -94.888 where: short stacking energy: -94.888 Base-Backbone interact. energy: -0.070 local terms energy: -79.319643 where: bonds (distance) C4'-P energy: -17.991 bonds (distance) P-C4' energy: -14.730 flat angles C4'-P-C4' energy: -20.940 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -21.180 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: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -175.551685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.551685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.551685 (E_RNA) where: Base-Base interactions energy: -97.690 where: short stacking energy: -97.690 Base-Backbone interact. energy: -0.012 local terms energy: -77.849732 where: bonds (distance) C4'-P energy: -18.410 bonds (distance) P-C4' energy: -17.132 flat angles C4'-P-C4' energy: -18.109 flat angles P-C4'-P energy: -8.485 tors. eta vs tors. theta energy: -15.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -163.474315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.474315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.474315 (E_RNA) where: Base-Base interactions energy: -80.885 where: short stacking energy: -80.180 Base-Backbone interact. energy: -0.099 local terms energy: -82.490780 where: bonds (distance) C4'-P energy: -14.659 bonds (distance) P-C4' energy: -17.381 flat angles C4'-P-C4' energy: -16.558 flat angles P-C4'-P energy: -13.394 tors. eta vs tors. theta energy: -20.498 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: 3 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -136.613138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.613138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.613138 (E_RNA) where: Base-Base interactions energy: -64.433 where: short stacking energy: -64.433 Base-Backbone interact. energy: 1.504 local terms energy: -73.684332 where: bonds (distance) C4'-P energy: -12.327 bonds (distance) P-C4' energy: -21.234 flat angles C4'-P-C4' energy: -19.997 flat angles P-C4'-P energy: -8.298 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: 8, replica: 10 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -135.720631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.720631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.720631 (E_RNA) where: Base-Base interactions energy: -64.772 where: short stacking energy: -64.772 Base-Backbone interact. energy: -0.017 local terms energy: -70.931842 where: bonds (distance) C4'-P energy: -14.361 bonds (distance) P-C4' energy: -17.230 flat angles C4'-P-C4' energy: -17.548 flat angles P-C4'-P energy: -9.937 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: 9, replica: 7 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -134.716745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.716745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.716745 (E_RNA) where: Base-Base interactions energy: -68.465 where: short stacking energy: -68.465 Base-Backbone interact. energy: -0.127 local terms energy: -66.125381 where: bonds (distance) C4'-P energy: -14.368 bonds (distance) P-C4' energy: -7.217 flat angles C4'-P-C4' energy: -21.206 flat angles P-C4'-P energy: -10.326 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: 10, replica: 2 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -128.175846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.175846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.175846 (E_RNA) where: Base-Base interactions energy: -64.285 where: short stacking energy: -63.846 Base-Backbone interact. energy: -0.554 local terms energy: -63.336533 where: bonds (distance) C4'-P energy: -6.314 bonds (distance) P-C4' energy: -18.043 flat angles C4'-P-C4' energy: -16.143 flat angles P-C4'-P energy: -11.983 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: 1, replica: 6 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -211.345014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.345014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.345014 (E_RNA) where: Base-Base interactions energy: -119.131 where: short stacking energy: -119.131 Base-Backbone interact. energy: -0.000 local terms energy: -92.213601 where: bonds (distance) C4'-P energy: -18.041 bonds (distance) P-C4' energy: -17.004 flat angles C4'-P-C4' energy: -17.415 flat angles P-C4'-P energy: -11.067 tors. eta vs tors. theta energy: -28.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -198.020898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.020898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.020898 (E_RNA) where: Base-Base interactions energy: -108.861 where: short stacking energy: -108.861 Base-Backbone interact. energy: -0.033 local terms energy: -89.126713 where: bonds (distance) C4'-P energy: -17.549 bonds (distance) P-C4' energy: -17.227 flat angles C4'-P-C4' energy: -19.674 flat angles P-C4'-P energy: -10.391 tors. eta vs tors. theta energy: -24.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -181.878821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.878821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.878821 (E_RNA) where: Base-Base interactions energy: -103.221 where: short stacking energy: -100.895 Base-Backbone interact. energy: -0.109 local terms energy: -78.548307 where: bonds (distance) C4'-P energy: -17.785 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -17.588 flat angles P-C4'-P energy: -11.678 tors. eta vs tors. theta energy: -17.553 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: 9 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -170.207422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.207422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.207422 (E_RNA) where: Base-Base interactions energy: -91.813 where: short stacking energy: -91.813 Base-Backbone interact. energy: -0.068 local terms energy: -78.326484 where: bonds (distance) C4'-P energy: -14.962 bonds (distance) P-C4' energy: -10.579 flat angles C4'-P-C4' energy: -21.344 flat angles P-C4'-P energy: -14.466 tors. eta vs tors. theta energy: -16.975 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: 4 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -153.436657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.436657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.436657 (E_RNA) where: Base-Base interactions energy: -71.794 where: short stacking energy: -72.351 Base-Backbone interact. energy: -0.064 local terms energy: -81.578100 where: bonds (distance) C4'-P energy: -20.364 bonds (distance) P-C4' energy: -19.264 flat angles C4'-P-C4' energy: -18.156 flat angles P-C4'-P energy: -11.443 tors. eta vs tors. theta energy: -12.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -169.017544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.017544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.017544 (E_RNA) where: Base-Base interactions energy: -91.973 where: short stacking energy: -86.265 Base-Backbone interact. energy: 0.381 local terms energy: -77.426111 where: bonds (distance) C4'-P energy: -10.159 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -20.837 flat angles P-C4'-P energy: -13.607 tors. eta vs tors. theta energy: -17.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -137.501896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.501896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.501896 (E_RNA) where: Base-Base interactions energy: -70.797 where: short stacking energy: -70.797 Base-Backbone interact. energy: -0.198 local terms energy: -66.506974 where: bonds (distance) C4'-P energy: -14.555 bonds (distance) P-C4' energy: -15.409 flat angles C4'-P-C4' energy: -18.143 flat angles P-C4'-P energy: -9.158 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: 8, replica: 10 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -132.620357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.620357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.620357 (E_RNA) where: Base-Base interactions energy: -68.156 where: short stacking energy: -66.326 Base-Backbone interact. energy: -0.258 local terms energy: -64.206234 where: bonds (distance) C4'-P energy: -10.655 bonds (distance) P-C4' energy: -14.701 flat angles C4'-P-C4' energy: -14.850 flat angles P-C4'-P energy: -14.214 tors. eta vs tors. theta energy: -9.786 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: 2 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -112.359442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.359442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.359442 (E_RNA) where: Base-Base interactions energy: -45.320 where: short stacking energy: -45.231 Base-Backbone interact. energy: -0.074 local terms energy: -66.965941 where: bonds (distance) C4'-P energy: -14.562 bonds (distance) P-C4' energy: -16.241 flat angles C4'-P-C4' energy: -16.947 flat angles P-C4'-P energy: -12.682 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: 10, replica: 7 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -102.795067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.795067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.795067 (E_RNA) where: Base-Base interactions energy: -47.898 where: short stacking energy: -47.898 Base-Backbone interact. energy: -0.351 local terms energy: -54.545676 where: bonds (distance) C4'-P energy: -10.615 bonds (distance) P-C4' energy: -20.487 flat angles C4'-P-C4' energy: -13.761 flat angles P-C4'-P energy: -5.050 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: 1, replica: 6 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -207.272438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.272438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.272438 (E_RNA) where: Base-Base interactions energy: -110.427 where: short stacking energy: -108.629 Base-Backbone interact. energy: -0.001 local terms energy: -96.844133 where: bonds (distance) C4'-P energy: -20.132 bonds (distance) P-C4' energy: -16.883 flat angles C4'-P-C4' energy: -20.329 flat angles P-C4'-P energy: -14.055 tors. eta vs tors. theta energy: -25.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -178.167789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.167789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.167789 (E_RNA) where: Base-Base interactions energy: -87.864 where: short stacking energy: -87.483 Base-Backbone interact. energy: -0.168 local terms energy: -90.135787 where: bonds (distance) C4'-P energy: -18.351 bonds (distance) P-C4' energy: -20.992 flat angles C4'-P-C4' energy: -18.784 flat angles P-C4'-P energy: -15.489 tors. eta vs tors. theta energy: -16.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -188.579843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.579843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.579843 (E_RNA) where: Base-Base interactions energy: -100.386 where: short stacking energy: -100.386 Base-Backbone interact. energy: -0.004 local terms energy: -88.189822 where: bonds (distance) C4'-P energy: -15.227 bonds (distance) P-C4' energy: -20.448 flat angles C4'-P-C4' energy: -18.173 flat angles P-C4'-P energy: -11.894 tors. eta vs tors. theta energy: -22.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -167.602714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.602714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.602714 (E_RNA) where: Base-Base interactions energy: -85.679 where: short stacking energy: -85.473 Base-Backbone interact. energy: -0.040 local terms energy: -81.884489 where: bonds (distance) C4'-P energy: -18.867 bonds (distance) P-C4' energy: -16.030 flat angles C4'-P-C4' energy: -19.144 flat angles P-C4'-P energy: -11.840 tors. eta vs tors. theta energy: -16.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -159.159748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.159748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.159748 (E_RNA) where: Base-Base interactions energy: -77.504 where: short stacking energy: -77.504 Base-Backbone interact. energy: -0.004 local terms energy: -81.651741 where: bonds (distance) C4'-P energy: -18.366 bonds (distance) P-C4' energy: -15.768 flat angles C4'-P-C4' energy: -13.524 flat angles P-C4'-P energy: -16.919 tors. eta vs tors. theta energy: -17.075 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: 5 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -161.418738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.418738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.418738 (E_RNA) where: Base-Base interactions energy: -79.244 where: short stacking energy: -79.244 Base-Backbone interact. energy: -0.041 local terms energy: -82.133798 where: bonds (distance) C4'-P energy: -17.286 bonds (distance) P-C4' energy: -19.781 flat angles C4'-P-C4' energy: -16.534 flat angles P-C4'-P energy: -13.345 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: 7, replica: 3 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -151.341682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.341682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.341682 (E_RNA) where: Base-Base interactions energy: -72.917 where: short stacking energy: -72.917 Base-Backbone interact. energy: -0.001 local terms energy: -78.423368 where: bonds (distance) C4'-P energy: -18.166 bonds (distance) P-C4' energy: -17.366 flat angles C4'-P-C4' energy: -13.952 flat angles P-C4'-P energy: -8.312 tors. eta vs tors. theta energy: -20.628 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: 2 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -128.186559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.186559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.186559 (E_RNA) where: Base-Base interactions energy: -58.993 where: short stacking energy: -58.993 Base-Backbone interact. energy: -0.025 local terms energy: -69.168576 where: bonds (distance) C4'-P energy: -13.884 bonds (distance) P-C4' energy: -17.108 flat angles C4'-P-C4' energy: -13.318 flat angles P-C4'-P energy: -11.448 tors. eta vs tors. theta energy: -13.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -113.278528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.278528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.278528 (E_RNA) where: Base-Base interactions energy: -52.686 where: short stacking energy: -52.538 Base-Backbone interact. energy: -0.077 local terms energy: -60.515680 where: bonds (distance) C4'-P energy: -13.404 bonds (distance) P-C4' energy: -16.149 flat angles C4'-P-C4' energy: -11.363 flat angles P-C4'-P energy: -10.480 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: 7 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -115.112008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.112008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.112008 (E_RNA) where: Base-Base interactions energy: -54.803 where: short stacking energy: -54.803 Base-Backbone interact. energy: -0.181 local terms energy: -60.127896 where: bonds (distance) C4'-P energy: -16.414 bonds (distance) P-C4' energy: -14.307 flat angles C4'-P-C4' energy: -14.457 flat angles P-C4'-P energy: -6.919 tors. eta vs tors. theta energy: -8.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -187.894746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.894746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.894746 (E_RNA) where: Base-Base interactions energy: -98.419 where: short stacking energy: -98.419 Base-Backbone interact. energy: -0.073 local terms energy: -89.402874 where: bonds (distance) C4'-P energy: -18.559 bonds (distance) P-C4' energy: -20.248 flat angles C4'-P-C4' energy: -18.760 flat angles P-C4'-P energy: -15.630 tors. eta vs tors. theta energy: -16.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -210.936911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.936911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.936911 (E_RNA) where: Base-Base interactions energy: -110.793 where: short stacking energy: -110.793 Base-Backbone interact. energy: -0.000 local terms energy: -100.143858 where: bonds (distance) C4'-P energy: -19.085 bonds (distance) P-C4' energy: -22.109 flat angles C4'-P-C4' energy: -20.677 flat angles P-C4'-P energy: -12.176 tors. eta vs tors. theta energy: -26.097 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: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -180.236605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.236605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.236605 (E_RNA) where: Base-Base interactions energy: -99.324 where: short stacking energy: -99.319 Base-Backbone interact. energy: -0.928 local terms energy: -79.985107 where: bonds (distance) C4'-P energy: -19.450 bonds (distance) P-C4' energy: -11.181 flat angles C4'-P-C4' energy: -17.771 flat angles P-C4'-P energy: -11.695 tors. eta vs tors. theta energy: -19.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -185.000100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.000100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.000100 (E_RNA) where: Base-Base interactions energy: -94.575 where: short stacking energy: -94.575 Base-Backbone interact. energy: -0.213 local terms energy: -90.212275 where: bonds (distance) C4'-P energy: -15.400 bonds (distance) P-C4' energy: -20.069 flat angles C4'-P-C4' energy: -20.405 flat angles P-C4'-P energy: -14.734 tors. eta vs tors. theta energy: -19.605 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: 4 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -176.416075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.416075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.416075 (E_RNA) where: Base-Base interactions energy: -90.463 where: short stacking energy: -90.463 Base-Backbone interact. energy: -0.004 local terms energy: -85.949526 where: bonds (distance) C4'-P energy: -19.926 bonds (distance) P-C4' energy: -16.426 flat angles C4'-P-C4' energy: -17.582 flat angles P-C4'-P energy: -9.300 tors. eta vs tors. theta energy: -22.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -155.812572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.812572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.812572 (E_RNA) where: Base-Base interactions energy: -87.730 where: short stacking energy: -85.796 Base-Backbone interact. energy: -0.503 local terms energy: -67.579508 where: bonds (distance) C4'-P energy: -15.947 bonds (distance) P-C4' energy: -19.126 flat angles C4'-P-C4' energy: -9.788 flat angles P-C4'-P energy: -8.733 tors. eta vs tors. theta energy: -13.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -171.995144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.995144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.995144 (E_RNA) where: Base-Base interactions energy: -89.786 where: short stacking energy: -89.786 Base-Backbone interact. energy: -0.005 local terms energy: -82.204612 where: bonds (distance) C4'-P energy: -20.829 bonds (distance) P-C4' energy: -15.384 flat angles C4'-P-C4' energy: -17.213 flat angles P-C4'-P energy: -8.840 tors. eta vs tors. theta energy: -19.939 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: 188 Temperature: 1.250000 Total energy: -132.102431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.102431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.102431 (E_RNA) where: Base-Base interactions energy: -61.824 where: short stacking energy: -61.824 Base-Backbone interact. energy: -0.148 local terms energy: -70.129943 where: bonds (distance) C4'-P energy: -19.680 bonds (distance) P-C4' energy: -15.573 flat angles C4'-P-C4' energy: -16.554 flat angles P-C4'-P energy: -6.455 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: 9, replica: 7 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -113.511034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.511034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.511034 (E_RNA) where: Base-Base interactions energy: -57.934 where: short stacking energy: -57.934 Base-Backbone interact. energy: -0.125 local terms energy: -55.451557 where: bonds (distance) C4'-P energy: -8.300 bonds (distance) P-C4' energy: -16.445 flat angles C4'-P-C4' energy: -10.759 flat angles P-C4'-P energy: -5.646 tors. eta vs tors. theta energy: -14.302 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: 10, replica: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -106.129332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.129332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.129332 (E_RNA) where: Base-Base interactions energy: -47.319 where: short stacking energy: -47.319 Base-Backbone interact. energy: -0.305 local terms energy: -58.504794 where: bonds (distance) C4'-P energy: -9.178 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -16.431 flat angles P-C4'-P energy: -7.125 tors. eta vs tors. theta energy: -9.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -194.781204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.781204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.781204 (E_RNA) where: Base-Base interactions energy: -105.138 where: short stacking energy: -105.138 Base-Backbone interact. energy: 0.915 local terms energy: -90.558184 where: bonds (distance) C4'-P energy: -16.200 bonds (distance) P-C4' energy: -16.517 flat angles C4'-P-C4' energy: -22.058 flat angles P-C4'-P energy: -13.600 tors. eta vs tors. theta energy: -22.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -199.778183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.778183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.778183 (E_RNA) where: Base-Base interactions energy: -109.231 where: short stacking energy: -109.231 Base-Backbone interact. energy: -0.016 local terms energy: -90.531239 where: bonds (distance) C4'-P energy: -17.198 bonds (distance) P-C4' energy: -18.127 flat angles C4'-P-C4' energy: -20.370 flat angles P-C4'-P energy: -12.904 tors. eta vs tors. theta energy: -21.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -198.023181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.023181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.023181 (E_RNA) where: Base-Base interactions energy: -105.630 where: short stacking energy: -102.781 Base-Backbone interact. energy: -0.051 local terms energy: -92.342508 where: bonds (distance) C4'-P energy: -14.163 bonds (distance) P-C4' energy: -20.118 flat angles C4'-P-C4' energy: -19.655 flat angles P-C4'-P energy: -14.983 tors. eta vs tors. theta energy: -23.425 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: 9 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -178.123340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.123340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.123340 (E_RNA) where: Base-Base interactions energy: -90.047 where: short stacking energy: -90.047 Base-Backbone interact. energy: -0.043 local terms energy: -88.033123 where: bonds (distance) C4'-P energy: -16.039 bonds (distance) P-C4' energy: -18.233 flat angles C4'-P-C4' energy: -20.706 flat angles P-C4'-P energy: -12.444 tors. eta vs tors. theta energy: -20.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -167.446346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.446346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.446346 (E_RNA) where: Base-Base interactions energy: -98.293 where: short stacking energy: -98.293 Base-Backbone interact. energy: -0.152 local terms energy: -69.001906 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -17.321 flat angles C4'-P-C4' energy: -11.454 flat angles P-C4'-P energy: -9.620 tors. eta vs tors. theta energy: -19.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -144.225774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.225774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.225774 (E_RNA) where: Base-Base interactions energy: -69.607 where: short stacking energy: -69.607 Base-Backbone interact. energy: -0.499 local terms energy: -74.119720 where: bonds (distance) C4'-P energy: -15.405 bonds (distance) P-C4' energy: -19.141 flat angles C4'-P-C4' energy: -17.531 flat angles P-C4'-P energy: -12.826 tors. eta vs tors. theta energy: -9.217 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: 5 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -161.036592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.036592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.036592 (E_RNA) where: Base-Base interactions energy: -80.131 where: short stacking energy: -80.131 Base-Backbone interact. energy: -0.011 local terms energy: -80.894154 where: bonds (distance) C4'-P energy: -16.743 bonds (distance) P-C4' energy: -18.104 flat angles C4'-P-C4' energy: -15.763 flat angles P-C4'-P energy: -11.634 tors. eta vs tors. theta energy: -18.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -119.705581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.705581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.705581 (E_RNA) where: Base-Base interactions energy: -57.327 where: short stacking energy: -54.815 Base-Backbone interact. energy: -0.499 local terms energy: -61.879514 where: bonds (distance) C4'-P energy: -18.195 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -10.827 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: 9, replica: 2 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -122.948239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.948239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.948239 (E_RNA) where: Base-Base interactions energy: -60.880 where: short stacking energy: -59.905 Base-Backbone interact. energy: -0.010 local terms energy: -62.058022 where: bonds (distance) C4'-P energy: -17.860 bonds (distance) P-C4' energy: -12.656 flat angles C4'-P-C4' energy: -11.671 flat angles P-C4'-P energy: -10.919 tors. eta vs tors. theta energy: -8.953 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: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -114.939858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.939858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.939858 (E_RNA) where: Base-Base interactions energy: -52.075 where: short stacking energy: -52.075 Base-Backbone interact. energy: -0.206 local terms energy: -62.658437 where: bonds (distance) C4'-P energy: -17.102 bonds (distance) P-C4' energy: -15.042 flat angles C4'-P-C4' energy: -11.143 flat angles P-C4'-P energy: -11.947 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: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -209.727993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.727993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.727993 (E_RNA) where: Base-Base interactions energy: -111.316 where: short stacking energy: -111.722 Base-Backbone interact. energy: -0.002 local terms energy: -98.409918 where: bonds (distance) C4'-P energy: -17.433 bonds (distance) P-C4' energy: -19.753 flat angles C4'-P-C4' energy: -23.068 flat angles P-C4'-P energy: -14.171 tors. eta vs tors. theta energy: -23.986 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: 2, replica: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -205.158417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.158417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.158417 (E_RNA) where: Base-Base interactions energy: -108.375 where: short stacking energy: -108.375 Base-Backbone interact. energy: -0.044 local terms energy: -96.739528 where: bonds (distance) C4'-P energy: -18.029 bonds (distance) P-C4' energy: -19.486 flat angles C4'-P-C4' energy: -18.736 flat angles P-C4'-P energy: -15.261 tors. eta vs tors. theta energy: -25.228 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: 9 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -191.248199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.248199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.248199 (E_RNA) where: Base-Base interactions energy: -96.669 where: short stacking energy: -96.669 Base-Backbone interact. energy: -0.008 local terms energy: -94.571562 where: bonds (distance) C4'-P energy: -17.417 bonds (distance) P-C4' energy: -18.564 flat angles C4'-P-C4' energy: -22.020 flat angles P-C4'-P energy: -14.202 tors. eta vs tors. theta energy: -22.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -195.066995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.066995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.066995 (E_RNA) where: Base-Base interactions energy: -102.522 where: short stacking energy: -102.522 Base-Backbone interact. energy: -0.010 local terms energy: -92.535309 where: bonds (distance) C4'-P energy: -20.158 bonds (distance) P-C4' energy: -18.303 flat angles C4'-P-C4' energy: -15.981 flat angles P-C4'-P energy: -14.148 tors. eta vs tors. theta energy: -23.946 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: 3 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -146.548699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.548699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.548699 (E_RNA) where: Base-Base interactions energy: -72.293 where: short stacking energy: -72.293 Base-Backbone interact. energy: -0.134 local terms energy: -74.122030 where: bonds (distance) C4'-P energy: -18.252 bonds (distance) P-C4' energy: -15.462 flat angles C4'-P-C4' energy: -19.498 flat angles P-C4'-P energy: -8.621 tors. eta vs tors. theta energy: -12.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -166.697441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.697441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.697441 (E_RNA) where: Base-Base interactions energy: -78.024 where: short stacking energy: -78.024 Base-Backbone interact. energy: -0.374 local terms energy: -88.299161 where: bonds (distance) C4'-P energy: -19.145 bonds (distance) P-C4' energy: -20.461 flat angles C4'-P-C4' energy: -20.188 flat angles P-C4'-P energy: -11.483 tors. eta vs tors. theta energy: -17.022 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: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -144.779173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.779173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.779173 (E_RNA) where: Base-Base interactions energy: -68.404 where: short stacking energy: -68.404 Base-Backbone interact. energy: -2.008 local terms energy: -74.367066 where: bonds (distance) C4'-P energy: -17.086 bonds (distance) P-C4' energy: -21.050 flat angles C4'-P-C4' energy: -14.066 flat angles P-C4'-P energy: -10.236 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: 8, replica: 7 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -130.688962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.688962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.688962 (E_RNA) where: Base-Base interactions energy: -68.590 where: short stacking energy: -68.590 Base-Backbone interact. energy: 0.418 local terms energy: -62.516975 where: bonds (distance) C4'-P energy: -18.099 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -13.317 flat angles P-C4'-P energy: -8.616 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: 9, replica: 10 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -134.249258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.249258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.249258 (E_RNA) where: Base-Base interactions energy: -61.741 where: short stacking energy: -61.741 Base-Backbone interact. energy: -0.322 local terms energy: -72.185690 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -18.915 flat angles C4'-P-C4' energy: -17.399 flat angles P-C4'-P energy: -12.280 tors. eta vs tors. theta energy: -13.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -118.719524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.719524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.719524 (E_RNA) where: Base-Base interactions energy: -61.549 where: short stacking energy: -61.549 Base-Backbone interact. energy: -0.868 local terms energy: -56.302739 where: bonds (distance) C4'-P energy: -12.944 bonds (distance) P-C4' energy: -10.642 flat angles C4'-P-C4' energy: -14.322 flat angles P-C4'-P energy: -10.256 tors. eta vs tors. theta energy: -8.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -206.610663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.610663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.610663 (E_RNA) where: Base-Base interactions energy: -113.063 where: short stacking energy: -113.063 Base-Backbone interact. energy: -0.022 local terms energy: -93.525593 where: bonds (distance) C4'-P energy: -21.287 bonds (distance) P-C4' energy: -19.955 flat angles C4'-P-C4' energy: -18.937 flat angles P-C4'-P energy: -11.663 tors. eta vs tors. theta energy: -21.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -200.952526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.952526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.952526 (E_RNA) where: Base-Base interactions energy: -113.285 where: short stacking energy: -113.285 Base-Backbone interact. energy: -0.003 local terms energy: -87.664232 where: bonds (distance) C4'-P energy: -17.069 bonds (distance) P-C4' energy: -19.918 flat angles C4'-P-C4' energy: -18.668 flat angles P-C4'-P energy: -8.409 tors. eta vs tors. theta energy: -23.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -183.548538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.548538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.548538 (E_RNA) where: Base-Base interactions energy: -93.018 where: short stacking energy: -93.218 Base-Backbone interact. energy: -1.294 local terms energy: -89.236402 where: bonds (distance) C4'-P energy: -16.278 bonds (distance) P-C4' energy: -19.021 flat angles C4'-P-C4' energy: -20.826 flat angles P-C4'-P energy: -10.713 tors. eta vs tors. theta energy: -22.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -199.828629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.828629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.828629 (E_RNA) where: Base-Base interactions energy: -106.556 where: short stacking energy: -106.556 Base-Backbone interact. energy: -0.135 local terms energy: -93.137781 where: bonds (distance) C4'-P energy: -15.355 bonds (distance) P-C4' energy: -18.615 flat angles C4'-P-C4' energy: -21.627 flat angles P-C4'-P energy: -11.551 tors. eta vs tors. theta energy: -25.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -148.675797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.675797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.675797 (E_RNA) where: Base-Base interactions energy: -76.797 where: short stacking energy: -76.797 Base-Backbone interact. energy: -0.144 local terms energy: -71.735483 where: bonds (distance) C4'-P energy: -14.626 bonds (distance) P-C4' energy: -17.273 flat angles C4'-P-C4' energy: -11.939 flat angles P-C4'-P energy: -12.618 tors. eta vs tors. theta energy: -15.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -154.858290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.858290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.858290 (E_RNA) where: Base-Base interactions energy: -79.671 where: short stacking energy: -79.671 Base-Backbone interact. energy: -0.003 local terms energy: -75.184310 where: bonds (distance) C4'-P energy: -16.082 bonds (distance) P-C4' energy: -16.176 flat angles C4'-P-C4' energy: -18.771 flat angles P-C4'-P energy: -11.915 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: 7, replica: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -160.716187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.716187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.716187 (E_RNA) where: Base-Base interactions energy: -81.343 where: short stacking energy: -81.343 Base-Backbone interact. energy: -0.182 local terms energy: -79.190817 where: bonds (distance) C4'-P energy: -13.832 bonds (distance) P-C4' energy: -19.890 flat angles C4'-P-C4' energy: -16.642 flat angles P-C4'-P energy: -11.956 tors. eta vs tors. theta energy: -16.871 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: 10 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -130.031180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.031180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.031180 (E_RNA) where: Base-Base interactions energy: -64.601 where: short stacking energy: -64.601 Base-Backbone interact. energy: -0.117 local terms energy: -65.313223 where: bonds (distance) C4'-P energy: -12.187 bonds (distance) P-C4' energy: -18.759 flat angles C4'-P-C4' energy: -13.518 flat angles P-C4'-P energy: -12.558 tors. eta vs tors. theta energy: -8.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -122.025173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.025173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.025173 (E_RNA) where: Base-Base interactions energy: -50.896 where: short stacking energy: -50.896 Base-Backbone interact. energy: -0.206 local terms energy: -70.923310 where: bonds (distance) C4'-P energy: -18.133 bonds (distance) P-C4' energy: -15.595 flat angles C4'-P-C4' energy: -15.503 flat angles P-C4'-P energy: -11.988 tors. eta vs tors. theta energy: -9.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -109.607208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.607208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.607208 (E_RNA) where: Base-Base interactions energy: -51.106 where: short stacking energy: -51.106 Base-Backbone interact. energy: -0.029 local terms energy: -58.472761 where: bonds (distance) C4'-P energy: -14.025 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -17.835 flat angles P-C4'-P energy: -8.432 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: 1, replica: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -199.519371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.519371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.519371 (E_RNA) where: Base-Base interactions energy: -104.837 where: short stacking energy: -104.837 Base-Backbone interact. energy: -0.035 local terms energy: -94.648086 where: bonds (distance) C4'-P energy: -17.586 bonds (distance) P-C4' energy: -19.761 flat angles C4'-P-C4' energy: -20.012 flat angles P-C4'-P energy: -14.281 tors. eta vs tors. theta energy: -23.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -204.304326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.304326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.304326 (E_RNA) where: Base-Base interactions energy: -108.584 where: short stacking energy: -108.584 Base-Backbone interact. energy: -0.352 local terms energy: -95.368956 where: bonds (distance) C4'-P energy: -14.432 bonds (distance) P-C4' energy: -20.983 flat angles C4'-P-C4' energy: -18.626 flat angles P-C4'-P energy: -15.297 tors. eta vs tors. theta energy: -26.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -184.964704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.964704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.964704 (E_RNA) where: Base-Base interactions energy: -102.563 where: short stacking energy: -102.563 Base-Backbone interact. energy: -0.036 local terms energy: -82.365330 where: bonds (distance) C4'-P energy: -11.338 bonds (distance) P-C4' energy: -18.899 flat angles C4'-P-C4' energy: -18.434 flat angles P-C4'-P energy: -12.375 tors. eta vs tors. theta energy: -21.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -176.873195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.873195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.873195 (E_RNA) where: Base-Base interactions energy: -95.750 where: short stacking energy: -95.098 Base-Backbone interact. energy: -0.046 local terms energy: -81.077955 where: bonds (distance) C4'-P energy: -18.270 bonds (distance) P-C4' energy: -19.420 flat angles C4'-P-C4' energy: -15.913 flat angles P-C4'-P energy: -8.331 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: 5, replica: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -180.914234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.914234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.914234 (E_RNA) where: Base-Base interactions energy: -97.014 where: short stacking energy: -96.029 Base-Backbone interact. energy: -0.576 local terms energy: -83.324792 where: bonds (distance) C4'-P energy: -13.351 bonds (distance) P-C4' energy: -17.349 flat angles C4'-P-C4' energy: -20.069 flat angles P-C4'-P energy: -11.356 tors. eta vs tors. theta energy: -21.200 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: 4 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -153.058032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.058032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.058032 (E_RNA) where: Base-Base interactions energy: -73.228 where: short stacking energy: -71.422 Base-Backbone interact. energy: -0.176 local terms energy: -79.654147 where: bonds (distance) C4'-P energy: -17.744 bonds (distance) P-C4' energy: -15.818 flat angles C4'-P-C4' energy: -15.142 flat angles P-C4'-P energy: -15.129 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: 7, replica: 10 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -141.384200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.384200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.384200 (E_RNA) where: Base-Base interactions energy: -64.480 where: short stacking energy: -64.480 Base-Backbone interact. energy: -0.030 local terms energy: -76.873614 where: bonds (distance) C4'-P energy: -15.873 bonds (distance) P-C4' energy: -18.129 flat angles C4'-P-C4' energy: -19.655 flat angles P-C4'-P energy: -10.906 tors. eta vs tors. theta energy: -12.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -138.647847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.647847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.647847 (E_RNA) where: Base-Base interactions energy: -72.664 where: short stacking energy: -70.440 Base-Backbone interact. energy: -0.065 local terms energy: -65.918865 where: bonds (distance) C4'-P energy: -14.544 bonds (distance) P-C4' energy: -14.328 flat angles C4'-P-C4' energy: -17.382 flat angles P-C4'-P energy: -6.334 tors. eta vs tors. theta energy: -13.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -123.401290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.401290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.401290 (E_RNA) where: Base-Base interactions energy: -54.528 where: short stacking energy: -54.528 Base-Backbone interact. energy: 0.137 local terms energy: -69.010647 where: bonds (distance) C4'-P energy: -15.061 bonds (distance) P-C4' energy: -19.837 flat angles C4'-P-C4' energy: -13.577 flat angles P-C4'-P energy: -14.381 tors. eta vs tors. theta energy: -6.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -103.915697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.915697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.915697 (E_RNA) where: Base-Base interactions energy: -54.518 where: short stacking energy: -54.166 Base-Backbone interact. energy: -0.327 local terms energy: -49.070161 where: bonds (distance) C4'-P energy: -15.334 bonds (distance) P-C4' energy: -15.272 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -8.357 tors. eta vs tors. theta energy: -1.364 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: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -196.348002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.348002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.348002 (E_RNA) where: Base-Base interactions energy: -101.969 where: short stacking energy: -101.969 Base-Backbone interact. energy: -0.059 local terms energy: -94.320131 where: bonds (distance) C4'-P energy: -19.594 bonds (distance) P-C4' energy: -17.941 flat angles C4'-P-C4' energy: -20.937 flat angles P-C4'-P energy: -14.290 tors. eta vs tors. theta energy: -21.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -187.701424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.701424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.701424 (E_RNA) where: Base-Base interactions energy: -98.943 where: short stacking energy: -98.943 Base-Backbone interact. energy: -0.362 local terms energy: -88.396415 where: bonds (distance) C4'-P energy: -18.691 bonds (distance) P-C4' energy: -20.887 flat angles C4'-P-C4' energy: -19.519 flat angles P-C4'-P energy: -11.582 tors. eta vs tors. theta energy: -17.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -181.042934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.042934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.042934 (E_RNA) where: Base-Base interactions energy: -99.773 where: short stacking energy: -99.773 Base-Backbone interact. energy: -0.744 local terms energy: -80.526274 where: bonds (distance) C4'-P energy: -14.058 bonds (distance) P-C4' energy: -18.172 flat angles C4'-P-C4' energy: -17.770 flat angles P-C4'-P energy: -11.049 tors. eta vs tors. theta energy: -19.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -190.956285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.956285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.956285 (E_RNA) where: Base-Base interactions energy: -101.812 where: short stacking energy: -101.812 Base-Backbone interact. energy: -0.000 local terms energy: -89.144419 where: bonds (distance) C4'-P energy: -19.979 bonds (distance) P-C4' energy: -18.217 flat angles C4'-P-C4' energy: -19.734 flat angles P-C4'-P energy: -10.792 tors. eta vs tors. theta energy: -20.422 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: 193 Temperature: 1.100000 Total energy: -163.608491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.608491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.608491 (E_RNA) where: Base-Base interactions energy: -78.474 where: short stacking energy: -78.474 Base-Backbone interact. energy: -0.020 local terms energy: -85.115095 where: bonds (distance) C4'-P energy: -16.224 bonds (distance) P-C4' energy: -19.270 flat angles C4'-P-C4' energy: -16.754 flat angles P-C4'-P energy: -14.730 tors. eta vs tors. theta energy: -18.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -135.780248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.780248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.780248 (E_RNA) where: Base-Base interactions energy: -69.954 where: short stacking energy: -69.954 Base-Backbone interact. energy: -0.254 local terms energy: -65.571958 where: bonds (distance) C4'-P energy: -11.852 bonds (distance) P-C4' energy: -14.383 flat angles C4'-P-C4' energy: -19.633 flat angles P-C4'-P energy: -8.852 tors. eta vs tors. theta energy: -10.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -119.784511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.784511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.784511 (E_RNA) where: Base-Base interactions energy: -59.332 where: short stacking energy: -59.097 Base-Backbone interact. energy: -0.345 local terms energy: -60.107450 where: bonds (distance) C4'-P energy: -14.843 bonds (distance) P-C4' energy: -18.002 flat angles C4'-P-C4' energy: -11.744 flat angles P-C4'-P energy: -6.342 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: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -139.271664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.271664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.271664 (E_RNA) where: Base-Base interactions energy: -72.492 where: short stacking energy: -69.858 Base-Backbone interact. energy: 0.182 local terms energy: -66.961260 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -16.540 flat angles C4'-P-C4' energy: -17.100 flat angles P-C4'-P energy: -7.469 tors. eta vs tors. theta energy: -12.382 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: 9, replica: 5 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -124.784261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.784261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.784261 (E_RNA) where: Base-Base interactions energy: -53.447 where: short stacking energy: -53.447 Base-Backbone interact. energy: -0.258 local terms energy: -71.079186 where: bonds (distance) C4'-P energy: -18.626 bonds (distance) P-C4' energy: -18.356 flat angles C4'-P-C4' energy: -10.738 flat angles P-C4'-P energy: -11.748 tors. eta vs tors. theta energy: -11.610 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: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -110.931436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.931436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.931436 (E_RNA) where: Base-Base interactions energy: -52.075 where: short stacking energy: -49.904 Base-Backbone interact. energy: -0.450 local terms energy: -58.407026 where: bonds (distance) C4'-P energy: -17.176 bonds (distance) P-C4' energy: -16.778 flat angles C4'-P-C4' energy: -12.217 flat angles P-C4'-P energy: -7.374 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: 9 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -193.960794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.960794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.960794 (E_RNA) where: Base-Base interactions energy: -103.600 where: short stacking energy: -103.600 Base-Backbone interact. energy: -0.216 local terms energy: -90.144970 where: bonds (distance) C4'-P energy: -19.458 bonds (distance) P-C4' energy: -16.368 flat angles C4'-P-C4' energy: -19.134 flat angles P-C4'-P energy: -13.414 tors. eta vs tors. theta energy: -21.771 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: 1 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -189.511255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.511255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.511255 (E_RNA) where: Base-Base interactions energy: -102.489 where: short stacking energy: -102.489 Base-Backbone interact. energy: 1.792 local terms energy: -88.814208 where: bonds (distance) C4'-P energy: -19.243 bonds (distance) P-C4' energy: -15.354 flat angles C4'-P-C4' energy: -20.124 flat angles P-C4'-P energy: -11.664 tors. eta vs tors. theta energy: -22.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -186.919413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.919413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.919413 (E_RNA) where: Base-Base interactions energy: -90.991 where: short stacking energy: -90.991 Base-Backbone interact. energy: -0.743 local terms energy: -95.185207 where: bonds (distance) C4'-P energy: -19.775 bonds (distance) P-C4' energy: -21.148 flat angles C4'-P-C4' energy: -22.536 flat angles P-C4'-P energy: -13.767 tors. eta vs tors. theta energy: -17.959 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: 6 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -192.128522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.128522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.128522 (E_RNA) where: Base-Base interactions energy: -107.380 where: short stacking energy: -107.380 Base-Backbone interact. energy: -0.094 local terms energy: -84.654460 where: bonds (distance) C4'-P energy: -14.892 bonds (distance) P-C4' energy: -19.446 flat angles C4'-P-C4' energy: -19.494 flat angles P-C4'-P energy: -10.294 tors. eta vs tors. theta energy: -20.528 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: 5, replica: 8 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -160.148823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.148823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.148823 (E_RNA) where: Base-Base interactions energy: -83.153 where: short stacking energy: -83.153 Base-Backbone interact. energy: 0.413 local terms energy: -77.408931 where: bonds (distance) C4'-P energy: -10.307 bonds (distance) P-C4' energy: -17.979 flat angles C4'-P-C4' energy: -16.377 flat angles P-C4'-P energy: -12.062 tors. eta vs tors. theta energy: -20.684 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: 6, replica: 4 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -144.266108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.266108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.266108 (E_RNA) where: Base-Base interactions energy: -68.423 where: short stacking energy: -68.423 Base-Backbone interact. energy: -0.061 local terms energy: -75.782408 where: bonds (distance) C4'-P energy: -17.671 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -19.366 flat angles P-C4'-P energy: -11.820 tors. eta vs tors. theta energy: -9.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -142.381148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.381148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.381148 (E_RNA) where: Base-Base interactions energy: -71.242 where: short stacking energy: -70.827 Base-Backbone interact. energy: 0.344 local terms energy: -71.482854 where: bonds (distance) C4'-P energy: -17.325 bonds (distance) P-C4' energy: -17.596 flat angles C4'-P-C4' energy: -13.175 flat angles P-C4'-P energy: -13.078 tors. eta vs tors. theta energy: -10.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -143.682530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.682530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.682530 (E_RNA) where: Base-Base interactions energy: -71.298 where: short stacking energy: -65.775 Base-Backbone interact. energy: -0.459 local terms energy: -71.925266 where: bonds (distance) C4'-P energy: -18.520 bonds (distance) P-C4' energy: -15.253 flat angles C4'-P-C4' energy: -17.971 flat angles P-C4'-P energy: -8.840 tors. eta vs tors. theta energy: -11.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -122.267578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.267578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.267578 (E_RNA) where: Base-Base interactions energy: -54.208 where: short stacking energy: -52.954 Base-Backbone interact. energy: -0.182 local terms energy: -67.877548 where: bonds (distance) C4'-P energy: -13.802 bonds (distance) P-C4' energy: -17.728 flat angles C4'-P-C4' energy: -15.040 flat angles P-C4'-P energy: -11.571 tors. eta vs tors. theta energy: -9.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -122.407763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.407763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.407763 (E_RNA) where: Base-Base interactions energy: -47.124 where: short stacking energy: -47.124 Base-Backbone interact. energy: 0.053 local terms energy: -75.336494 where: bonds (distance) C4'-P energy: -17.561 bonds (distance) P-C4' energy: -16.994 flat angles C4'-P-C4' energy: -17.317 flat angles P-C4'-P energy: -14.101 tors. eta vs tors. theta energy: -9.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -208.060779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.060779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.060779 (E_RNA) where: Base-Base interactions energy: -107.366 where: short stacking energy: -107.366 Base-Backbone interact. energy: -0.010 local terms energy: -100.684359 where: bonds (distance) C4'-P energy: -17.533 bonds (distance) P-C4' energy: -18.102 flat angles C4'-P-C4' energy: -22.558 flat angles P-C4'-P energy: -14.049 tors. eta vs tors. theta energy: -28.443 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: 195 Temperature: 0.950000 Total energy: -195.008515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.008515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.008515 (E_RNA) where: Base-Base interactions energy: -107.248 where: short stacking energy: -106.866 Base-Backbone interact. energy: -0.592 local terms energy: -87.168912 where: bonds (distance) C4'-P energy: -16.034 bonds (distance) P-C4' energy: -18.471 flat angles C4'-P-C4' energy: -19.974 flat angles P-C4'-P energy: -12.349 tors. eta vs tors. theta energy: -20.340 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: 195 Temperature: 1.000000 Total energy: -185.703098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.703098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.703098 (E_RNA) where: Base-Base interactions energy: -93.530 where: short stacking energy: -93.530 Base-Backbone interact. energy: -0.009 local terms energy: -92.164308 where: bonds (distance) C4'-P energy: -18.179 bonds (distance) P-C4' energy: -21.624 flat angles C4'-P-C4' energy: -19.598 flat angles P-C4'-P energy: -13.046 tors. eta vs tors. theta energy: -19.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -195.574788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.574788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.574788 (E_RNA) where: Base-Base interactions energy: -106.019 where: short stacking energy: -106.019 Base-Backbone interact. energy: -0.004 local terms energy: -89.551671 where: bonds (distance) C4'-P energy: -20.448 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -19.124 flat angles P-C4'-P energy: -11.627 tors. eta vs tors. theta energy: -22.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -196.278816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.278816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.278816 (E_RNA) where: Base-Base interactions energy: -110.570 where: short stacking energy: -110.570 Base-Backbone interact. energy: -0.001 local terms energy: -85.707558 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -19.519 flat angles C4'-P-C4' energy: -14.526 flat angles P-C4'-P energy: -11.390 tors. eta vs tors. theta energy: -26.776 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: 6, replica: 2 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -157.056883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.056883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.056883 (E_RNA) where: Base-Base interactions energy: -80.215 where: short stacking energy: -80.215 Base-Backbone interact. energy: -0.154 local terms energy: -76.687123 where: bonds (distance) C4'-P energy: -14.819 bonds (distance) P-C4' energy: -19.608 flat angles C4'-P-C4' energy: -16.828 flat angles P-C4'-P energy: -11.427 tors. eta vs tors. theta energy: -14.006 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: 4 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -147.253200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.253200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.253200 (E_RNA) where: Base-Base interactions energy: -88.019 where: short stacking energy: -88.019 Base-Backbone interact. energy: -0.051 local terms energy: -59.183189 where: bonds (distance) C4'-P energy: 0.295 bonds (distance) P-C4' energy: -16.890 flat angles C4'-P-C4' energy: -14.856 flat angles P-C4'-P energy: -10.021 tors. eta vs tors. theta energy: -17.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -127.739558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.739558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.739558 (E_RNA) where: Base-Base interactions energy: -57.775 where: short stacking energy: -57.775 Base-Backbone interact. energy: -0.288 local terms energy: -69.676855 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -16.615 flat angles C4'-P-C4' energy: -18.283 flat angles P-C4'-P energy: -11.619 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: 9, replica: 10 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -129.697573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.697573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.697573 (E_RNA) where: Base-Base interactions energy: -53.437 where: short stacking energy: -53.437 Base-Backbone interact. energy: -0.159 local terms energy: -76.101731 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -17.676 flat angles C4'-P-C4' energy: -18.508 flat angles P-C4'-P energy: -16.309 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: 10, replica: 5 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -131.442803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.442803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.442803 (E_RNA) where: Base-Base interactions energy: -69.968 where: short stacking energy: -69.968 Base-Backbone interact. energy: -0.109 local terms energy: -61.366395 where: bonds (distance) C4'-P energy: -14.883 bonds (distance) P-C4' energy: -12.124 flat angles C4'-P-C4' energy: -9.852 flat angles P-C4'-P energy: -13.989 tors. eta vs tors. theta energy: -10.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -209.241106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.241106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.241106 (E_RNA) where: Base-Base interactions energy: -112.395 where: short stacking energy: -112.395 Base-Backbone interact. energy: -0.036 local terms energy: -96.809788 where: bonds (distance) C4'-P energy: -17.255 bonds (distance) P-C4' energy: -18.793 flat angles C4'-P-C4' energy: -22.418 flat angles P-C4'-P energy: -14.920 tors. eta vs tors. theta energy: -23.423 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: 1 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -200.009562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.009562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.009562 (E_RNA) where: Base-Base interactions energy: -100.353 where: short stacking energy: -100.353 Base-Backbone interact. energy: -0.033 local terms energy: -99.623474 where: bonds (distance) C4'-P energy: -20.202 bonds (distance) P-C4' energy: -21.886 flat angles C4'-P-C4' energy: -22.825 flat angles P-C4'-P energy: -10.922 tors. eta vs tors. theta energy: -23.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -186.072153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.072153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.072153 (E_RNA) where: Base-Base interactions energy: -94.513 where: short stacking energy: -94.389 Base-Backbone interact. energy: -0.203 local terms energy: -91.356288 where: bonds (distance) C4'-P energy: -19.582 bonds (distance) P-C4' energy: -21.955 flat angles C4'-P-C4' energy: -18.545 flat angles P-C4'-P energy: -11.066 tors. eta vs tors. theta energy: -20.209 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: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -177.097545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.097545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.097545 (E_RNA) where: Base-Base interactions energy: -93.970 where: short stacking energy: -93.970 Base-Backbone interact. energy: -0.011 local terms energy: -83.116958 where: bonds (distance) C4'-P energy: -18.328 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -18.758 flat angles P-C4'-P energy: -9.965 tors. eta vs tors. theta energy: -20.871 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: 196 Temperature: 1.100000 Total energy: -177.482269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.482269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.482269 (E_RNA) where: Base-Base interactions energy: -95.727 where: short stacking energy: -95.727 Base-Backbone interact. energy: -0.001 local terms energy: -81.754812 where: bonds (distance) C4'-P energy: -14.730 bonds (distance) P-C4' energy: -16.362 flat angles C4'-P-C4' energy: -18.540 flat angles P-C4'-P energy: -12.473 tors. eta vs tors. theta energy: -19.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -156.756997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.756997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.756997 (E_RNA) where: Base-Base interactions energy: -80.693 where: short stacking energy: -80.175 Base-Backbone interact. energy: -0.392 local terms energy: -75.672078 where: bonds (distance) C4'-P energy: -12.622 bonds (distance) P-C4' energy: -20.415 flat angles C4'-P-C4' energy: -14.073 flat angles P-C4'-P energy: -14.432 tors. eta vs tors. theta energy: -14.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -128.960361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.960361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.960361 (E_RNA) where: Base-Base interactions energy: -64.860 where: short stacking energy: -63.436 Base-Backbone interact. energy: -0.789 local terms energy: -63.311311 where: bonds (distance) C4'-P energy: -17.020 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -11.313 flat angles P-C4'-P energy: -12.135 tors. eta vs tors. theta energy: -9.129 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: 4 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -138.789105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.789105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.789105 (E_RNA) where: Base-Base interactions energy: -71.897 where: short stacking energy: -71.897 Base-Backbone interact. energy: -0.112 local terms energy: -66.780363 where: bonds (distance) C4'-P energy: -11.219 bonds (distance) P-C4' energy: -16.115 flat angles C4'-P-C4' energy: -14.920 flat angles P-C4'-P energy: -11.382 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: 9, replica: 5 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -117.536893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.536893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.536893 (E_RNA) where: Base-Base interactions energy: -51.246 where: short stacking energy: -51.246 Base-Backbone interact. energy: -0.690 local terms energy: -65.600853 where: bonds (distance) C4'-P energy: -10.568 bonds (distance) P-C4' energy: -22.423 flat angles C4'-P-C4' energy: -12.186 flat angles P-C4'-P energy: -10.794 tors. eta vs tors. theta energy: -9.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -124.513030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.513030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.513030 (E_RNA) where: Base-Base interactions energy: -56.270 where: short stacking energy: -56.065 Base-Backbone interact. energy: -0.181 local terms energy: -68.061767 where: bonds (distance) C4'-P energy: -10.995 bonds (distance) P-C4' energy: -16.867 flat angles C4'-P-C4' energy: -18.137 flat angles P-C4'-P energy: -11.471 tors. eta vs tors. theta energy: -10.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -223.809754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.809754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.809754 (E_RNA) where: Base-Base interactions energy: -123.198 where: short stacking energy: -123.198 Base-Backbone interact. energy: -0.006 local terms energy: -100.605986 where: bonds (distance) C4'-P energy: -18.409 bonds (distance) P-C4' energy: -17.905 flat angles C4'-P-C4' energy: -21.542 flat angles P-C4'-P energy: -16.481 tors. eta vs tors. theta energy: -26.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -206.653798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.653798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.653798 (E_RNA) where: Base-Base interactions energy: -109.934 where: short stacking energy: -109.934 Base-Backbone interact. energy: -0.000 local terms energy: -96.719040 where: bonds (distance) C4'-P energy: -19.440 bonds (distance) P-C4' energy: -19.741 flat angles C4'-P-C4' energy: -17.885 flat angles P-C4'-P energy: -13.002 tors. eta vs tors. theta energy: -26.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -171.526455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.526455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.526455 (E_RNA) where: Base-Base interactions energy: -84.072 where: short stacking energy: -82.374 Base-Backbone interact. energy: -0.132 local terms energy: -87.322079 where: bonds (distance) C4'-P energy: -18.444 bonds (distance) P-C4' energy: -19.834 flat angles C4'-P-C4' energy: -18.971 flat angles P-C4'-P energy: -10.897 tors. eta vs tors. theta energy: -19.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -175.291586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.291586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.291586 (E_RNA) where: Base-Base interactions energy: -87.746 where: short stacking energy: -87.746 Base-Backbone interact. energy: -0.026 local terms energy: -87.519615 where: bonds (distance) C4'-P energy: -16.474 bonds (distance) P-C4' energy: -16.475 flat angles C4'-P-C4' energy: -20.143 flat angles P-C4'-P energy: -15.468 tors. eta vs tors. theta energy: -18.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -169.513083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.513083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.513083 (E_RNA) where: Base-Base interactions energy: -87.408 where: short stacking energy: -87.408 Base-Backbone interact. energy: -0.110 local terms energy: -81.995025 where: bonds (distance) C4'-P energy: -15.876 bonds (distance) P-C4' energy: -17.597 flat angles C4'-P-C4' energy: -19.763 flat angles P-C4'-P energy: -11.900 tors. eta vs tors. theta energy: -16.861 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: 6, replica: 2 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -141.974579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.974579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.974579 (E_RNA) where: Base-Base interactions energy: -67.633 where: short stacking energy: -67.633 Base-Backbone interact. energy: -0.022 local terms energy: -74.319259 where: bonds (distance) C4'-P energy: -15.536 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -21.823 flat angles P-C4'-P energy: -9.975 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: 7, replica: 7 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -135.650155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.650155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.650155 (E_RNA) where: Base-Base interactions energy: -76.201 where: short stacking energy: -76.201 Base-Backbone interact. energy: -0.003 local terms energy: -59.446037 where: bonds (distance) C4'-P energy: -8.499 bonds (distance) P-C4' energy: -15.031 flat angles C4'-P-C4' energy: -16.922 flat angles P-C4'-P energy: -6.399 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: 8, replica: 5 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -135.337153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.337153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.337153 (E_RNA) where: Base-Base interactions energy: -68.730 where: short stacking energy: -68.730 Base-Backbone interact. energy: 2.389 local terms energy: -68.996731 where: bonds (distance) C4'-P energy: -15.724 bonds (distance) P-C4' energy: -15.976 flat angles C4'-P-C4' energy: -15.501 flat angles P-C4'-P energy: -11.290 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: 9, replica: 4 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -116.054778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.054778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.054778 (E_RNA) where: Base-Base interactions energy: -50.750 where: short stacking energy: -50.750 Base-Backbone interact. energy: 1.728 local terms energy: -67.032558 where: bonds (distance) C4'-P energy: -17.123 bonds (distance) P-C4' energy: -15.341 flat angles C4'-P-C4' energy: -15.154 flat angles P-C4'-P energy: -14.825 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -128.115468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.115468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.115468 (E_RNA) where: Base-Base interactions energy: -63.751 where: short stacking energy: -63.751 Base-Backbone interact. energy: -0.236 local terms energy: -64.128038 where: bonds (distance) C4'-P energy: -15.951 bonds (distance) P-C4' energy: -17.309 flat angles C4'-P-C4' energy: -15.060 flat angles P-C4'-P energy: -3.976 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: 1, replica: 9 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -201.711180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.711180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.711180 (E_RNA) where: Base-Base interactions energy: -109.328 where: short stacking energy: -109.328 Base-Backbone interact. energy: -0.001 local terms energy: -92.382192 where: bonds (distance) C4'-P energy: -20.319 bonds (distance) P-C4' energy: -20.415 flat angles C4'-P-C4' energy: -18.856 flat angles P-C4'-P energy: -11.377 tors. eta vs tors. theta energy: -21.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -200.735934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.735934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.735934 (E_RNA) where: Base-Base interactions energy: -108.707 where: short stacking energy: -108.707 Base-Backbone interact. energy: -0.017 local terms energy: -92.011901 where: bonds (distance) C4'-P energy: -17.938 bonds (distance) P-C4' energy: -18.518 flat angles C4'-P-C4' energy: -21.013 flat angles P-C4'-P energy: -12.147 tors. eta vs tors. theta energy: -22.396 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: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -179.596943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.596943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.596943 (E_RNA) where: Base-Base interactions energy: -99.072 where: short stacking energy: -93.585 Base-Backbone interact. energy: -0.193 local terms energy: -80.332090 where: bonds (distance) C4'-P energy: -19.612 bonds (distance) P-C4' energy: -17.247 flat angles C4'-P-C4' energy: -19.241 flat angles P-C4'-P energy: -9.045 tors. eta vs tors. theta energy: -15.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -168.355384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.355384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.355384 (E_RNA) where: Base-Base interactions energy: -89.054 where: short stacking energy: -89.054 Base-Backbone interact. energy: 0.378 local terms energy: -79.679883 where: bonds (distance) C4'-P energy: -11.360 bonds (distance) P-C4' energy: -18.647 flat angles C4'-P-C4' energy: -21.568 flat angles P-C4'-P energy: -11.172 tors. eta vs tors. theta energy: -16.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -166.621749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.621749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.621749 (E_RNA) where: Base-Base interactions energy: -86.839 where: short stacking energy: -86.839 Base-Backbone interact. energy: -0.022 local terms energy: -79.761031 where: bonds (distance) C4'-P energy: -19.254 bonds (distance) P-C4' energy: -18.657 flat angles C4'-P-C4' energy: -11.641 flat angles P-C4'-P energy: -13.182 tors. eta vs tors. theta energy: -17.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -147.110789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.110789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.110789 (E_RNA) where: Base-Base interactions energy: -70.185 where: short stacking energy: -70.185 Base-Backbone interact. energy: 0.257 local terms energy: -77.183122 where: bonds (distance) C4'-P energy: -18.392 bonds (distance) P-C4' energy: -18.969 flat angles C4'-P-C4' energy: -15.048 flat angles P-C4'-P energy: -14.250 tors. eta vs tors. theta energy: -10.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -147.886337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.886337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.886337 (E_RNA) where: Base-Base interactions energy: -78.536 where: short stacking energy: -78.536 Base-Backbone interact. energy: -0.030 local terms energy: -69.320560 where: bonds (distance) C4'-P energy: -12.788 bonds (distance) P-C4' energy: -15.812 flat angles C4'-P-C4' energy: -12.994 flat angles P-C4'-P energy: -12.340 tors. eta vs tors. theta energy: -15.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -133.609600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.609600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.609600 (E_RNA) where: Base-Base interactions energy: -63.343 where: short stacking energy: -63.343 Base-Backbone interact. energy: -0.139 local terms energy: -70.128085 where: bonds (distance) C4'-P energy: -12.716 bonds (distance) P-C4' energy: -18.919 flat angles C4'-P-C4' energy: -16.717 flat angles P-C4'-P energy: -9.029 tors. eta vs tors. theta energy: -12.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -109.584719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.584719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.584719 (E_RNA) where: Base-Base interactions energy: -50.662 where: short stacking energy: -47.748 Base-Backbone interact. energy: 0.029 local terms energy: -58.951030 where: bonds (distance) C4'-P energy: -13.802 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -12.524 flat angles P-C4'-P energy: -10.114 tors. eta vs tors. theta energy: -8.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -104.825811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.825811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.825811 (E_RNA) where: Base-Base interactions energy: -40.225 where: short stacking energy: -39.926 Base-Backbone interact. energy: -0.796 local terms energy: -63.804992 where: bonds (distance) C4'-P energy: -16.113 bonds (distance) P-C4' energy: -18.111 flat angles C4'-P-C4' energy: -16.214 flat angles P-C4'-P energy: -9.280 tors. eta vs tors. theta energy: -4.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -210.125984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.125984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.125984 (E_RNA) where: Base-Base interactions energy: -113.107 where: short stacking energy: -113.107 Base-Backbone interact. energy: -0.026 local terms energy: -96.992883 where: bonds (distance) C4'-P energy: -20.050 bonds (distance) P-C4' energy: -20.246 flat angles C4'-P-C4' energy: -21.161 flat angles P-C4'-P energy: -11.880 tors. eta vs tors. theta energy: -23.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -200.484380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.484380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.484380 (E_RNA) where: Base-Base interactions energy: -105.662 where: short stacking energy: -105.662 Base-Backbone interact. energy: -0.041 local terms energy: -94.781870 where: bonds (distance) C4'-P energy: -20.009 bonds (distance) P-C4' energy: -19.351 flat angles C4'-P-C4' energy: -19.464 flat angles P-C4'-P energy: -13.586 tors. eta vs tors. theta energy: -22.372 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: 3, replica: 8 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -164.300085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.300085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.300085 (E_RNA) where: Base-Base interactions energy: -89.467 where: short stacking energy: -89.467 Base-Backbone interact. energy: -0.057 local terms energy: -74.775993 where: bonds (distance) C4'-P energy: -15.575 bonds (distance) P-C4' energy: -13.964 flat angles C4'-P-C4' energy: -16.577 flat angles P-C4'-P energy: -14.718 tors. eta vs tors. theta energy: -13.942 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: 2 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -176.113744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.113744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.113744 (E_RNA) where: Base-Base interactions energy: -93.945 where: short stacking energy: -93.945 Base-Backbone interact. energy: -0.140 local terms energy: -82.027900 where: bonds (distance) C4'-P energy: -18.596 bonds (distance) P-C4' energy: -18.093 flat angles C4'-P-C4' energy: -17.709 flat angles P-C4'-P energy: -10.295 tors. eta vs tors. theta energy: -17.335 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: 3 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -158.701321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.701321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.701321 (E_RNA) where: Base-Base interactions energy: -85.181 where: short stacking energy: -85.181 Base-Backbone interact. energy: -0.143 local terms energy: -73.377621 where: bonds (distance) C4'-P energy: -11.293 bonds (distance) P-C4' energy: -19.653 flat angles C4'-P-C4' energy: -18.711 flat angles P-C4'-P energy: -8.905 tors. eta vs tors. theta energy: -14.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -146.511440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.511440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.511440 (E_RNA) where: Base-Base interactions energy: -73.111 where: short stacking energy: -72.851 Base-Backbone interact. energy: -0.027 local terms energy: -73.374232 where: bonds (distance) C4'-P energy: -15.073 bonds (distance) P-C4' energy: -20.185 flat angles C4'-P-C4' energy: -14.420 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -13.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -161.518633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.518633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.518633 (E_RNA) where: Base-Base interactions energy: -81.926 where: short stacking energy: -81.926 Base-Backbone interact. energy: -0.030 local terms energy: -79.561963 where: bonds (distance) C4'-P energy: -19.121 bonds (distance) P-C4' energy: -21.601 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -5.824 tors. eta vs tors. theta energy: -19.201 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: 7 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -133.244867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.244867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.244867 (E_RNA) where: Base-Base interactions energy: -63.434 where: short stacking energy: -63.434 Base-Backbone interact. energy: -0.215 local terms energy: -69.596133 where: bonds (distance) C4'-P energy: -15.182 bonds (distance) P-C4' energy: -17.604 flat angles C4'-P-C4' energy: -16.730 flat angles P-C4'-P energy: -13.188 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: 9, replica: 10 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -115.220031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.220031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.220031 (E_RNA) where: Base-Base interactions energy: -50.092 where: short stacking energy: -48.519 Base-Backbone interact. energy: -0.190 local terms energy: -64.937703 where: bonds (distance) C4'-P energy: -13.437 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -19.027 flat angles P-C4'-P energy: -9.955 tors. eta vs tors. theta energy: -8.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -131.657264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.657264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.657264 (E_RNA) where: Base-Base interactions energy: -67.769 where: short stacking energy: -67.769 Base-Backbone interact. energy: -0.222 local terms energy: -63.666389 where: bonds (distance) C4'-P energy: -8.897 bonds (distance) P-C4' energy: -15.774 flat angles C4'-P-C4' energy: -15.842 flat angles P-C4'-P energy: -9.212 tors. eta vs tors. theta energy: -13.942 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: 9 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -212.894898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.894898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.894898 (E_RNA) where: Base-Base interactions energy: -111.446 where: short stacking energy: -111.446 Base-Backbone interact. energy: -0.011 local terms energy: -101.437251 where: bonds (distance) C4'-P energy: -20.602 bonds (distance) P-C4' energy: -19.685 flat angles C4'-P-C4' energy: -21.994 flat angles P-C4'-P energy: -15.726 tors. eta vs tors. theta energy: -23.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -194.950678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.950678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.950678 (E_RNA) where: Base-Base interactions energy: -105.579 where: short stacking energy: -105.579 Base-Backbone interact. energy: -0.268 local terms energy: -89.103901 where: bonds (distance) C4'-P energy: -17.166 bonds (distance) P-C4' energy: -19.059 flat angles C4'-P-C4' energy: -21.074 flat angles P-C4'-P energy: -12.872 tors. eta vs tors. theta energy: -18.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -186.498653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.498653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.498653 (E_RNA) where: Base-Base interactions energy: -106.137 where: short stacking energy: -106.137 Base-Backbone interact. energy: -0.103 local terms energy: -80.258520 where: bonds (distance) C4'-P energy: -12.973 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -17.797 flat angles P-C4'-P energy: -12.129 tors. eta vs tors. theta energy: -24.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -181.332017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.332017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.332017 (E_RNA) where: Base-Base interactions energy: -102.653 where: short stacking energy: -102.653 Base-Backbone interact. energy: -0.013 local terms energy: -78.665962 where: bonds (distance) C4'-P energy: -15.567 bonds (distance) P-C4' energy: -16.688 flat angles C4'-P-C4' energy: -12.133 flat angles P-C4'-P energy: -13.062 tors. eta vs tors. theta energy: -21.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -167.450046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.450046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.450046 (E_RNA) where: Base-Base interactions energy: -80.927 where: short stacking energy: -80.417 Base-Backbone interact. energy: -0.532 local terms energy: -85.991448 where: bonds (distance) C4'-P energy: -19.920 bonds (distance) P-C4' energy: -17.602 flat angles C4'-P-C4' energy: -13.245 flat angles P-C4'-P energy: -12.002 tors. eta vs tors. theta energy: -23.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -158.873760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.873760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.873760 (E_RNA) where: Base-Base interactions energy: -86.644 where: short stacking energy: -87.395 Base-Backbone interact. energy: -0.119 local terms energy: -72.111165 where: bonds (distance) C4'-P energy: -12.089 bonds (distance) P-C4' energy: -16.219 flat angles C4'-P-C4' energy: -17.027 flat angles P-C4'-P energy: -7.970 tors. eta vs tors. theta energy: -18.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -163.976865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.976865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.976865 (E_RNA) where: Base-Base interactions energy: -84.561 where: short stacking energy: -84.561 Base-Backbone interact. energy: 0.940 local terms energy: -80.356283 where: bonds (distance) C4'-P energy: -15.194 bonds (distance) P-C4' energy: -16.534 flat angles C4'-P-C4' energy: -17.855 flat angles P-C4'-P energy: -16.334 tors. eta vs tors. theta energy: -14.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -135.987778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.987778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.987778 (E_RNA) where: Base-Base interactions energy: -65.123 where: short stacking energy: -65.123 Base-Backbone interact. energy: -0.182 local terms energy: -70.683038 where: bonds (distance) C4'-P energy: -17.374 bonds (distance) P-C4' energy: -11.008 flat angles C4'-P-C4' energy: -18.390 flat angles P-C4'-P energy: -11.855 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: 9, replica: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -118.151619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.151619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.151619 (E_RNA) where: Base-Base interactions energy: -57.527 where: short stacking energy: -56.264 Base-Backbone interact. energy: -0.551 local terms energy: -60.073185 where: bonds (distance) C4'-P energy: -13.794 bonds (distance) P-C4' energy: -15.628 flat angles C4'-P-C4' energy: -15.619 flat angles P-C4'-P energy: -10.357 tors. eta vs tors. theta energy: -4.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -111.388966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.388966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.388966 (E_RNA) where: Base-Base interactions energy: -46.877 where: short stacking energy: -46.964 Base-Backbone interact. energy: -0.196 local terms energy: -64.316123 where: bonds (distance) C4'-P energy: -16.200 bonds (distance) P-C4' energy: -15.725 flat angles C4'-P-C4' energy: -15.683 flat angles P-C4'-P energy: -10.214 tors. eta vs tors. theta energy: -6.494 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: 9 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -219.643118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.643118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.643118 (E_RNA) where: Base-Base interactions energy: -117.043 where: short stacking energy: -117.043 Base-Backbone interact. energy: -0.000 local terms energy: -102.600461 where: bonds (distance) C4'-P energy: -17.938 bonds (distance) P-C4' energy: -19.461 flat angles C4'-P-C4' energy: -20.893 flat angles P-C4'-P energy: -15.366 tors. eta vs tors. theta energy: -28.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -186.725922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.725922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.725922 (E_RNA) where: Base-Base interactions energy: -102.620 where: short stacking energy: -102.246 Base-Backbone interact. energy: -0.000 local terms energy: -84.105509 where: bonds (distance) C4'-P energy: -15.874 bonds (distance) P-C4' energy: -14.801 flat angles C4'-P-C4' energy: -19.677 flat angles P-C4'-P energy: -11.683 tors. eta vs tors. theta energy: -22.071 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: 1 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -195.357374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.357374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.357374 (E_RNA) where: Base-Base interactions energy: -113.335 where: short stacking energy: -113.335 Base-Backbone interact. energy: -0.015 local terms energy: -82.007808 where: bonds (distance) C4'-P energy: -16.248 bonds (distance) P-C4' energy: -13.072 flat angles C4'-P-C4' energy: -16.852 flat angles P-C4'-P energy: -10.462 tors. eta vs tors. theta energy: -25.375 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: 5 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -192.531637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.531637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.531637 (E_RNA) where: Base-Base interactions energy: -101.788 where: short stacking energy: -101.788 Base-Backbone interact. energy: -0.044 local terms energy: -90.699351 where: bonds (distance) C4'-P energy: -19.528 bonds (distance) P-C4' energy: -14.830 flat angles C4'-P-C4' energy: -20.892 flat angles P-C4'-P energy: -14.557 tors. eta vs tors. theta energy: -20.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -154.964676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.964676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.964676 (E_RNA) where: Base-Base interactions energy: -83.407 where: short stacking energy: -83.407 Base-Backbone interact. energy: -0.278 local terms energy: -71.279512 where: bonds (distance) C4'-P energy: -18.840 bonds (distance) P-C4' energy: -14.136 flat angles C4'-P-C4' energy: -17.571 flat angles P-C4'-P energy: -7.747 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: 7 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -158.619768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.619768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.619768 (E_RNA) where: Base-Base interactions energy: -83.671 where: short stacking energy: -78.565 Base-Backbone interact. energy: 0.909 local terms energy: -75.858133 where: bonds (distance) C4'-P energy: -14.762 bonds (distance) P-C4' energy: -19.006 flat angles C4'-P-C4' energy: -14.853 flat angles P-C4'-P energy: -11.637 tors. eta vs tors. theta energy: -15.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -138.489965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.489965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.489965 (E_RNA) where: Base-Base interactions energy: -70.854 where: short stacking energy: -70.854 Base-Backbone interact. energy: -0.166 local terms energy: -67.469236 where: bonds (distance) C4'-P energy: -11.965 bonds (distance) P-C4' energy: -17.046 flat angles C4'-P-C4' energy: -17.992 flat angles P-C4'-P energy: -9.126 tors. eta vs tors. theta energy: -11.341 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: 6 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -140.857985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.857985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.857985 (E_RNA) where: Base-Base interactions energy: -69.900 where: short stacking energy: -69.326 Base-Backbone interact. energy: -0.396 local terms energy: -70.562081 where: bonds (distance) C4'-P energy: -10.828 bonds (distance) P-C4' energy: -18.338 flat angles C4'-P-C4' energy: -18.394 flat angles P-C4'-P energy: -11.389 tors. eta vs tors. theta energy: -11.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -115.406477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.406477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.406477 (E_RNA) where: Base-Base interactions energy: -59.373 where: short stacking energy: -59.373 Base-Backbone interact. energy: -0.086 local terms energy: -55.946926 where: bonds (distance) C4'-P energy: -9.219 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -15.092 flat angles P-C4'-P energy: -10.445 tors. eta vs tors. theta energy: -6.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -118.777242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.777242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.777242 (E_RNA) where: Base-Base interactions energy: -64.745 where: short stacking energy: -64.745 Base-Backbone interact. energy: -0.065 local terms energy: -53.967203 where: bonds (distance) C4'-P energy: -11.679 bonds (distance) P-C4' energy: -10.864 flat angles C4'-P-C4' energy: -17.107 flat angles P-C4'-P energy: -7.583 tors. eta vs tors. theta energy: -6.735 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: 9 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -222.375911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.375911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.375911 (E_RNA) where: Base-Base interactions energy: -124.077 where: short stacking energy: -124.077 Base-Backbone interact. energy: -0.000 local terms energy: -98.298917 where: bonds (distance) C4'-P energy: -19.697 bonds (distance) P-C4' energy: -18.987 flat angles C4'-P-C4' energy: -21.211 flat angles P-C4'-P energy: -11.048 tors. eta vs tors. theta energy: -27.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -181.716105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.716105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.716105 (E_RNA) where: Base-Base interactions energy: -96.422 where: short stacking energy: -96.422 Base-Backbone interact. energy: -0.109 local terms energy: -85.185335 where: bonds (distance) C4'-P energy: -19.471 bonds (distance) P-C4' energy: -16.113 flat angles C4'-P-C4' energy: -16.359 flat angles P-C4'-P energy: -15.086 tors. eta vs tors. theta energy: -18.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -211.839051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.839051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.839051 (E_RNA) where: Base-Base interactions energy: -109.061 where: short stacking energy: -109.061 Base-Backbone interact. energy: -0.001 local terms energy: -102.777371 where: bonds (distance) C4'-P energy: -16.982 bonds (distance) P-C4' energy: -19.510 flat angles C4'-P-C4' energy: -21.329 flat angles P-C4'-P energy: -17.071 tors. eta vs tors. theta energy: -27.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -174.049697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.049697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.049697 (E_RNA) where: Base-Base interactions energy: -84.606 where: short stacking energy: -84.606 Base-Backbone interact. energy: -0.002 local terms energy: -89.441461 where: bonds (distance) C4'-P energy: -20.728 bonds (distance) P-C4' energy: -19.287 flat angles C4'-P-C4' energy: -19.123 flat angles P-C4'-P energy: -9.339 tors. eta vs tors. theta energy: -20.964 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: 8 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -170.532419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.532419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.532419 (E_RNA) where: Base-Base interactions energy: -85.281 where: short stacking energy: -85.281 Base-Backbone interact. energy: -0.002 local terms energy: -85.248891 where: bonds (distance) C4'-P energy: -15.006 bonds (distance) P-C4' energy: -19.179 flat angles C4'-P-C4' energy: -19.757 flat angles P-C4'-P energy: -14.406 tors. eta vs tors. theta energy: -16.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -155.091623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.091623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.091623 (E_RNA) where: Base-Base interactions energy: -77.798 where: short stacking energy: -77.798 Base-Backbone interact. energy: -0.008 local terms energy: -77.285647 where: bonds (distance) C4'-P energy: -10.672 bonds (distance) P-C4' energy: -17.155 flat angles C4'-P-C4' energy: -18.212 flat angles P-C4'-P energy: -12.397 tors. eta vs tors. theta energy: -18.849 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: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -131.285600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.285600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.285600 (E_RNA) where: Base-Base interactions energy: -63.294 where: short stacking energy: -65.094 Base-Backbone interact. energy: -0.235 local terms energy: -67.756807 where: bonds (distance) C4'-P energy: -18.327 bonds (distance) P-C4' energy: -16.631 flat angles C4'-P-C4' energy: -13.259 flat angles P-C4'-P energy: -10.745 tors. eta vs tors. theta energy: -8.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -150.911067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.911067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.911067 (E_RNA) where: Base-Base interactions energy: -71.764 where: short stacking energy: -71.764 Base-Backbone interact. energy: -0.090 local terms energy: -79.057494 where: bonds (distance) C4'-P energy: -10.610 bonds (distance) P-C4' energy: -20.341 flat angles C4'-P-C4' energy: -20.164 flat angles P-C4'-P energy: -12.189 tors. eta vs tors. theta energy: -15.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -119.543631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.543631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.543631 (E_RNA) where: Base-Base interactions energy: -53.131 where: short stacking energy: -51.917 Base-Backbone interact. energy: -0.130 local terms energy: -66.282394 where: bonds (distance) C4'-P energy: -16.704 bonds (distance) P-C4' energy: -20.408 flat angles C4'-P-C4' energy: -11.451 flat angles P-C4'-P energy: -9.724 tors. eta vs tors. theta energy: -7.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -107.748360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.748360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.748360 (E_RNA) where: Base-Base interactions energy: -50.410 where: short stacking energy: -50.410 Base-Backbone interact. energy: -0.048 local terms energy: -57.289825 where: bonds (distance) C4'-P energy: -12.681 bonds (distance) P-C4' energy: -18.728 flat angles C4'-P-C4' energy: -13.283 flat angles P-C4'-P energy: -9.475 tors. eta vs tors. theta energy: -3.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -229.872361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.872361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.872361 (E_RNA) where: Base-Base interactions energy: -126.830 where: short stacking energy: -126.830 Base-Backbone interact. energy: -0.294 local terms energy: -102.748226 where: bonds (distance) C4'-P energy: -18.613 bonds (distance) P-C4' energy: -18.758 flat angles C4'-P-C4' energy: -20.555 flat angles P-C4'-P energy: -14.782 tors. eta vs tors. theta energy: -30.041 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: 1 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -213.528368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.528368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.528368 (E_RNA) where: Base-Base interactions energy: -121.377 where: short stacking energy: -121.377 Base-Backbone interact. energy: -0.006 local terms energy: -92.146252 where: bonds (distance) C4'-P energy: -14.672 bonds (distance) P-C4' energy: -18.682 flat angles C4'-P-C4' energy: -18.344 flat angles P-C4'-P energy: -15.030 tors. eta vs tors. theta energy: -25.419 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: 3, replica: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -169.646463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.646463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.646463 (E_RNA) where: Base-Base interactions energy: -82.086 where: short stacking energy: -82.086 Base-Backbone interact. energy: -0.132 local terms energy: -87.428022 where: bonds (distance) C4'-P energy: -20.591 bonds (distance) P-C4' energy: -20.895 flat angles C4'-P-C4' energy: -15.761 flat angles P-C4'-P energy: -13.245 tors. eta vs tors. theta energy: -16.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -177.657192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.657192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.657192 (E_RNA) where: Base-Base interactions energy: -90.354 where: short stacking energy: -90.354 Base-Backbone interact. energy: -0.009 local terms energy: -87.294469 where: bonds (distance) C4'-P energy: -13.234 bonds (distance) P-C4' energy: -19.583 flat angles C4'-P-C4' energy: -20.163 flat angles P-C4'-P energy: -11.790 tors. eta vs tors. theta energy: -22.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -167.286374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.286374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.286374 (E_RNA) where: Base-Base interactions energy: -90.870 where: short stacking energy: -90.870 Base-Backbone interact. energy: -0.337 local terms energy: -76.079052 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -18.306 flat angles C4'-P-C4' energy: -19.031 flat angles P-C4'-P energy: -7.291 tors. eta vs tors. theta energy: -17.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -144.197126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.197126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.197126 (E_RNA) where: Base-Base interactions energy: -77.875 where: short stacking energy: -77.875 Base-Backbone interact. energy: -0.016 local terms energy: -66.306794 where: bonds (distance) C4'-P energy: -11.165 bonds (distance) P-C4' energy: -17.036 flat angles C4'-P-C4' energy: -13.205 flat angles P-C4'-P energy: -12.585 tors. eta vs tors. theta energy: -12.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -155.692085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.692085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.692085 (E_RNA) where: Base-Base interactions energy: -76.193 where: short stacking energy: -76.193 Base-Backbone interact. energy: -0.001 local terms energy: -79.497785 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -21.958 flat angles C4'-P-C4' energy: -16.769 flat angles P-C4'-P energy: -11.114 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: 8, replica: 4 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -145.298643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.298643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.298643 (E_RNA) where: Base-Base interactions energy: -71.476 where: short stacking energy: -71.476 Base-Backbone interact. energy: 0.390 local terms energy: -74.212568 where: bonds (distance) C4'-P energy: -14.656 bonds (distance) P-C4' energy: -19.363 flat angles C4'-P-C4' energy: -17.507 flat angles P-C4'-P energy: -8.627 tors. eta vs tors. theta energy: -14.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -114.983820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.983820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.983820 (E_RNA) where: Base-Base interactions energy: -52.173 where: short stacking energy: -52.264 Base-Backbone interact. energy: 0.054 local terms energy: -62.865325 where: bonds (distance) C4'-P energy: -17.863 bonds (distance) P-C4' energy: -14.743 flat angles C4'-P-C4' energy: -12.521 flat angles P-C4'-P energy: -13.973 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: 10, replica: 10 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -111.145892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.145892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.145892 (E_RNA) where: Base-Base interactions energy: -50.161 where: short stacking energy: -50.161 Base-Backbone interact. energy: -0.098 local terms energy: -60.886367 where: bonds (distance) C4'-P energy: -17.909 bonds (distance) P-C4' energy: -15.758 flat angles C4'-P-C4' energy: -16.809 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -7.036 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: 1, replica: 1 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -220.302780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.302780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.302780 (E_RNA) where: Base-Base interactions energy: -117.904 where: short stacking energy: -117.904 Base-Backbone interact. energy: -0.002 local terms energy: -102.397064 where: bonds (distance) C4'-P energy: -21.503 bonds (distance) P-C4' energy: -20.248 flat angles C4'-P-C4' energy: -18.826 flat angles P-C4'-P energy: -15.561 tors. eta vs tors. theta energy: -26.260 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: 9 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -220.917723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.917723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.917723 (E_RNA) where: Base-Base interactions energy: -122.903 where: short stacking energy: -122.903 Base-Backbone interact. energy: -0.045 local terms energy: -97.969983 where: bonds (distance) C4'-P energy: -14.964 bonds (distance) P-C4' energy: -17.769 flat angles C4'-P-C4' energy: -21.654 flat angles P-C4'-P energy: -12.623 tors. eta vs tors. theta energy: -30.960 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: 8 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -204.142482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.142482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.142482 (E_RNA) where: Base-Base interactions energy: -106.622 where: short stacking energy: -106.622 Base-Backbone interact. energy: -0.002 local terms energy: -97.518574 where: bonds (distance) C4'-P energy: -20.484 bonds (distance) P-C4' energy: -16.846 flat angles C4'-P-C4' energy: -17.432 flat angles P-C4'-P energy: -15.566 tors. eta vs tors. theta energy: -27.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -189.770947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.770947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.770947 (E_RNA) where: Base-Base interactions energy: -101.400 where: short stacking energy: -101.400 Base-Backbone interact. energy: -0.019 local terms energy: -88.351735 where: bonds (distance) C4'-P energy: -18.986 bonds (distance) P-C4' energy: -14.132 flat angles C4'-P-C4' energy: -21.610 flat angles P-C4'-P energy: -12.062 tors. eta vs tors. theta energy: -21.561 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: 7 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -182.624776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.624776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.624776 (E_RNA) where: Base-Base interactions energy: -95.409 where: short stacking energy: -90.843 Base-Backbone interact. energy: 0.033 local terms energy: -87.249066 where: bonds (distance) C4'-P energy: -19.798 bonds (distance) P-C4' energy: -18.428 flat angles C4'-P-C4' energy: -18.740 flat angles P-C4'-P energy: -8.303 tors. eta vs tors. theta energy: -21.980 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: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -147.801959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.801959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.801959 (E_RNA) where: Base-Base interactions energy: -75.410 where: short stacking energy: -73.403 Base-Backbone interact. energy: -0.049 local terms energy: -72.342790 where: bonds (distance) C4'-P energy: -15.408 bonds (distance) P-C4' energy: -16.991 flat angles C4'-P-C4' energy: -12.486 flat angles P-C4'-P energy: -12.647 tors. eta vs tors. theta energy: -14.810 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: 7, replica: 4 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -149.038046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.038046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.038046 (E_RNA) where: Base-Base interactions energy: -71.631 where: short stacking energy: -71.515 Base-Backbone interact. energy: -0.212 local terms energy: -77.194598 where: bonds (distance) C4'-P energy: -15.818 bonds (distance) P-C4' energy: -19.629 flat angles C4'-P-C4' energy: -19.436 flat angles P-C4'-P energy: -6.190 tors. eta vs tors. theta energy: -16.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -147.504173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.504173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.504173 (E_RNA) where: Base-Base interactions energy: -74.523 where: short stacking energy: -74.523 Base-Backbone interact. energy: -0.073 local terms energy: -72.907951 where: bonds (distance) C4'-P energy: -14.594 bonds (distance) P-C4' energy: -9.142 flat angles C4'-P-C4' energy: -20.952 flat angles P-C4'-P energy: -11.214 tors. eta vs tors. theta energy: -17.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -127.181085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.181085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.181085 (E_RNA) where: Base-Base interactions energy: -56.943 where: short stacking energy: -55.156 Base-Backbone interact. energy: -0.227 local terms energy: -70.010320 where: bonds (distance) C4'-P energy: -15.035 bonds (distance) P-C4' energy: -14.453 flat angles C4'-P-C4' energy: -16.650 flat angles P-C4'-P energy: -14.274 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: 10, replica: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -116.841873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.841873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.841873 (E_RNA) where: Base-Base interactions energy: -58.496 where: short stacking energy: -58.496 Base-Backbone interact. energy: -0.996 local terms energy: -57.349960 where: bonds (distance) C4'-P energy: -11.120 bonds (distance) P-C4' energy: -10.947 flat angles C4'-P-C4' energy: -17.924 flat angles P-C4'-P energy: -9.210 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: 1, replica: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -217.230538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.230538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.230538 (E_RNA) where: Base-Base interactions energy: -117.613 where: short stacking energy: -117.613 Base-Backbone interact. energy: -0.006 local terms energy: -99.610862 where: bonds (distance) C4'-P energy: -17.678 bonds (distance) P-C4' energy: -18.856 flat angles C4'-P-C4' energy: -21.769 flat angles P-C4'-P energy: -14.648 tors. eta vs tors. theta energy: -26.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -206.714280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.714280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.714280 (E_RNA) where: Base-Base interactions energy: -108.877 where: short stacking energy: -108.877 Base-Backbone interact. energy: -0.037 local terms energy: -97.799851 where: bonds (distance) C4'-P energy: -19.280 bonds (distance) P-C4' energy: -18.152 flat angles C4'-P-C4' energy: -21.213 flat angles P-C4'-P energy: -14.730 tors. eta vs tors. theta energy: -24.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -192.405926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.405926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.405926 (E_RNA) where: Base-Base interactions energy: -100.466 where: short stacking energy: -100.304 Base-Backbone interact. energy: -0.207 local terms energy: -91.733126 where: bonds (distance) C4'-P energy: -19.445 bonds (distance) P-C4' energy: -20.194 flat angles C4'-P-C4' energy: -22.341 flat angles P-C4'-P energy: -8.132 tors. eta vs tors. theta energy: -21.621 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: 7 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -183.912472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.912472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.912472 (E_RNA) where: Base-Base interactions energy: -96.797 where: short stacking energy: -96.797 Base-Backbone interact. energy: -0.003 local terms energy: -87.112470 where: bonds (distance) C4'-P energy: -18.639 bonds (distance) P-C4' energy: -16.029 flat angles C4'-P-C4' energy: -22.663 flat angles P-C4'-P energy: -7.085 tors. eta vs tors. theta energy: -22.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -169.062722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.062722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.062722 (E_RNA) where: Base-Base interactions energy: -88.826 where: short stacking energy: -88.826 Base-Backbone interact. energy: -0.093 local terms energy: -80.143537 where: bonds (distance) C4'-P energy: -16.714 bonds (distance) P-C4' energy: -12.910 flat angles C4'-P-C4' energy: -17.982 flat angles P-C4'-P energy: -12.181 tors. eta vs tors. theta energy: -20.357 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: 4 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -144.269642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.269642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.269642 (E_RNA) where: Base-Base interactions energy: -73.537 where: short stacking energy: -73.537 Base-Backbone interact. energy: -0.180 local terms energy: -70.552991 where: bonds (distance) C4'-P energy: -14.957 bonds (distance) P-C4' energy: -18.783 flat angles C4'-P-C4' energy: -12.432 flat angles P-C4'-P energy: -11.265 tors. eta vs tors. theta energy: -13.117 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: 5 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -168.165609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.165609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.165609 (E_RNA) where: Base-Base interactions energy: -85.408 where: short stacking energy: -85.408 Base-Backbone interact. energy: -0.010 local terms energy: -82.747052 where: bonds (distance) C4'-P energy: -14.581 bonds (distance) P-C4' energy: -19.543 flat angles C4'-P-C4' energy: -18.578 flat angles P-C4'-P energy: -13.644 tors. eta vs tors. theta energy: -16.401 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: 6 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -121.502453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.502453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.502453 (E_RNA) where: Base-Base interactions energy: -56.465 where: short stacking energy: -56.465 Base-Backbone interact. energy: 0.791 local terms energy: -65.828504 where: bonds (distance) C4'-P energy: -20.430 bonds (distance) P-C4' energy: -14.922 flat angles C4'-P-C4' energy: -14.568 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: -11.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -146.923438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.923438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.923438 (E_RNA) where: Base-Base interactions energy: -78.173 where: short stacking energy: -78.173 Base-Backbone interact. energy: -0.003 local terms energy: -68.747472 where: bonds (distance) C4'-P energy: -15.400 bonds (distance) P-C4' energy: -18.943 flat angles C4'-P-C4' energy: -9.706 flat angles P-C4'-P energy: -11.060 tors. eta vs tors. theta energy: -13.639 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: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -116.686378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.686378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.686378 (E_RNA) where: Base-Base interactions energy: -52.264 where: short stacking energy: -51.150 Base-Backbone interact. energy: 0.231 local terms energy: -64.652922 where: bonds (distance) C4'-P energy: -14.868 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -14.602 flat angles P-C4'-P energy: -11.824 tors. eta vs tors. theta energy: -8.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -216.208771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.208771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.208771 (E_RNA) where: Base-Base interactions energy: -119.254 where: short stacking energy: -119.254 Base-Backbone interact. energy: -0.000 local terms energy: -96.954845 where: bonds (distance) C4'-P energy: -19.164 bonds (distance) P-C4' energy: -16.846 flat angles C4'-P-C4' energy: -20.295 flat angles P-C4'-P energy: -13.457 tors. eta vs tors. theta energy: -27.193 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: 8 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -218.778960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.778960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.778960 (E_RNA) where: Base-Base interactions energy: -120.893 where: short stacking energy: -120.893 Base-Backbone interact. energy: -0.000 local terms energy: -97.886214 where: bonds (distance) C4'-P energy: -18.355 bonds (distance) P-C4' energy: -18.830 flat angles C4'-P-C4' energy: -18.860 flat angles P-C4'-P energy: -11.361 tors. eta vs tors. theta energy: -30.480 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: 206 Temperature: 1.000000 Total energy: -189.226290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.226290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.226290 (E_RNA) where: Base-Base interactions energy: -106.025 where: short stacking energy: -106.325 Base-Backbone interact. energy: -0.002 local terms energy: -83.198917 where: bonds (distance) C4'-P energy: -16.437 bonds (distance) P-C4' energy: -13.929 flat angles C4'-P-C4' energy: -16.336 flat angles P-C4'-P energy: -10.697 tors. eta vs tors. theta energy: -25.800 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: 9 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -188.066104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.066104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.066104 (E_RNA) where: Base-Base interactions energy: -96.437 where: short stacking energy: -96.437 Base-Backbone interact. energy: -0.003 local terms energy: -91.626163 where: bonds (distance) C4'-P energy: -15.463 bonds (distance) P-C4' energy: -20.852 flat angles C4'-P-C4' energy: -19.927 flat angles P-C4'-P energy: -14.222 tors. eta vs tors. theta energy: -21.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -183.093699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.093699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.093699 (E_RNA) where: Base-Base interactions energy: -95.368 where: short stacking energy: -95.368 Base-Backbone interact. energy: -0.027 local terms energy: -87.699457 where: bonds (distance) C4'-P energy: -18.659 bonds (distance) P-C4' energy: -18.248 flat angles C4'-P-C4' energy: -16.602 flat angles P-C4'-P energy: -14.835 tors. eta vs tors. theta energy: -19.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -158.582656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.582656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.582656 (E_RNA) where: Base-Base interactions energy: -89.068 where: short stacking energy: -89.068 Base-Backbone interact. energy: -0.139 local terms energy: -69.375830 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -6.272 flat angles C4'-P-C4' energy: -22.470 flat angles P-C4'-P energy: -10.587 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: 7, replica: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -142.461481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.461481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.461481 (E_RNA) where: Base-Base interactions energy: -70.606 where: short stacking energy: -70.606 Base-Backbone interact. energy: -0.218 local terms energy: -71.637441 where: bonds (distance) C4'-P energy: -17.148 bonds (distance) P-C4' energy: -15.738 flat angles C4'-P-C4' energy: -14.227 flat angles P-C4'-P energy: -17.157 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: 8, replica: 5 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -136.496504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.496504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.496504 (E_RNA) where: Base-Base interactions energy: -70.054 where: short stacking energy: -69.065 Base-Backbone interact. energy: -0.736 local terms energy: -65.706551 where: bonds (distance) C4'-P energy: -17.056 bonds (distance) P-C4' energy: -15.549 flat angles C4'-P-C4' energy: -14.428 flat angles P-C4'-P energy: -6.253 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: 9, replica: 3 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -112.260751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.260751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.260751 (E_RNA) where: Base-Base interactions energy: -48.438 where: short stacking energy: -48.438 Base-Backbone interact. energy: -0.065 local terms energy: -63.757911 where: bonds (distance) C4'-P energy: -19.387 bonds (distance) P-C4' energy: -18.350 flat angles C4'-P-C4' energy: -13.024 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -5.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -101.462712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.462712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.462712 (E_RNA) where: Base-Base interactions energy: -51.620 where: short stacking energy: -51.620 Base-Backbone interact. energy: -0.222 local terms energy: -49.620947 where: bonds (distance) C4'-P energy: -15.128 bonds (distance) P-C4' energy: -10.599 flat angles C4'-P-C4' energy: -12.488 flat angles P-C4'-P energy: -9.545 tors. eta vs tors. theta energy: -1.861 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: 1 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -223.593906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.593906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.593906 (E_RNA) where: Base-Base interactions energy: -125.657 where: short stacking energy: -125.657 Base-Backbone interact. energy: -0.004 local terms energy: -97.932567 where: bonds (distance) C4'-P energy: -21.424 bonds (distance) P-C4' energy: -17.400 flat angles C4'-P-C4' energy: -18.777 flat angles P-C4'-P energy: -12.896 tors. eta vs tors. theta energy: -27.435 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: 8 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -221.344072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.344072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.344072 (E_RNA) where: Base-Base interactions energy: -123.182 where: short stacking energy: -123.182 Base-Backbone interact. energy: -0.000 local terms energy: -98.161743 where: bonds (distance) C4'-P energy: -17.039 bonds (distance) P-C4' energy: -18.678 flat angles C4'-P-C4' energy: -17.990 flat angles P-C4'-P energy: -14.441 tors. eta vs tors. theta energy: -30.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -199.358968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.358968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.358968 (E_RNA) where: Base-Base interactions energy: -106.015 where: short stacking energy: -106.015 Base-Backbone interact. energy: -0.000 local terms energy: -93.343820 where: bonds (distance) C4'-P energy: -18.428 bonds (distance) P-C4' energy: -20.359 flat angles C4'-P-C4' energy: -20.543 flat angles P-C4'-P energy: -8.535 tors. eta vs tors. theta energy: -25.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -160.728453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.728453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.728453 (E_RNA) where: Base-Base interactions energy: -79.789 where: short stacking energy: -79.789 Base-Backbone interact. energy: -0.144 local terms energy: -80.795270 where: bonds (distance) C4'-P energy: -19.809 bonds (distance) P-C4' energy: -14.898 flat angles C4'-P-C4' energy: -18.197 flat angles P-C4'-P energy: -12.579 tors. eta vs tors. theta energy: -15.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -162.155187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.155187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.155187 (E_RNA) where: Base-Base interactions energy: -84.970 where: short stacking energy: -84.970 Base-Backbone interact. energy: -0.038 local terms energy: -77.146677 where: bonds (distance) C4'-P energy: -19.007 bonds (distance) P-C4' energy: -14.176 flat angles C4'-P-C4' energy: -13.729 flat angles P-C4'-P energy: -10.293 tors. eta vs tors. theta energy: -19.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -150.674132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.674132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.674132 (E_RNA) where: Base-Base interactions energy: -74.048 where: short stacking energy: -73.966 Base-Backbone interact. energy: -0.011 local terms energy: -76.614921 where: bonds (distance) C4'-P energy: -18.820 bonds (distance) P-C4' energy: -20.104 flat angles C4'-P-C4' energy: -12.707 flat angles P-C4'-P energy: -11.076 tors. eta vs tors. theta energy: -13.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -140.895785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.895785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.895785 (E_RNA) where: Base-Base interactions energy: -74.384 where: short stacking energy: -74.044 Base-Backbone interact. energy: -0.002 local terms energy: -66.509410 where: bonds (distance) C4'-P energy: -14.723 bonds (distance) P-C4' energy: -11.071 flat angles C4'-P-C4' energy: -17.853 flat angles P-C4'-P energy: -7.651 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: 8, replica: 5 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -145.477227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.477227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.477227 (E_RNA) where: Base-Base interactions energy: -74.173 where: short stacking energy: -74.173 Base-Backbone interact. energy: -0.144 local terms energy: -71.160189 where: bonds (distance) C4'-P energy: -18.095 bonds (distance) P-C4' energy: -18.323 flat angles C4'-P-C4' energy: -20.120 flat angles P-C4'-P energy: -5.987 tors. eta vs tors. theta energy: -8.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -127.208906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.208906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.208906 (E_RNA) where: Base-Base interactions energy: -61.567 where: short stacking energy: -61.025 Base-Backbone interact. energy: 0.433 local terms energy: -66.074232 where: bonds (distance) C4'-P energy: -15.582 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -17.679 flat angles P-C4'-P energy: -8.791 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: 10, replica: 10 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -120.376029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.376029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.376029 (E_RNA) where: Base-Base interactions energy: -54.222 where: short stacking energy: -54.222 Base-Backbone interact. energy: -0.011 local terms energy: -66.143121 where: bonds (distance) C4'-P energy: -14.529 bonds (distance) P-C4' energy: -20.290 flat angles C4'-P-C4' energy: -11.130 flat angles P-C4'-P energy: -14.666 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: 1, replica: 8 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -229.964843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.964843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.964843 (E_RNA) where: Base-Base interactions energy: -130.130 where: short stacking energy: -130.130 Base-Backbone interact. energy: -0.061 local terms energy: -99.773469 where: bonds (distance) C4'-P energy: -20.138 bonds (distance) P-C4' energy: -17.978 flat angles C4'-P-C4' energy: -21.251 flat angles P-C4'-P energy: -11.670 tors. eta vs tors. theta energy: -28.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -217.105654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.105654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.105654 (E_RNA) where: Base-Base interactions energy: -116.131 where: short stacking energy: -116.131 Base-Backbone interact. energy: -0.002 local terms energy: -100.972835 where: bonds (distance) C4'-P energy: -18.887 bonds (distance) P-C4' energy: -19.735 flat angles C4'-P-C4' energy: -21.630 flat angles P-C4'-P energy: -12.531 tors. eta vs tors. theta energy: -28.191 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: 7 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -201.183765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.183765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.183765 (E_RNA) where: Base-Base interactions energy: -105.072 where: short stacking energy: -105.072 Base-Backbone interact. energy: -0.004 local terms energy: -96.107025 where: bonds (distance) C4'-P energy: -17.350 bonds (distance) P-C4' energy: -19.129 flat angles C4'-P-C4' energy: -20.009 flat angles P-C4'-P energy: -16.632 tors. eta vs tors. theta energy: -22.987 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: 208 Temperature: 1.050000 Total energy: -192.885903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.885903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.885903 (E_RNA) where: Base-Base interactions energy: -104.794 where: short stacking energy: -104.794 Base-Backbone interact. energy: -0.002 local terms energy: -88.090402 where: bonds (distance) C4'-P energy: -19.954 bonds (distance) P-C4' energy: -18.436 flat angles C4'-P-C4' energy: -18.357 flat angles P-C4'-P energy: -8.453 tors. eta vs tors. theta energy: -22.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -163.443941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.443941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.443941 (E_RNA) where: Base-Base interactions energy: -88.900 where: short stacking energy: -88.900 Base-Backbone interact. energy: -0.016 local terms energy: -74.528330 where: bonds (distance) C4'-P energy: -16.821 bonds (distance) P-C4' energy: -12.520 flat angles C4'-P-C4' energy: -15.555 flat angles P-C4'-P energy: -14.456 tors. eta vs tors. theta energy: -15.176 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: 6 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -151.977934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.977934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.977934 (E_RNA) where: Base-Base interactions energy: -82.801 where: short stacking energy: -82.733 Base-Backbone interact. energy: -0.198 local terms energy: -68.978499 where: bonds (distance) C4'-P energy: -12.726 bonds (distance) P-C4' energy: -16.974 flat angles C4'-P-C4' energy: -15.599 flat angles P-C4'-P energy: -8.357 tors. eta vs tors. theta energy: -15.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -133.591987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.591987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.591987 (E_RNA) where: Base-Base interactions energy: -61.828 where: short stacking energy: -61.828 Base-Backbone interact. energy: -0.266 local terms energy: -71.497832 where: bonds (distance) C4'-P energy: -18.572 bonds (distance) P-C4' energy: -19.017 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -10.001 tors. eta vs tors. theta energy: -7.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -135.297779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.297779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.297779 (E_RNA) where: Base-Base interactions energy: -67.387 where: short stacking energy: -67.387 Base-Backbone interact. energy: 0.445 local terms energy: -68.356306 where: bonds (distance) C4'-P energy: -14.545 bonds (distance) P-C4' energy: -16.728 flat angles C4'-P-C4' energy: -11.312 flat angles P-C4'-P energy: -14.206 tors. eta vs tors. theta energy: -11.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -120.156086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.156086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.156086 (E_RNA) where: Base-Base interactions energy: -63.681 where: short stacking energy: -63.681 Base-Backbone interact. energy: -0.161 local terms energy: -56.313415 where: bonds (distance) C4'-P energy: -15.781 bonds (distance) P-C4' energy: -12.968 flat angles C4'-P-C4' energy: -10.695 flat angles P-C4'-P energy: -10.910 tors. eta vs tors. theta energy: -5.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -126.009288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.009288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.009288 (E_RNA) where: Base-Base interactions energy: -59.527 where: short stacking energy: -59.527 Base-Backbone interact. energy: -0.045 local terms energy: -66.436871 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -15.313 flat angles P-C4'-P energy: -7.298 tors. eta vs tors. theta energy: -13.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -227.857486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.857486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.857486 (E_RNA) where: Base-Base interactions energy: -124.629 where: short stacking energy: -124.629 Base-Backbone interact. energy: -0.000 local terms energy: -103.228412 where: bonds (distance) C4'-P energy: -20.481 bonds (distance) P-C4' energy: -18.918 flat angles C4'-P-C4' energy: -18.898 flat angles P-C4'-P energy: -14.225 tors. eta vs tors. theta energy: -30.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -215.277225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.277225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.277225 (E_RNA) where: Base-Base interactions energy: -114.430 where: short stacking energy: -114.430 Base-Backbone interact. energy: -0.001 local terms energy: -100.846223 where: bonds (distance) C4'-P energy: -14.232 bonds (distance) P-C4' energy: -21.194 flat angles C4'-P-C4' energy: -21.747 flat angles P-C4'-P energy: -13.898 tors. eta vs tors. theta energy: -29.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -192.455895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.455895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.455895 (E_RNA) where: Base-Base interactions energy: -101.510 where: short stacking energy: -101.510 Base-Backbone interact. energy: -0.806 local terms energy: -90.139504 where: bonds (distance) C4'-P energy: -19.254 bonds (distance) P-C4' energy: -18.591 flat angles C4'-P-C4' energy: -18.140 flat angles P-C4'-P energy: -10.298 tors. eta vs tors. theta energy: -23.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -156.676307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.676307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.676307 (E_RNA) where: Base-Base interactions energy: -73.833 where: short stacking energy: -73.833 Base-Backbone interact. energy: -0.081 local terms energy: -82.761972 where: bonds (distance) C4'-P energy: -18.100 bonds (distance) P-C4' energy: -19.781 flat angles C4'-P-C4' energy: -17.370 flat angles P-C4'-P energy: -15.094 tors. eta vs tors. theta energy: -12.417 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: 5, replica: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -186.875871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.875871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.875871 (E_RNA) where: Base-Base interactions energy: -98.694 where: short stacking energy: -98.694 Base-Backbone interact. energy: -0.038 local terms energy: -88.144476 where: bonds (distance) C4'-P energy: -16.829 bonds (distance) P-C4' energy: -20.125 flat angles C4'-P-C4' energy: -21.510 flat angles P-C4'-P energy: -7.315 tors. eta vs tors. theta energy: -22.365 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: 5 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -142.230771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.230771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.230771 (E_RNA) where: Base-Base interactions energy: -74.041 where: short stacking energy: -74.441 Base-Backbone interact. energy: -0.104 local terms energy: -68.086240 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -19.523 flat angles C4'-P-C4' energy: -17.328 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -10.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -154.871281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.871281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.871281 (E_RNA) where: Base-Base interactions energy: -79.074 where: short stacking energy: -79.074 Base-Backbone interact. energy: -0.063 local terms energy: -75.734238 where: bonds (distance) C4'-P energy: -16.841 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -16.082 flat angles P-C4'-P energy: -12.510 tors. eta vs tors. theta energy: -16.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -130.770226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.770226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.770226 (E_RNA) where: Base-Base interactions energy: -79.602 where: short stacking energy: -79.602 Base-Backbone interact. energy: -0.142 local terms energy: -51.025820 where: bonds (distance) C4'-P energy: -10.387 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -17.762 flat angles P-C4'-P energy: -10.683 tors. eta vs tors. theta energy: -8.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -129.723370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.723370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.723370 (E_RNA) where: Base-Base interactions energy: -55.575 where: short stacking energy: -55.575 Base-Backbone interact. energy: -0.137 local terms energy: -74.010795 where: bonds (distance) C4'-P energy: -18.843 bonds (distance) P-C4' energy: -15.312 flat angles C4'-P-C4' energy: -18.936 flat angles P-C4'-P energy: -14.684 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: 3 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -103.467615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.467615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.467615 (E_RNA) where: Base-Base interactions energy: -45.231 where: short stacking energy: -45.231 Base-Backbone interact. energy: -1.098 local terms energy: -57.138970 where: bonds (distance) C4'-P energy: -17.761 bonds (distance) P-C4' energy: -12.385 flat angles C4'-P-C4' energy: -16.383 flat angles P-C4'-P energy: -11.361 tors. eta vs tors. theta energy: 0.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -216.164570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.164570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.164570 (E_RNA) where: Base-Base interactions energy: -115.919 where: short stacking energy: -115.919 Base-Backbone interact. energy: -0.000 local terms energy: -100.245270 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -23.153 flat angles C4'-P-C4' energy: -20.918 flat angles P-C4'-P energy: -16.688 tors. eta vs tors. theta energy: -25.638 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: 8 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -205.017712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.017712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.017712 (E_RNA) where: Base-Base interactions energy: -105.968 where: short stacking energy: -105.968 Base-Backbone interact. energy: -0.084 local terms energy: -98.965918 where: bonds (distance) C4'-P energy: -20.363 bonds (distance) P-C4' energy: -22.202 flat angles C4'-P-C4' energy: -19.151 flat angles P-C4'-P energy: -15.250 tors. eta vs tors. theta energy: -22.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -204.114539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.114539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.114539 (E_RNA) where: Base-Base interactions energy: -116.385 where: short stacking energy: -115.081 Base-Backbone interact. energy: -0.003 local terms energy: -87.726082 where: bonds (distance) C4'-P energy: -12.432 bonds (distance) P-C4' energy: -17.614 flat angles C4'-P-C4' energy: -22.354 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -25.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -176.888939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.888939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.888939 (E_RNA) where: Base-Base interactions energy: -94.036 where: short stacking energy: -94.036 Base-Backbone interact. energy: -0.141 local terms energy: -82.711949 where: bonds (distance) C4'-P energy: -9.977 bonds (distance) P-C4' energy: -22.162 flat angles C4'-P-C4' energy: -19.262 flat angles P-C4'-P energy: -11.603 tors. eta vs tors. theta energy: -19.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -180.663872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.663872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.663872 (E_RNA) where: Base-Base interactions energy: -93.958 where: short stacking energy: -93.958 Base-Backbone interact. energy: -0.035 local terms energy: -86.670432 where: bonds (distance) C4'-P energy: -15.946 bonds (distance) P-C4' energy: -16.927 flat angles C4'-P-C4' energy: -21.225 flat angles P-C4'-P energy: -12.516 tors. eta vs tors. theta energy: -20.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -146.524711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.524711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.524711 (E_RNA) where: Base-Base interactions energy: -76.886 where: short stacking energy: -76.886 Base-Backbone interact. energy: -0.207 local terms energy: -69.431916 where: bonds (distance) C4'-P energy: -16.361 bonds (distance) P-C4' energy: -10.740 flat angles C4'-P-C4' energy: -19.653 flat angles P-C4'-P energy: -9.327 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: 7, replica: 10 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -151.548187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.548187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.548187 (E_RNA) where: Base-Base interactions energy: -73.104 where: short stacking energy: -73.104 Base-Backbone interact. energy: -0.041 local terms energy: -78.402887 where: bonds (distance) C4'-P energy: -19.546 bonds (distance) P-C4' energy: -13.892 flat angles C4'-P-C4' energy: -18.850 flat angles P-C4'-P energy: -13.225 tors. eta vs tors. theta energy: -12.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -142.876940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.876940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.876940 (E_RNA) where: Base-Base interactions energy: -74.568 where: short stacking energy: -74.568 Base-Backbone interact. energy: -0.029 local terms energy: -68.280101 where: bonds (distance) C4'-P energy: -18.675 bonds (distance) P-C4' energy: -14.598 flat angles C4'-P-C4' energy: -12.267 flat angles P-C4'-P energy: -9.572 tors. eta vs tors. theta energy: -13.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -110.321036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.321036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.321036 (E_RNA) where: Base-Base interactions energy: -55.993 where: short stacking energy: -55.657 Base-Backbone interact. energy: -1.183 local terms energy: -53.145206 where: bonds (distance) C4'-P energy: -12.479 bonds (distance) P-C4' energy: -11.228 flat angles C4'-P-C4' energy: -13.341 flat angles P-C4'-P energy: -10.459 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: 10, replica: 4 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -137.629092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.629092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.629092 (E_RNA) where: Base-Base interactions energy: -66.824 where: short stacking energy: -66.824 Base-Backbone interact. energy: -0.809 local terms energy: -69.996665 where: bonds (distance) C4'-P energy: -15.186 bonds (distance) P-C4' energy: -19.244 flat angles C4'-P-C4' energy: -12.207 flat angles P-C4'-P energy: -10.324 tors. eta vs tors. theta energy: -13.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -226.566211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.566211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.566211 (E_RNA) where: Base-Base interactions energy: -127.316 where: short stacking energy: -127.316 Base-Backbone interact. energy: -0.000 local terms energy: -99.249600 where: bonds (distance) C4'-P energy: -20.691 bonds (distance) P-C4' energy: -18.364 flat angles C4'-P-C4' energy: -18.870 flat angles P-C4'-P energy: -13.293 tors. eta vs tors. theta energy: -28.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -216.743262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.743262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.743262 (E_RNA) where: Base-Base interactions energy: -112.405 where: short stacking energy: -112.405 Base-Backbone interact. energy: -0.000 local terms energy: -104.338165 where: bonds (distance) C4'-P energy: -17.450 bonds (distance) P-C4' energy: -21.801 flat angles C4'-P-C4' energy: -21.232 flat angles P-C4'-P energy: -13.385 tors. eta vs tors. theta energy: -30.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -208.216398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.216398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.216398 (E_RNA) where: Base-Base interactions energy: -115.290 where: short stacking energy: -115.290 Base-Backbone interact. energy: -0.003 local terms energy: -92.922845 where: bonds (distance) C4'-P energy: -16.589 bonds (distance) P-C4' energy: -20.147 flat angles C4'-P-C4' energy: -18.579 flat angles P-C4'-P energy: -10.469 tors. eta vs tors. theta energy: -27.139 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: 9 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -165.377944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.377944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.377944 (E_RNA) where: Base-Base interactions energy: -86.584 where: short stacking energy: -86.234 Base-Backbone interact. energy: -0.057 local terms energy: -78.736292 where: bonds (distance) C4'-P energy: -14.759 bonds (distance) P-C4' energy: -14.923 flat angles C4'-P-C4' energy: -20.901 flat angles P-C4'-P energy: -11.870 tors. eta vs tors. theta energy: -16.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -184.373199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.373199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.373199 (E_RNA) where: Base-Base interactions energy: -97.288 where: short stacking energy: -95.628 Base-Backbone interact. energy: -1.019 local terms energy: -86.066097 where: bonds (distance) C4'-P energy: -16.942 bonds (distance) P-C4' energy: -18.178 flat angles C4'-P-C4' energy: -19.895 flat angles P-C4'-P energy: -13.728 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: 6, replica: 10 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -157.269983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.269983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.269983 (E_RNA) where: Base-Base interactions energy: -82.912 where: short stacking energy: -82.912 Base-Backbone interact. energy: 1.144 local terms energy: -75.501771 where: bonds (distance) C4'-P energy: -13.418 bonds (distance) P-C4' energy: -21.200 flat angles C4'-P-C4' energy: -13.996 flat angles P-C4'-P energy: -10.972 tors. eta vs tors. theta energy: -15.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -135.230063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.230063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.230063 (E_RNA) where: Base-Base interactions energy: -61.628 where: short stacking energy: -61.628 Base-Backbone interact. energy: -0.258 local terms energy: -73.343213 where: bonds (distance) C4'-P energy: -17.559 bonds (distance) P-C4' energy: -18.051 flat angles C4'-P-C4' energy: -16.244 flat angles P-C4'-P energy: -14.049 tors. eta vs tors. theta energy: -7.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -133.394424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.394424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.394424 (E_RNA) where: Base-Base interactions energy: -53.590 where: short stacking energy: -52.823 Base-Backbone interact. energy: -0.051 local terms energy: -79.753640 where: bonds (distance) C4'-P energy: -15.880 bonds (distance) P-C4' energy: -20.654 flat angles C4'-P-C4' energy: -20.897 flat angles P-C4'-P energy: -10.713 tors. eta vs tors. theta energy: -11.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -136.686355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.686355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.686355 (E_RNA) where: Base-Base interactions energy: -66.104 where: short stacking energy: -66.104 Base-Backbone interact. energy: -0.064 local terms energy: -70.518191 where: bonds (distance) C4'-P energy: -12.490 bonds (distance) P-C4' energy: -19.771 flat angles C4'-P-C4' energy: -15.177 flat angles P-C4'-P energy: -12.489 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: 10, replica: 4 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -123.480070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.480070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.480070 (E_RNA) where: Base-Base interactions energy: -62.409 where: short stacking energy: -63.209 Base-Backbone interact. energy: 0.723 local terms energy: -61.793402 where: bonds (distance) C4'-P energy: -16.870 bonds (distance) P-C4' energy: -11.774 flat angles C4'-P-C4' energy: -16.062 flat angles P-C4'-P energy: -2.748 tors. eta vs tors. theta energy: -14.339 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: 1, replica: 7 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -223.270794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.270794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.270794 (E_RNA) where: Base-Base interactions energy: -121.537 where: short stacking energy: -121.537 Base-Backbone interact. energy: -0.000 local terms energy: -101.733190 where: bonds (distance) C4'-P energy: -20.191 bonds (distance) P-C4' energy: -19.967 flat angles C4'-P-C4' energy: -19.467 flat angles P-C4'-P energy: -13.031 tors. eta vs tors. theta energy: -29.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -201.624072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.624072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.624072 (E_RNA) where: Base-Base interactions energy: -113.456 where: short stacking energy: -109.009 Base-Backbone interact. energy: -0.097 local terms energy: -88.071241 where: bonds (distance) C4'-P energy: -16.377 bonds (distance) P-C4' energy: -16.377 flat angles C4'-P-C4' energy: -19.312 flat angles P-C4'-P energy: -13.396 tors. eta vs tors. theta energy: -22.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -205.855109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.855109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.855109 (E_RNA) where: Base-Base interactions energy: -108.551 where: short stacking energy: -108.551 Base-Backbone interact. energy: -0.009 local terms energy: -97.294679 where: bonds (distance) C4'-P energy: -20.460 bonds (distance) P-C4' energy: -19.041 flat angles C4'-P-C4' energy: -17.794 flat angles P-C4'-P energy: -15.371 tors. eta vs tors. theta energy: -24.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -159.515541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.515541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.515541 (E_RNA) where: Base-Base interactions energy: -77.016 where: short stacking energy: -74.792 Base-Backbone interact. energy: -0.837 local terms energy: -81.663076 where: bonds (distance) C4'-P energy: -16.892 bonds (distance) P-C4' energy: -19.337 flat angles C4'-P-C4' energy: -17.638 flat angles P-C4'-P energy: -13.676 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: 5, replica: 2 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -180.558806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.558806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.558806 (E_RNA) where: Base-Base interactions energy: -105.529 where: short stacking energy: -105.529 Base-Backbone interact. energy: -0.010 local terms energy: -75.019241 where: bonds (distance) C4'-P energy: -15.260 bonds (distance) P-C4' energy: -5.524 flat angles C4'-P-C4' energy: -21.103 flat angles P-C4'-P energy: -10.218 tors. eta vs tors. theta energy: -22.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -132.690737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.690737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.690737 (E_RNA) where: Base-Base interactions energy: -66.088 where: short stacking energy: -66.088 Base-Backbone interact. energy: -0.113 local terms energy: -66.489636 where: bonds (distance) C4'-P energy: -19.345 bonds (distance) P-C4' energy: -17.700 flat angles C4'-P-C4' energy: -13.052 flat angles P-C4'-P energy: -8.233 tors. eta vs tors. theta energy: -8.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -163.122661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.122661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.122661 (E_RNA) where: Base-Base interactions energy: -88.486 where: short stacking energy: -88.486 Base-Backbone interact. energy: -0.044 local terms energy: -74.592636 where: bonds (distance) C4'-P energy: -13.430 bonds (distance) P-C4' energy: -19.914 flat angles C4'-P-C4' energy: -19.068 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: -18.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -130.547374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.547374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.547374 (E_RNA) where: Base-Base interactions energy: -62.932 where: short stacking energy: -62.353 Base-Backbone interact. energy: -0.042 local terms energy: -67.573887 where: bonds (distance) C4'-P energy: -10.290 bonds (distance) P-C4' energy: -19.347 flat angles C4'-P-C4' energy: -19.904 flat angles P-C4'-P energy: -6.995 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: 9, replica: 4 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -125.162884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.162884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.162884 (E_RNA) where: Base-Base interactions energy: -54.532 where: short stacking energy: -53.916 Base-Backbone interact. energy: -0.846 local terms energy: -69.785236 where: bonds (distance) C4'-P energy: -18.084 bonds (distance) P-C4' energy: -18.026 flat angles C4'-P-C4' energy: -15.720 flat angles P-C4'-P energy: -12.146 tors. eta vs tors. theta energy: -5.809 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: 6 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -118.685081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.685081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.685081 (E_RNA) where: Base-Base interactions energy: -49.459 where: short stacking energy: -49.459 Base-Backbone interact. energy: -0.097 local terms energy: -69.129271 where: bonds (distance) C4'-P energy: -14.584 bonds (distance) P-C4' energy: -16.483 flat angles C4'-P-C4' energy: -16.628 flat angles P-C4'-P energy: -10.544 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: 1, replica: 7 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -226.056602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.056602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.056602 (E_RNA) where: Base-Base interactions energy: -128.550 where: short stacking energy: -128.550 Base-Backbone interact. energy: -0.000 local terms energy: -97.506852 where: bonds (distance) C4'-P energy: -19.527 bonds (distance) P-C4' energy: -18.194 flat angles C4'-P-C4' energy: -19.176 flat angles P-C4'-P energy: -12.455 tors. eta vs tors. theta energy: -28.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -199.120859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.120859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.120859 (E_RNA) where: Base-Base interactions energy: -103.493 where: short stacking energy: -103.493 Base-Backbone interact. energy: -0.001 local terms energy: -95.627387 where: bonds (distance) C4'-P energy: -20.827 bonds (distance) P-C4' energy: -15.229 flat angles C4'-P-C4' energy: -19.192 flat angles P-C4'-P energy: -13.725 tors. eta vs tors. theta energy: -26.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -194.134907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.134907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.134907 (E_RNA) where: Base-Base interactions energy: -98.707 where: short stacking energy: -98.707 Base-Backbone interact. energy: -0.020 local terms energy: -95.407068 where: bonds (distance) C4'-P energy: -18.951 bonds (distance) P-C4' energy: -21.901 flat angles C4'-P-C4' energy: -18.629 flat angles P-C4'-P energy: -13.078 tors. eta vs tors. theta energy: -22.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -160.409787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.409787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.409787 (E_RNA) where: Base-Base interactions energy: -79.100 where: short stacking energy: -79.100 Base-Backbone interact. energy: -0.014 local terms energy: -81.295223 where: bonds (distance) C4'-P energy: -12.870 bonds (distance) P-C4' energy: -20.494 flat angles C4'-P-C4' energy: -17.581 flat angles P-C4'-P energy: -16.453 tors. eta vs tors. theta energy: -13.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -154.936992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.936992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.936992 (E_RNA) where: Base-Base interactions energy: -75.069 where: short stacking energy: -75.069 Base-Backbone interact. energy: -0.154 local terms energy: -79.713923 where: bonds (distance) C4'-P energy: -15.996 bonds (distance) P-C4' energy: -17.658 flat angles C4'-P-C4' energy: -22.254 flat angles P-C4'-P energy: -10.703 tors. eta vs tors. theta energy: -13.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -156.285234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.285234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.285234 (E_RNA) where: Base-Base interactions energy: -81.358 where: short stacking energy: -81.358 Base-Backbone interact. energy: -0.031 local terms energy: -74.895940 where: bonds (distance) C4'-P energy: -13.098 bonds (distance) P-C4' energy: -17.376 flat angles C4'-P-C4' energy: -16.798 flat angles P-C4'-P energy: -10.380 tors. eta vs tors. theta energy: -17.244 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: 10 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -155.812392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.812392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.812392 (E_RNA) where: Base-Base interactions energy: -70.902 where: short stacking energy: -70.902 Base-Backbone interact. energy: -0.242 local terms energy: -84.668343 where: bonds (distance) C4'-P energy: -21.162 bonds (distance) P-C4' energy: -19.150 flat angles C4'-P-C4' energy: -19.462 flat angles P-C4'-P energy: -11.720 tors. eta vs tors. theta energy: -13.174 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: 213 Temperature: 1.250000 Total energy: -127.562855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.562855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.562855 (E_RNA) where: Base-Base interactions energy: -63.108 where: short stacking energy: -61.952 Base-Backbone interact. energy: -0.138 local terms energy: -64.317236 where: bonds (distance) C4'-P energy: -15.561 bonds (distance) P-C4' energy: -18.368 flat angles C4'-P-C4' energy: -9.451 flat angles P-C4'-P energy: -8.980 tors. eta vs tors. theta energy: -11.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -143.160250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.160250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.160250 (E_RNA) where: Base-Base interactions energy: -73.753 where: short stacking energy: -73.753 Base-Backbone interact. energy: 1.054 local terms energy: -70.460936 where: bonds (distance) C4'-P energy: -11.260 bonds (distance) P-C4' energy: -20.223 flat angles C4'-P-C4' energy: -9.393 flat angles P-C4'-P energy: -12.517 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: 10, replica: 6 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -127.219116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.219116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.219116 (E_RNA) where: Base-Base interactions energy: -64.943 where: short stacking energy: -64.943 Base-Backbone interact. energy: -1.104 local terms energy: -61.171374 where: bonds (distance) C4'-P energy: -18.166 bonds (distance) P-C4' energy: -12.490 flat angles C4'-P-C4' energy: -7.553 flat angles P-C4'-P energy: -9.326 tors. eta vs tors. theta energy: -13.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -227.904643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.904643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.904643 (E_RNA) where: Base-Base interactions energy: -127.494 where: short stacking energy: -127.494 Base-Backbone interact. energy: -0.000 local terms energy: -100.410582 where: bonds (distance) C4'-P energy: -20.148 bonds (distance) P-C4' energy: -16.493 flat angles C4'-P-C4' energy: -21.205 flat angles P-C4'-P energy: -13.506 tors. eta vs tors. theta energy: -29.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -203.693582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.693582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.693582 (E_RNA) where: Base-Base interactions energy: -110.733 where: short stacking energy: -110.733 Base-Backbone interact. energy: -0.016 local terms energy: -92.945044 where: bonds (distance) C4'-P energy: -17.715 bonds (distance) P-C4' energy: -19.548 flat angles C4'-P-C4' energy: -16.105 flat angles P-C4'-P energy: -16.467 tors. eta vs tors. theta energy: -23.110 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: 3, replica: 1 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -180.891734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.891734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.891734 (E_RNA) where: Base-Base interactions energy: -89.558 where: short stacking energy: -89.558 Base-Backbone interact. energy: -0.075 local terms energy: -91.259069 where: bonds (distance) C4'-P energy: -20.240 bonds (distance) P-C4' energy: -18.296 flat angles C4'-P-C4' energy: -21.379 flat angles P-C4'-P energy: -13.891 tors. eta vs tors. theta energy: -17.454 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: 4, replica: 2 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -175.636231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.636231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.636231 (E_RNA) where: Base-Base interactions energy: -88.691 where: short stacking energy: -88.691 Base-Backbone interact. energy: -0.038 local terms energy: -86.907950 where: bonds (distance) C4'-P energy: -15.711 bonds (distance) P-C4' energy: -19.140 flat angles C4'-P-C4' energy: -16.912 flat angles P-C4'-P energy: -14.907 tors. eta vs tors. theta energy: -20.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -164.528327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.528327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.528327 (E_RNA) where: Base-Base interactions energy: -87.915 where: short stacking energy: -87.915 Base-Backbone interact. energy: -0.070 local terms energy: -76.543399 where: bonds (distance) C4'-P energy: -12.800 bonds (distance) P-C4' energy: -18.417 flat angles C4'-P-C4' energy: -18.613 flat angles P-C4'-P energy: -13.469 tors. eta vs tors. theta energy: -13.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -156.267750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.267750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.267750 (E_RNA) where: Base-Base interactions energy: -79.501 where: short stacking energy: -79.501 Base-Backbone interact. energy: -0.179 local terms energy: -76.587547 where: bonds (distance) C4'-P energy: -15.666 bonds (distance) P-C4' energy: -17.723 flat angles C4'-P-C4' energy: -15.186 flat angles P-C4'-P energy: -11.428 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: 7, replica: 10 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -153.006418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.006418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.006418 (E_RNA) where: Base-Base interactions energy: -82.665 where: short stacking energy: -82.665 Base-Backbone interact. energy: 0.165 local terms energy: -70.506109 where: bonds (distance) C4'-P energy: -14.325 bonds (distance) P-C4' energy: -17.279 flat angles C4'-P-C4' energy: -14.095 flat angles P-C4'-P energy: -12.199 tors. eta vs tors. theta energy: -12.609 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: 4 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -143.093728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.093728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.093728 (E_RNA) where: Base-Base interactions energy: -61.267 where: short stacking energy: -61.267 Base-Backbone interact. energy: -0.025 local terms energy: -81.801775 where: bonds (distance) C4'-P energy: -18.856 bonds (distance) P-C4' energy: -17.580 flat angles C4'-P-C4' energy: -15.442 flat angles P-C4'-P energy: -11.706 tors. eta vs tors. theta energy: -18.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -112.504121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.504121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.504121 (E_RNA) where: Base-Base interactions energy: -53.114 where: short stacking energy: -53.114 Base-Backbone interact. energy: 0.470 local terms energy: -59.859392 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -17.896 flat angles C4'-P-C4' energy: -20.341 flat angles P-C4'-P energy: -10.026 tors. eta vs tors. theta energy: -4.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -126.176191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.176191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.176191 (E_RNA) where: Base-Base interactions energy: -55.876 where: short stacking energy: -54.302 Base-Backbone interact. energy: -0.039 local terms energy: -70.261343 where: bonds (distance) C4'-P energy: -14.903 bonds (distance) P-C4' energy: -18.561 flat angles C4'-P-C4' energy: -19.310 flat angles P-C4'-P energy: -9.140 tors. eta vs tors. theta energy: -8.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -218.885056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.885056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.885056 (E_RNA) where: Base-Base interactions energy: -116.660 where: short stacking energy: -116.660 Base-Backbone interact. energy: -0.000 local terms energy: -102.224849 where: bonds (distance) C4'-P energy: -19.953 bonds (distance) P-C4' energy: -16.967 flat angles C4'-P-C4' energy: -19.418 flat angles P-C4'-P energy: -16.511 tors. eta vs tors. theta energy: -29.376 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: 215 Temperature: 0.950000 Total energy: -195.612530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.612530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.612530 (E_RNA) where: Base-Base interactions energy: -99.902 where: short stacking energy: -99.902 Base-Backbone interact. energy: -0.032 local terms energy: -95.678208 where: bonds (distance) C4'-P energy: -19.399 bonds (distance) P-C4' energy: -20.641 flat angles C4'-P-C4' energy: -22.754 flat angles P-C4'-P energy: -12.991 tors. eta vs tors. theta energy: -19.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -187.182173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.182173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.182173 (E_RNA) where: Base-Base interactions energy: -101.146 where: short stacking energy: -101.146 Base-Backbone interact. energy: -0.008 local terms energy: -86.028160 where: bonds (distance) C4'-P energy: -11.976 bonds (distance) P-C4' energy: -22.653 flat angles C4'-P-C4' energy: -19.124 flat angles P-C4'-P energy: -9.568 tors. eta vs tors. theta energy: -22.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -181.096064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.096064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.096064 (E_RNA) where: Base-Base interactions energy: -102.248 where: short stacking energy: -102.248 Base-Backbone interact. energy: -0.078 local terms energy: -78.769618 where: bonds (distance) C4'-P energy: -9.227 bonds (distance) P-C4' energy: -17.383 flat angles C4'-P-C4' energy: -17.748 flat angles P-C4'-P energy: -12.166 tors. eta vs tors. theta energy: -22.245 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: 5, replica: 9 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -171.186312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.186312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.186312 (E_RNA) where: Base-Base interactions energy: -89.356 where: short stacking energy: -89.356 Base-Backbone interact. energy: -0.096 local terms energy: -81.734995 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -17.403 flat angles C4'-P-C4' energy: -19.108 flat angles P-C4'-P energy: -15.482 tors. eta vs tors. theta energy: -16.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -159.492843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.492843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.492843 (E_RNA) where: Base-Base interactions energy: -85.215 where: short stacking energy: -85.215 Base-Backbone interact. energy: -0.196 local terms energy: -74.081484 where: bonds (distance) C4'-P energy: -15.151 bonds (distance) P-C4' energy: -17.656 flat angles C4'-P-C4' energy: -11.331 flat angles P-C4'-P energy: -12.067 tors. eta vs tors. theta energy: -17.876 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: 215 Temperature: 1.200000 Total energy: -143.923227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.923227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.923227 (E_RNA) where: Base-Base interactions energy: -75.269 where: short stacking energy: -75.269 Base-Backbone interact. energy: -0.030 local terms energy: -68.624217 where: bonds (distance) C4'-P energy: -12.607 bonds (distance) P-C4' energy: -15.390 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -14.935 tors. eta vs tors. theta energy: -12.414 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: 3 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -126.766753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.766753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.766753 (E_RNA) where: Base-Base interactions energy: -52.635 where: short stacking energy: -52.635 Base-Backbone interact. energy: -1.000 local terms energy: -73.131417 where: bonds (distance) C4'-P energy: -15.496 bonds (distance) P-C4' energy: -16.973 flat angles C4'-P-C4' energy: -18.372 flat angles P-C4'-P energy: -9.923 tors. eta vs tors. theta energy: -12.367 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: 215 Temperature: 1.300000 Total energy: -125.743749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.743749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.743749 (E_RNA) where: Base-Base interactions energy: -52.494 where: short stacking energy: -52.494 Base-Backbone interact. energy: -0.152 local terms energy: -73.098406 where: bonds (distance) C4'-P energy: -16.518 bonds (distance) P-C4' energy: -19.768 flat angles C4'-P-C4' energy: -17.992 flat angles P-C4'-P energy: -11.080 tors. eta vs tors. theta energy: -7.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -111.830738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.830738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.830738 (E_RNA) where: Base-Base interactions energy: -51.518 where: short stacking energy: -51.161 Base-Backbone interact. energy: 3.473 local terms energy: -63.786078 where: bonds (distance) C4'-P energy: -16.849 bonds (distance) P-C4' energy: -12.233 flat angles C4'-P-C4' energy: -15.254 flat angles P-C4'-P energy: -9.320 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: 1, replica: 8 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -208.251774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.251774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.251774 (E_RNA) where: Base-Base interactions energy: -111.521 where: short stacking energy: -111.521 Base-Backbone interact. energy: 1.193 local terms energy: -97.923260 where: bonds (distance) C4'-P energy: -20.440 bonds (distance) P-C4' energy: -19.728 flat angles C4'-P-C4' energy: -19.792 flat angles P-C4'-P energy: -10.539 tors. eta vs tors. theta energy: -27.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -214.365840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.365840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.365840 (E_RNA) where: Base-Base interactions energy: -117.487 where: short stacking energy: -117.487 Base-Backbone interact. energy: -0.000 local terms energy: -96.878834 where: bonds (distance) C4'-P energy: -17.706 bonds (distance) P-C4' energy: -19.610 flat angles C4'-P-C4' energy: -20.745 flat angles P-C4'-P energy: -13.106 tors. eta vs tors. theta energy: -25.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -192.872631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.872631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.872631 (E_RNA) where: Base-Base interactions energy: -102.418 where: short stacking energy: -102.113 Base-Backbone interact. energy: -0.094 local terms energy: -90.360942 where: bonds (distance) C4'-P energy: -16.316 bonds (distance) P-C4' energy: -18.545 flat angles C4'-P-C4' energy: -18.393 flat angles P-C4'-P energy: -13.813 tors. eta vs tors. theta energy: -23.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -188.160608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.160608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.160608 (E_RNA) where: Base-Base interactions energy: -96.896 where: short stacking energy: -96.785 Base-Backbone interact. energy: -0.068 local terms energy: -91.196788 where: bonds (distance) C4'-P energy: -20.223 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -21.555 flat angles P-C4'-P energy: -12.331 tors. eta vs tors. theta energy: -22.816 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: 10 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -161.473341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.473341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.473341 (E_RNA) where: Base-Base interactions energy: -86.175 where: short stacking energy: -86.035 Base-Backbone interact. energy: -0.126 local terms energy: -75.172056 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -16.477 flat angles C4'-P-C4' energy: -20.414 flat angles P-C4'-P energy: -10.408 tors. eta vs tors. theta energy: -14.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -157.561737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.561737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.561737 (E_RNA) where: Base-Base interactions energy: -74.069 where: short stacking energy: -74.069 Base-Backbone interact. energy: -0.117 local terms energy: -83.375520 where: bonds (distance) C4'-P energy: -19.226 bonds (distance) P-C4' energy: -17.706 flat angles C4'-P-C4' energy: -17.176 flat angles P-C4'-P energy: -10.496 tors. eta vs tors. theta energy: -18.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -149.762175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.762175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.762175 (E_RNA) where: Base-Base interactions energy: -71.908 where: short stacking energy: -71.908 Base-Backbone interact. energy: -0.005 local terms energy: -77.849401 where: bonds (distance) C4'-P energy: -16.221 bonds (distance) P-C4' energy: -19.176 flat angles C4'-P-C4' energy: -13.486 flat angles P-C4'-P energy: -10.344 tors. eta vs tors. theta energy: -18.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -156.362796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.362796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.362796 (E_RNA) where: Base-Base interactions energy: -74.008 where: short stacking energy: -74.008 Base-Backbone interact. energy: -0.097 local terms energy: -82.257276 where: bonds (distance) C4'-P energy: -16.001 bonds (distance) P-C4' energy: -17.175 flat angles C4'-P-C4' energy: -16.866 flat angles P-C4'-P energy: -13.320 tors. eta vs tors. theta energy: -18.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -127.447674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.447674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.447674 (E_RNA) where: Base-Base interactions energy: -65.416 where: short stacking energy: -65.416 Base-Backbone interact. energy: -0.127 local terms energy: -61.905057 where: bonds (distance) C4'-P energy: -16.313 bonds (distance) P-C4' energy: -14.987 flat angles C4'-P-C4' energy: -16.133 flat angles P-C4'-P energy: -4.509 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: 10, replica: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -114.359493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.359493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.359493 (E_RNA) where: Base-Base interactions energy: -52.876 where: short stacking energy: -52.719 Base-Backbone interact. energy: -0.848 local terms energy: -60.636343 where: bonds (distance) C4'-P energy: -13.528 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -14.540 flat angles P-C4'-P energy: -12.802 tors. eta vs tors. theta energy: -3.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -213.420108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.420108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.420108 (E_RNA) where: Base-Base interactions energy: -118.071 where: short stacking energy: -118.071 Base-Backbone interact. energy: -0.001 local terms energy: -95.348778 where: bonds (distance) C4'-P energy: -16.743 bonds (distance) P-C4' energy: -19.284 flat angles C4'-P-C4' energy: -19.512 flat angles P-C4'-P energy: -14.346 tors. eta vs tors. theta energy: -25.465 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: 7 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -215.518799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.518799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.518799 (E_RNA) where: Base-Base interactions energy: -120.171 where: short stacking energy: -120.171 Base-Backbone interact. energy: -0.000 local terms energy: -95.347415 where: bonds (distance) C4'-P energy: -16.323 bonds (distance) P-C4' energy: -20.870 flat angles C4'-P-C4' energy: -19.067 flat angles P-C4'-P energy: -10.802 tors. eta vs tors. theta energy: -28.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -189.796625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.796625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.796625 (E_RNA) where: Base-Base interactions energy: -92.983 where: short stacking energy: -92.983 Base-Backbone interact. energy: -0.064 local terms energy: -96.749310 where: bonds (distance) C4'-P energy: -18.544 bonds (distance) P-C4' energy: -21.031 flat angles C4'-P-C4' energy: -20.030 flat angles P-C4'-P energy: -16.145 tors. eta vs tors. theta energy: -20.998 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: 10 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -166.785417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.785417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.785417 (E_RNA) where: Base-Base interactions energy: -90.697 where: short stacking energy: -90.697 Base-Backbone interact. energy: -0.083 local terms energy: -76.005726 where: bonds (distance) C4'-P energy: -18.204 bonds (distance) P-C4' energy: -16.071 flat angles C4'-P-C4' energy: -15.694 flat angles P-C4'-P energy: -9.032 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: 5, replica: 1 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -185.670605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.670605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.670605 (E_RNA) where: Base-Base interactions energy: -106.038 where: short stacking energy: -106.038 Base-Backbone interact. energy: -0.000 local terms energy: -79.632720 where: bonds (distance) C4'-P energy: -12.328 bonds (distance) P-C4' energy: -16.200 flat angles C4'-P-C4' energy: -15.887 flat angles P-C4'-P energy: -12.708 tors. eta vs tors. theta energy: -22.510 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: 3 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -160.148862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.148862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.148862 (E_RNA) where: Base-Base interactions energy: -80.408 where: short stacking energy: -80.408 Base-Backbone interact. energy: -0.077 local terms energy: -79.663525 where: bonds (distance) C4'-P energy: -16.017 bonds (distance) P-C4' energy: -13.732 flat angles C4'-P-C4' energy: -19.856 flat angles P-C4'-P energy: -15.120 tors. eta vs tors. theta energy: -14.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -130.333120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.333120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.333120 (E_RNA) where: Base-Base interactions energy: -53.422 where: short stacking energy: -53.422 Base-Backbone interact. energy: -1.471 local terms energy: -75.440166 where: bonds (distance) C4'-P energy: -17.938 bonds (distance) P-C4' energy: -19.577 flat angles C4'-P-C4' energy: -14.845 flat angles P-C4'-P energy: -16.574 tors. eta vs tors. theta energy: -6.507 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: 6 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -122.642944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.642944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.642944 (E_RNA) where: Base-Base interactions energy: -51.598 where: short stacking energy: -51.152 Base-Backbone interact. energy: -0.313 local terms energy: -70.731254 where: bonds (distance) C4'-P energy: -16.547 bonds (distance) P-C4' energy: -17.880 flat angles C4'-P-C4' energy: -19.581 flat angles P-C4'-P energy: -9.295 tors. eta vs tors. theta energy: -7.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -117.909936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.909936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.909936 (E_RNA) where: Base-Base interactions energy: -56.899 where: short stacking energy: -56.899 Base-Backbone interact. energy: -0.951 local terms energy: -60.059938 where: bonds (distance) C4'-P energy: -15.931 bonds (distance) P-C4' energy: -17.734 flat angles C4'-P-C4' energy: -14.448 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -7.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -118.608553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.608553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.608553 (E_RNA) where: Base-Base interactions energy: -47.293 where: short stacking energy: -47.693 Base-Backbone interact. energy: -0.060 local terms energy: -71.255344 where: bonds (distance) C4'-P energy: -20.107 bonds (distance) P-C4' energy: -18.664 flat angles C4'-P-C4' energy: -17.817 flat angles P-C4'-P energy: -10.781 tors. eta vs tors. theta energy: -3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -198.623183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.623183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.623183 (E_RNA) where: Base-Base interactions energy: -104.890 where: short stacking energy: -104.890 Base-Backbone interact. energy: -0.023 local terms energy: -93.710561 where: bonds (distance) C4'-P energy: -18.463 bonds (distance) P-C4' energy: -21.476 flat angles C4'-P-C4' energy: -18.735 flat angles P-C4'-P energy: -12.531 tors. eta vs tors. theta energy: -22.506 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: 8 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -218.118099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.118099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.118099 (E_RNA) where: Base-Base interactions energy: -125.338 where: short stacking energy: -125.338 Base-Backbone interact. energy: -0.000 local terms energy: -92.779909 where: bonds (distance) C4'-P energy: -19.975 bonds (distance) P-C4' energy: -15.168 flat angles C4'-P-C4' energy: -20.377 flat angles P-C4'-P energy: -8.035 tors. eta vs tors. theta energy: -29.225 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: 10 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -185.253203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.253203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.253203 (E_RNA) where: Base-Base interactions energy: -99.036 where: short stacking energy: -99.036 Base-Backbone interact. energy: -0.026 local terms energy: -86.190429 where: bonds (distance) C4'-P energy: -20.417 bonds (distance) P-C4' energy: -20.736 flat angles C4'-P-C4' energy: -17.498 flat angles P-C4'-P energy: -7.605 tors. eta vs tors. theta energy: -19.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -184.930070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.930070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.930070 (E_RNA) where: Base-Base interactions energy: -100.292 where: short stacking energy: -100.292 Base-Backbone interact. energy: -0.027 local terms energy: -84.611565 where: bonds (distance) C4'-P energy: -14.753 bonds (distance) P-C4' energy: -18.035 flat angles C4'-P-C4' energy: -18.317 flat angles P-C4'-P energy: -12.289 tors. eta vs tors. theta energy: -21.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -173.803929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.803929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.803929 (E_RNA) where: Base-Base interactions energy: -85.474 where: short stacking energy: -85.400 Base-Backbone interact. energy: -0.108 local terms energy: -88.222221 where: bonds (distance) C4'-P energy: -18.444 bonds (distance) P-C4' energy: -19.073 flat angles C4'-P-C4' energy: -14.921 flat angles P-C4'-P energy: -13.467 tors. eta vs tors. theta energy: -22.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -156.467144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.467144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.467144 (E_RNA) where: Base-Base interactions energy: -76.985 where: short stacking energy: -76.985 Base-Backbone interact. energy: -0.106 local terms energy: -79.375725 where: bonds (distance) C4'-P energy: -20.376 bonds (distance) P-C4' energy: -19.840 flat angles C4'-P-C4' energy: -11.479 flat angles P-C4'-P energy: -9.851 tors. eta vs tors. theta energy: -17.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -125.933264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.933264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.933264 (E_RNA) where: Base-Base interactions energy: -56.935 where: short stacking energy: -56.935 Base-Backbone interact. energy: -0.110 local terms energy: -68.888777 where: bonds (distance) C4'-P energy: -16.550 bonds (distance) P-C4' energy: -17.796 flat angles C4'-P-C4' energy: -14.056 flat angles P-C4'-P energy: -12.881 tors. eta vs tors. theta energy: -7.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -124.288671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.288671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.288671 (E_RNA) where: Base-Base interactions energy: -66.829 where: short stacking energy: -66.829 Base-Backbone interact. energy: -0.024 local terms energy: -57.435161 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -14.974 flat angles C4'-P-C4' energy: -18.185 flat angles P-C4'-P energy: -10.643 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: 9, replica: 4 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -122.163460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.163460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.163460 (E_RNA) where: Base-Base interactions energy: -57.500 where: short stacking energy: -57.500 Base-Backbone interact. energy: -0.184 local terms energy: -64.479955 where: bonds (distance) C4'-P energy: -18.335 bonds (distance) P-C4' energy: -18.260 flat angles C4'-P-C4' energy: -13.098 flat angles P-C4'-P energy: -10.223 tors. eta vs tors. theta energy: -4.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -120.534631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.534631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.534631 (E_RNA) where: Base-Base interactions energy: -50.361 where: short stacking energy: -50.361 Base-Backbone interact. energy: 0.086 local terms energy: -70.259901 where: bonds (distance) C4'-P energy: -16.096 bonds (distance) P-C4' energy: -21.162 flat angles C4'-P-C4' energy: -10.622 flat angles P-C4'-P energy: -11.236 tors. eta vs tors. theta energy: -11.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -208.434655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.434655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.434655 (E_RNA) where: Base-Base interactions energy: -107.813 where: short stacking energy: -107.813 Base-Backbone interact. energy: -0.002 local terms energy: -100.620123 where: bonds (distance) C4'-P energy: -22.095 bonds (distance) P-C4' energy: -17.057 flat angles C4'-P-C4' energy: -22.014 flat angles P-C4'-P energy: -13.628 tors. eta vs tors. theta energy: -25.827 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: 8 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -221.911809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.911809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.911809 (E_RNA) where: Base-Base interactions energy: -118.229 where: short stacking energy: -118.229 Base-Backbone interact. energy: -0.001 local terms energy: -103.681999 where: bonds (distance) C4'-P energy: -19.962 bonds (distance) P-C4' energy: -18.979 flat angles C4'-P-C4' energy: -21.138 flat angles P-C4'-P energy: -14.899 tors. eta vs tors. theta energy: -28.704 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: 3, replica: 10 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -177.068048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.068048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.068048 (E_RNA) where: Base-Base interactions energy: -97.347 where: short stacking energy: -97.347 Base-Backbone interact. energy: -0.037 local terms energy: -79.683968 where: bonds (distance) C4'-P energy: -14.440 bonds (distance) P-C4' energy: -8.475 flat angles C4'-P-C4' energy: -19.002 flat angles P-C4'-P energy: -14.097 tors. eta vs tors. theta energy: -23.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -185.742943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.742943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.742943 (E_RNA) where: Base-Base interactions energy: -91.534 where: short stacking energy: -91.534 Base-Backbone interact. energy: -0.096 local terms energy: -94.112465 where: bonds (distance) C4'-P energy: -20.576 bonds (distance) P-C4' energy: -17.218 flat angles C4'-P-C4' energy: -21.173 flat angles P-C4'-P energy: -13.617 tors. eta vs tors. theta energy: -21.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -169.206903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.206903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.206903 (E_RNA) where: Base-Base interactions energy: -87.865 where: short stacking energy: -87.020 Base-Backbone interact. energy: -0.040 local terms energy: -81.301027 where: bonds (distance) C4'-P energy: -16.203 bonds (distance) P-C4' energy: -18.377 flat angles C4'-P-C4' energy: -18.043 flat angles P-C4'-P energy: -11.157 tors. eta vs tors. theta energy: -17.520 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: 9 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -189.646609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.646609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.646609 (E_RNA) where: Base-Base interactions energy: -96.999 where: short stacking energy: -96.603 Base-Backbone interact. energy: -0.059 local terms energy: -92.589079 where: bonds (distance) C4'-P energy: -15.166 bonds (distance) P-C4' energy: -20.442 flat angles C4'-P-C4' energy: -17.914 flat angles P-C4'-P energy: -16.431 tors. eta vs tors. theta energy: -22.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -157.774700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.774700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.774700 (E_RNA) where: Base-Base interactions energy: -73.077 where: short stacking energy: -73.077 Base-Backbone interact. energy: -0.064 local terms energy: -84.634387 where: bonds (distance) C4'-P energy: -14.869 bonds (distance) P-C4' energy: -18.905 flat angles C4'-P-C4' energy: -20.675 flat angles P-C4'-P energy: -13.640 tors. eta vs tors. theta energy: -16.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -141.916223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.916223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.916223 (E_RNA) where: Base-Base interactions energy: -76.089 where: short stacking energy: -76.089 Base-Backbone interact. energy: -0.235 local terms energy: -65.592315 where: bonds (distance) C4'-P energy: -14.200 bonds (distance) P-C4' energy: -19.345 flat angles C4'-P-C4' energy: -14.299 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -13.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -124.262253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.262253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.262253 (E_RNA) where: Base-Base interactions energy: -60.792 where: short stacking energy: -60.792 Base-Backbone interact. energy: -0.142 local terms energy: -63.327710 where: bonds (distance) C4'-P energy: -17.469 bonds (distance) P-C4' energy: -16.651 flat angles C4'-P-C4' energy: -12.399 flat angles P-C4'-P energy: -10.931 tors. eta vs tors. theta energy: -5.878 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: 5 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -121.255208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.255208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.255208 (E_RNA) where: Base-Base interactions energy: -59.850 where: short stacking energy: -59.787 Base-Backbone interact. energy: -0.316 local terms energy: -61.088815 where: bonds (distance) C4'-P energy: -13.401 bonds (distance) P-C4' energy: -15.407 flat angles C4'-P-C4' energy: -15.167 flat angles P-C4'-P energy: -9.528 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: 1, replica: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -220.007538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.007538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.007538 (E_RNA) where: Base-Base interactions energy: -125.414 where: short stacking energy: -125.414 Base-Backbone interact. energy: -0.000 local terms energy: -94.593837 where: bonds (distance) C4'-P energy: -15.194 bonds (distance) P-C4' energy: -18.255 flat angles C4'-P-C4' energy: -20.691 flat angles P-C4'-P energy: -14.076 tors. eta vs tors. theta energy: -26.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -200.977324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.977324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.977324 (E_RNA) where: Base-Base interactions energy: -110.059 where: short stacking energy: -110.059 Base-Backbone interact. energy: -0.001 local terms energy: -90.916956 where: bonds (distance) C4'-P energy: -19.229 bonds (distance) P-C4' energy: -17.529 flat angles C4'-P-C4' energy: -17.935 flat angles P-C4'-P energy: -10.031 tors. eta vs tors. theta energy: -26.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -197.464921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.464921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.464921 (E_RNA) where: Base-Base interactions energy: -113.074 where: short stacking energy: -113.074 Base-Backbone interact. energy: -0.000 local terms energy: -84.390808 where: bonds (distance) C4'-P energy: -20.323 bonds (distance) P-C4' energy: -14.133 flat angles C4'-P-C4' energy: -17.577 flat angles P-C4'-P energy: -8.663 tors. eta vs tors. theta energy: -23.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -188.213246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.213246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.213246 (E_RNA) where: Base-Base interactions energy: -100.352 where: short stacking energy: -100.352 Base-Backbone interact. energy: -0.000 local terms energy: -87.860643 where: bonds (distance) C4'-P energy: -16.196 bonds (distance) P-C4' energy: -18.786 flat angles C4'-P-C4' energy: -21.106 flat angles P-C4'-P energy: -10.358 tors. eta vs tors. theta energy: -21.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -163.162399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.162399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.162399 (E_RNA) where: Base-Base interactions energy: -83.388 where: short stacking energy: -83.388 Base-Backbone interact. energy: -0.001 local terms energy: -79.774209 where: bonds (distance) C4'-P energy: -12.086 bonds (distance) P-C4' energy: -19.604 flat angles C4'-P-C4' energy: -15.995 flat angles P-C4'-P energy: -13.379 tors. eta vs tors. theta energy: -18.710 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: 220 Temperature: 1.150000 Total energy: -143.871284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.871284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.871284 (E_RNA) where: Base-Base interactions energy: -66.339 where: short stacking energy: -66.339 Base-Backbone interact. energy: -0.014 local terms energy: -77.518021 where: bonds (distance) C4'-P energy: -17.566 bonds (distance) P-C4' energy: -20.150 flat angles C4'-P-C4' energy: -18.340 flat angles P-C4'-P energy: -13.351 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: 7, replica: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -123.152903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.152903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.152903 (E_RNA) where: Base-Base interactions energy: -67.360 where: short stacking energy: -66.853 Base-Backbone interact. energy: -0.053 local terms energy: -55.740518 where: bonds (distance) C4'-P energy: -10.648 bonds (distance) P-C4' energy: -14.937 flat angles C4'-P-C4' energy: -14.299 flat angles P-C4'-P energy: -9.925 tors. eta vs tors. theta energy: -5.932 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: 8, replica: 1 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -136.462574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.462574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.462574 (E_RNA) where: Base-Base interactions energy: -70.782 where: short stacking energy: -70.782 Base-Backbone interact. energy: -0.267 local terms energy: -65.413479 where: bonds (distance) C4'-P energy: -10.151 bonds (distance) P-C4' energy: -17.032 flat angles C4'-P-C4' energy: -14.446 flat angles P-C4'-P energy: -10.342 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: 9, replica: 4 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -129.643492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.643492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.643492 (E_RNA) where: Base-Base interactions energy: -64.913 where: short stacking energy: -64.913 Base-Backbone interact. energy: 0.097 local terms energy: -64.827777 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -14.587 flat angles C4'-P-C4' energy: -17.608 flat angles P-C4'-P energy: -10.760 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: 10, replica: 5 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -112.421858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.421858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.421858 (E_RNA) where: Base-Base interactions energy: -46.260 where: short stacking energy: -46.260 Base-Backbone interact. energy: -0.071 local terms energy: -66.090663 where: bonds (distance) C4'-P energy: -15.512 bonds (distance) P-C4' energy: -18.903 flat angles C4'-P-C4' energy: -14.756 flat angles P-C4'-P energy: -7.929 tors. eta vs tors. theta energy: -8.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -217.239639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.239639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.239639 (E_RNA) where: Base-Base interactions energy: -118.999 where: short stacking energy: -118.999 Base-Backbone interact. energy: -0.004 local terms energy: -98.236008 where: bonds (distance) C4'-P energy: -17.229 bonds (distance) P-C4' energy: -19.833 flat angles C4'-P-C4' energy: -21.525 flat angles P-C4'-P energy: -13.284 tors. eta vs tors. theta energy: -26.365 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: 221 Temperature: 0.950000 Total energy: -206.449943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.449943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.449943 (E_RNA) where: Base-Base interactions energy: -111.802 where: short stacking energy: -111.802 Base-Backbone interact. energy: -0.000 local terms energy: -94.647595 where: bonds (distance) C4'-P energy: -17.085 bonds (distance) P-C4' energy: -22.579 flat angles C4'-P-C4' energy: -17.151 flat angles P-C4'-P energy: -11.533 tors. eta vs tors. theta energy: -26.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -191.014086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.014086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.014086 (E_RNA) where: Base-Base interactions energy: -100.178 where: short stacking energy: -100.178 Base-Backbone interact. energy: -0.069 local terms energy: -90.767165 where: bonds (distance) C4'-P energy: -16.510 bonds (distance) P-C4' energy: -17.754 flat angles C4'-P-C4' energy: -20.847 flat angles P-C4'-P energy: -14.739 tors. eta vs tors. theta energy: -20.918 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: 9 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -175.229455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.229455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.229455 (E_RNA) where: Base-Base interactions energy: -92.766 where: short stacking energy: -92.766 Base-Backbone interact. energy: -0.010 local terms energy: -82.453531 where: bonds (distance) C4'-P energy: -16.058 bonds (distance) P-C4' energy: -16.981 flat angles C4'-P-C4' energy: -18.902 flat angles P-C4'-P energy: -12.779 tors. eta vs tors. theta energy: -17.734 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: 221 Temperature: 1.100000 Total energy: -167.609603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.609603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.609603 (E_RNA) where: Base-Base interactions energy: -89.554 where: short stacking energy: -89.554 Base-Backbone interact. energy: -0.100 local terms energy: -77.955128 where: bonds (distance) C4'-P energy: -15.192 bonds (distance) P-C4' energy: -17.804 flat angles C4'-P-C4' energy: -18.133 flat angles P-C4'-P energy: -11.050 tors. eta vs tors. theta energy: -15.775 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: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -160.465016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.465016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.465016 (E_RNA) where: Base-Base interactions energy: -77.779 where: short stacking energy: -77.779 Base-Backbone interact. energy: -0.180 local terms energy: -82.506044 where: bonds (distance) C4'-P energy: -16.784 bonds (distance) P-C4' energy: -19.731 flat angles C4'-P-C4' energy: -16.647 flat angles P-C4'-P energy: -11.907 tors. eta vs tors. theta energy: -17.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -141.502892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.502892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.502892 (E_RNA) where: Base-Base interactions energy: -72.732 where: short stacking energy: -72.732 Base-Backbone interact. energy: -0.191 local terms energy: -68.580250 where: bonds (distance) C4'-P energy: -19.061 bonds (distance) P-C4' energy: -19.548 flat angles C4'-P-C4' energy: -12.792 flat angles P-C4'-P energy: -5.360 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: 8, replica: 4 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -131.695967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.695967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.695967 (E_RNA) where: Base-Base interactions energy: -70.127 where: short stacking energy: -70.127 Base-Backbone interact. energy: -0.524 local terms energy: -61.044426 where: bonds (distance) C4'-P energy: -11.218 bonds (distance) P-C4' energy: -13.813 flat angles C4'-P-C4' energy: -17.646 flat angles P-C4'-P energy: -8.240 tors. eta vs tors. theta energy: -10.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -132.236461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.236461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.236461 (E_RNA) where: Base-Base interactions energy: -58.685 where: short stacking energy: -58.685 Base-Backbone interact. energy: -0.093 local terms energy: -73.458579 where: bonds (distance) C4'-P energy: -13.976 bonds (distance) P-C4' energy: -19.624 flat angles C4'-P-C4' energy: -18.821 flat angles P-C4'-P energy: -10.388 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: 10, replica: 5 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -100.894530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.894530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.894530 (E_RNA) where: Base-Base interactions energy: -45.106 where: short stacking energy: -45.106 Base-Backbone interact. energy: -0.434 local terms energy: -55.353820 where: bonds (distance) C4'-P energy: -17.486 bonds (distance) P-C4' energy: -16.881 flat angles C4'-P-C4' energy: -12.492 flat angles P-C4'-P energy: -6.982 tors. eta vs tors. theta energy: -1.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -223.915248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.915248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.915248 (E_RNA) where: Base-Base interactions energy: -123.960 where: short stacking energy: -123.960 Base-Backbone interact. energy: -0.000 local terms energy: -99.955335 where: bonds (distance) C4'-P energy: -20.626 bonds (distance) P-C4' energy: -19.400 flat angles C4'-P-C4' energy: -22.461 flat angles P-C4'-P energy: -9.117 tors. eta vs tors. theta energy: -28.351 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: 2, replica: 7 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -221.419414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.419414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.419414 (E_RNA) where: Base-Base interactions energy: -120.248 where: short stacking energy: -120.248 Base-Backbone interact. energy: -0.098 local terms energy: -101.074076 where: bonds (distance) C4'-P energy: -17.268 bonds (distance) P-C4' energy: -20.877 flat angles C4'-P-C4' energy: -22.152 flat angles P-C4'-P energy: -13.464 tors. eta vs tors. theta energy: -27.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -175.739059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.739059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.739059 (E_RNA) where: Base-Base interactions energy: -90.439 where: short stacking energy: -90.439 Base-Backbone interact. energy: -0.091 local terms energy: -85.209700 where: bonds (distance) C4'-P energy: -19.491 bonds (distance) P-C4' energy: -16.983 flat angles C4'-P-C4' energy: -15.482 flat angles P-C4'-P energy: -14.152 tors. eta vs tors. theta energy: -19.102 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: 10 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -185.526794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.526794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.526794 (E_RNA) where: Base-Base interactions energy: -99.335 where: short stacking energy: -99.335 Base-Backbone interact. energy: -0.033 local terms energy: -86.158906 where: bonds (distance) C4'-P energy: -14.964 bonds (distance) P-C4' energy: -22.119 flat angles C4'-P-C4' energy: -18.741 flat angles P-C4'-P energy: -11.554 tors. eta vs tors. theta energy: -18.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -166.829270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.829270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.829270 (E_RNA) where: Base-Base interactions energy: -88.951 where: short stacking energy: -88.951 Base-Backbone interact. energy: -0.085 local terms energy: -77.793036 where: bonds (distance) C4'-P energy: -13.287 bonds (distance) P-C4' energy: -18.439 flat angles C4'-P-C4' energy: -18.740 flat angles P-C4'-P energy: -9.022 tors. eta vs tors. theta energy: -18.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -154.424207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.424207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.424207 (E_RNA) where: Base-Base interactions energy: -78.371 where: short stacking energy: -78.371 Base-Backbone interact. energy: -0.087 local terms energy: -75.965763 where: bonds (distance) C4'-P energy: -17.389 bonds (distance) P-C4' energy: -12.376 flat angles C4'-P-C4' energy: -16.354 flat angles P-C4'-P energy: -11.610 tors. eta vs tors. theta energy: -18.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -145.235793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.235793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.235793 (E_RNA) where: Base-Base interactions energy: -77.353 where: short stacking energy: -77.353 Base-Backbone interact. energy: -0.309 local terms energy: -67.573862 where: bonds (distance) C4'-P energy: -11.699 bonds (distance) P-C4' energy: -15.617 flat angles C4'-P-C4' energy: -19.563 flat angles P-C4'-P energy: -5.447 tors. eta vs tors. theta energy: -15.248 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: 3 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -127.483494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.483494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.483494 (E_RNA) where: Base-Base interactions energy: -60.471 where: short stacking energy: -60.471 Base-Backbone interact. energy: 0.182 local terms energy: -67.194586 where: bonds (distance) C4'-P energy: -18.273 bonds (distance) P-C4' energy: -11.896 flat angles C4'-P-C4' energy: -16.155 flat angles P-C4'-P energy: -10.380 tors. eta vs tors. theta energy: -10.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -122.163353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.163353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.163353 (E_RNA) where: Base-Base interactions energy: -50.931 where: short stacking energy: -50.931 Base-Backbone interact. energy: -0.045 local terms energy: -71.187186 where: bonds (distance) C4'-P energy: -16.706 bonds (distance) P-C4' energy: -17.850 flat angles C4'-P-C4' energy: -14.065 flat angles P-C4'-P energy: -12.426 tors. eta vs tors. theta energy: -10.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -114.374478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.374478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.374478 (E_RNA) where: Base-Base interactions energy: -49.905 where: short stacking energy: -47.888 Base-Backbone interact. energy: -0.294 local terms energy: -64.175836 where: bonds (distance) C4'-P energy: -16.137 bonds (distance) P-C4' energy: -18.273 flat angles C4'-P-C4' energy: -15.545 flat angles P-C4'-P energy: -9.488 tors. eta vs tors. theta energy: -4.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -220.971732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.971732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.971732 (E_RNA) where: Base-Base interactions energy: -124.671 where: short stacking energy: -124.671 Base-Backbone interact. energy: -0.000 local terms energy: -96.300341 where: bonds (distance) C4'-P energy: -17.719 bonds (distance) P-C4' energy: -19.093 flat angles C4'-P-C4' energy: -20.018 flat angles P-C4'-P energy: -9.815 tors. eta vs tors. theta energy: -29.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -195.095539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.095539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.095539 (E_RNA) where: Base-Base interactions energy: -97.993 where: short stacking energy: -97.993 Base-Backbone interact. energy: -0.046 local terms energy: -97.055948 where: bonds (distance) C4'-P energy: -18.165 bonds (distance) P-C4' energy: -22.812 flat angles C4'-P-C4' energy: -18.042 flat angles P-C4'-P energy: -14.870 tors. eta vs tors. theta energy: -23.166 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: 7 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -212.389562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.389562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.389562 (E_RNA) where: Base-Base interactions energy: -116.256 where: short stacking energy: -116.256 Base-Backbone interact. energy: -0.022 local terms energy: -96.111581 where: bonds (distance) C4'-P energy: -16.071 bonds (distance) P-C4' energy: -21.719 flat angles C4'-P-C4' energy: -17.848 flat angles P-C4'-P energy: -11.733 tors. eta vs tors. theta energy: -28.741 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: 10 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -161.820790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.820790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.820790 (E_RNA) where: Base-Base interactions energy: -86.506 where: short stacking energy: -86.506 Base-Backbone interact. energy: 0.158 local terms energy: -75.473160 where: bonds (distance) C4'-P energy: -16.468 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -23.319 flat angles P-C4'-P energy: -12.334 tors. eta vs tors. theta energy: -9.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -159.127277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.127277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.127277 (E_RNA) where: Base-Base interactions energy: -78.355 where: short stacking energy: -78.355 Base-Backbone interact. energy: -0.032 local terms energy: -80.740498 where: bonds (distance) C4'-P energy: -17.652 bonds (distance) P-C4' energy: -17.350 flat angles C4'-P-C4' energy: -20.193 flat angles P-C4'-P energy: -8.669 tors. eta vs tors. theta energy: -16.876 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: 6, replica: 4 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -164.071215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.071215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.071215 (E_RNA) where: Base-Base interactions energy: -90.134 where: short stacking energy: -90.134 Base-Backbone interact. energy: -0.054 local terms energy: -73.883272 where: bonds (distance) C4'-P energy: -14.638 bonds (distance) P-C4' energy: -14.955 flat angles C4'-P-C4' energy: -17.315 flat angles P-C4'-P energy: -10.964 tors. eta vs tors. theta energy: -16.011 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: 2 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -143.672664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.672664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.672664 (E_RNA) where: Base-Base interactions energy: -69.786 where: short stacking energy: -69.786 Base-Backbone interact. energy: -0.135 local terms energy: -73.751481 where: bonds (distance) C4'-P energy: -10.636 bonds (distance) P-C4' energy: -18.560 flat angles C4'-P-C4' energy: -20.310 flat angles P-C4'-P energy: -12.524 tors. eta vs tors. theta energy: -11.721 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: 5 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -131.176018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.176018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.176018 (E_RNA) where: Base-Base interactions energy: -69.539 where: short stacking energy: -67.772 Base-Backbone interact. energy: -0.192 local terms energy: -61.444574 where: bonds (distance) C4'-P energy: -13.285 bonds (distance) P-C4' energy: -16.684 flat angles C4'-P-C4' energy: -17.261 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -9.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -118.073784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.073784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.073784 (E_RNA) where: Base-Base interactions energy: -50.894 where: short stacking energy: -50.894 Base-Backbone interact. energy: -0.080 local terms energy: -67.100118 where: bonds (distance) C4'-P energy: -17.795 bonds (distance) P-C4' energy: -19.095 flat angles C4'-P-C4' energy: -16.699 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -8.880 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: 1 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -100.212707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.212707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.212707 (E_RNA) where: Base-Base interactions energy: -45.168 where: short stacking energy: -45.168 Base-Backbone interact. energy: 0.181 local terms energy: -55.226133 where: bonds (distance) C4'-P energy: -12.310 bonds (distance) P-C4' energy: -18.328 flat angles C4'-P-C4' energy: -7.901 flat angles P-C4'-P energy: -13.957 tors. eta vs tors. theta energy: -2.730 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: 9 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -202.214286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.214286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.214286 (E_RNA) where: Base-Base interactions energy: -110.877 where: short stacking energy: -110.877 Base-Backbone interact. energy: -0.017 local terms energy: -91.320368 where: bonds (distance) C4'-P energy: -17.169 bonds (distance) P-C4' energy: -17.049 flat angles C4'-P-C4' energy: -19.861 flat angles P-C4'-P energy: -13.314 tors. eta vs tors. theta energy: -23.928 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: 8 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -204.366946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.366946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.366946 (E_RNA) where: Base-Base interactions energy: -113.164 where: short stacking energy: -113.164 Base-Backbone interact. energy: -0.119 local terms energy: -91.084531 where: bonds (distance) C4'-P energy: -18.177 bonds (distance) P-C4' energy: -17.037 flat angles C4'-P-C4' energy: -19.019 flat angles P-C4'-P energy: -11.788 tors. eta vs tors. theta energy: -25.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -206.398150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.398150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.398150 (E_RNA) where: Base-Base interactions energy: -114.080 where: short stacking energy: -114.080 Base-Backbone interact. energy: -0.001 local terms energy: -92.317336 where: bonds (distance) C4'-P energy: -15.772 bonds (distance) P-C4' energy: -17.556 flat angles C4'-P-C4' energy: -20.945 flat angles P-C4'-P energy: -11.154 tors. eta vs tors. theta energy: -26.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -175.317670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.317670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.317670 (E_RNA) where: Base-Base interactions energy: -91.768 where: short stacking energy: -89.248 Base-Backbone interact. energy: -0.210 local terms energy: -83.339463 where: bonds (distance) C4'-P energy: -15.915 bonds (distance) P-C4' energy: -14.433 flat angles C4'-P-C4' energy: -18.698 flat angles P-C4'-P energy: -15.062 tors. eta vs tors. theta energy: -19.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -174.166078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.166078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.166078 (E_RNA) where: Base-Base interactions energy: -95.136 where: short stacking energy: -95.136 Base-Backbone interact. energy: -0.158 local terms energy: -78.872424 where: bonds (distance) C4'-P energy: -15.003 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -19.658 flat angles P-C4'-P energy: -12.561 tors. eta vs tors. theta energy: -19.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -161.688784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.688784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.688784 (E_RNA) where: Base-Base interactions energy: -81.246 where: short stacking energy: -81.246 Base-Backbone interact. energy: -0.133 local terms energy: -80.309623 where: bonds (distance) C4'-P energy: -17.297 bonds (distance) P-C4' energy: -17.725 flat angles C4'-P-C4' energy: -15.004 flat angles P-C4'-P energy: -11.401 tors. eta vs tors. theta energy: -18.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -131.391483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.391483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.391483 (E_RNA) where: Base-Base interactions energy: -56.979 where: short stacking energy: -56.829 Base-Backbone interact. energy: -0.924 local terms energy: -73.489075 where: bonds (distance) C4'-P energy: -16.726 bonds (distance) P-C4' energy: -18.439 flat angles C4'-P-C4' energy: -17.713 flat angles P-C4'-P energy: -10.501 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: 8, replica: 2 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -113.184357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.184357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.184357 (E_RNA) where: Base-Base interactions energy: -47.444 where: short stacking energy: -47.444 Base-Backbone interact. energy: -0.421 local terms energy: -65.319739 where: bonds (distance) C4'-P energy: -14.058 bonds (distance) P-C4' energy: -17.381 flat angles C4'-P-C4' energy: -14.622 flat angles P-C4'-P energy: -12.222 tors. eta vs tors. theta energy: -7.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -127.764192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.764192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.764192 (E_RNA) where: Base-Base interactions energy: -58.468 where: short stacking energy: -58.304 Base-Backbone interact. energy: 1.256 local terms energy: -70.552307 where: bonds (distance) C4'-P energy: -19.019 bonds (distance) P-C4' energy: -16.219 flat angles C4'-P-C4' energy: -18.565 flat angles P-C4'-P energy: -9.822 tors. eta vs tors. theta energy: -6.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -109.678577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.678577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.678577 (E_RNA) where: Base-Base interactions energy: -47.709 where: short stacking energy: -47.206 Base-Backbone interact. energy: -0.076 local terms energy: -61.894227 where: bonds (distance) C4'-P energy: -11.745 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -18.022 flat angles P-C4'-P energy: -9.597 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: 1, replica: 9 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -196.636048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.636048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.636048 (E_RNA) where: Base-Base interactions energy: -105.982 where: short stacking energy: -105.982 Base-Backbone interact. energy: 0.527 local terms energy: -91.180673 where: bonds (distance) C4'-P energy: -19.285 bonds (distance) P-C4' energy: -21.101 flat angles C4'-P-C4' energy: -20.019 flat angles P-C4'-P energy: -9.389 tors. eta vs tors. theta energy: -21.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -195.340142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.340142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.340142 (E_RNA) where: Base-Base interactions energy: -102.299 where: short stacking energy: -102.299 Base-Backbone interact. energy: 0.006 local terms energy: -93.047388 where: bonds (distance) C4'-P energy: -19.602 bonds (distance) P-C4' energy: -16.443 flat angles C4'-P-C4' energy: -22.335 flat angles P-C4'-P energy: -17.061 tors. eta vs tors. theta energy: -17.606 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: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -200.292782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.292782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.292782 (E_RNA) where: Base-Base interactions energy: -104.830 where: short stacking energy: -104.830 Base-Backbone interact. energy: -0.986 local terms energy: -94.477667 where: bonds (distance) C4'-P energy: -18.240 bonds (distance) P-C4' energy: -18.072 flat angles C4'-P-C4' energy: -19.288 flat angles P-C4'-P energy: -16.503 tors. eta vs tors. theta energy: -22.375 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: 225 Temperature: 1.050000 Total energy: -179.272067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.272067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.272067 (E_RNA) where: Base-Base interactions energy: -92.058 where: short stacking energy: -92.058 Base-Backbone interact. energy: 1.325 local terms energy: -88.538683 where: bonds (distance) C4'-P energy: -20.654 bonds (distance) P-C4' energy: -17.551 flat angles C4'-P-C4' energy: -21.053 flat angles P-C4'-P energy: -10.727 tors. eta vs tors. theta energy: -18.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -184.878704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.878704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.878704 (E_RNA) where: Base-Base interactions energy: -102.852 where: short stacking energy: -102.852 Base-Backbone interact. energy: -0.000 local terms energy: -82.026077 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -18.329 flat angles C4'-P-C4' energy: -15.305 flat angles P-C4'-P energy: -11.467 tors. eta vs tors. theta energy: -22.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -164.060206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.060206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.060206 (E_RNA) where: Base-Base interactions energy: -88.067 where: short stacking energy: -87.372 Base-Backbone interact. energy: -0.100 local terms energy: -75.892828 where: bonds (distance) C4'-P energy: -13.808 bonds (distance) P-C4' energy: -14.951 flat angles C4'-P-C4' energy: -16.728 flat angles P-C4'-P energy: -9.065 tors. eta vs tors. theta energy: -21.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -137.972812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.972812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.972812 (E_RNA) where: Base-Base interactions energy: -78.573 where: short stacking energy: -78.573 Base-Backbone interact. energy: 0.059 local terms energy: -59.458667 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -11.162 flat angles C4'-P-C4' energy: -14.830 flat angles P-C4'-P energy: -12.544 tors. eta vs tors. theta energy: -7.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -124.552285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.552285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.552285 (E_RNA) where: Base-Base interactions energy: -61.212 where: short stacking energy: -61.212 Base-Backbone interact. energy: 1.053 local terms energy: -64.393063 where: bonds (distance) C4'-P energy: -12.518 bonds (distance) P-C4' energy: -15.813 flat angles C4'-P-C4' energy: -14.896 flat angles P-C4'-P energy: -9.640 tors. eta vs tors. theta energy: -11.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -134.143526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.143526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.143526 (E_RNA) where: Base-Base interactions energy: -65.990 where: short stacking energy: -65.990 Base-Backbone interact. energy: -0.117 local terms energy: -68.035902 where: bonds (distance) C4'-P energy: -15.958 bonds (distance) P-C4' energy: -17.509 flat angles C4'-P-C4' energy: -12.706 flat angles P-C4'-P energy: -8.558 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: 10, replica: 3 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -122.106795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.106795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.106795 (E_RNA) where: Base-Base interactions energy: -60.115 where: short stacking energy: -59.627 Base-Backbone interact. energy: -0.205 local terms energy: -61.787420 where: bonds (distance) C4'-P energy: -11.442 bonds (distance) P-C4' energy: -15.848 flat angles C4'-P-C4' energy: -19.678 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -10.650 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: 7 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -201.469506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.469506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.469506 (E_RNA) where: Base-Base interactions energy: -109.204 where: short stacking energy: -109.204 Base-Backbone interact. energy: -0.018 local terms energy: -92.247890 where: bonds (distance) C4'-P energy: -14.688 bonds (distance) P-C4' energy: -18.738 flat angles C4'-P-C4' energy: -20.736 flat angles P-C4'-P energy: -15.888 tors. eta vs tors. theta energy: -22.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -185.907575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.907575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.907575 (E_RNA) where: Base-Base interactions energy: -96.870 where: short stacking energy: -96.870 Base-Backbone interact. energy: -0.015 local terms energy: -89.022815 where: bonds (distance) C4'-P energy: -16.687 bonds (distance) P-C4' energy: -20.561 flat angles C4'-P-C4' energy: -17.887 flat angles P-C4'-P energy: -13.207 tors. eta vs tors. theta energy: -20.681 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: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -186.973257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.973257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.973257 (E_RNA) where: Base-Base interactions energy: -95.270 where: short stacking energy: -95.270 Base-Backbone interact. energy: -0.686 local terms energy: -91.017009 where: bonds (distance) C4'-P energy: -18.985 bonds (distance) P-C4' energy: -19.203 flat angles C4'-P-C4' energy: -18.225 flat angles P-C4'-P energy: -14.604 tors. eta vs tors. theta energy: -20.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -186.659873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.659873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.659873 (E_RNA) where: Base-Base interactions energy: -99.579 where: short stacking energy: -99.579 Base-Backbone interact. energy: -0.109 local terms energy: -86.972384 where: bonds (distance) C4'-P energy: -14.130 bonds (distance) P-C4' energy: -17.213 flat angles C4'-P-C4' energy: -20.927 flat angles P-C4'-P energy: -14.149 tors. eta vs tors. theta energy: -20.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -159.127355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.127355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.127355 (E_RNA) where: Base-Base interactions energy: -86.077 where: short stacking energy: -86.077 Base-Backbone interact. energy: 0.377 local terms energy: -73.427552 where: bonds (distance) C4'-P energy: -15.894 bonds (distance) P-C4' energy: -19.963 flat angles C4'-P-C4' energy: -11.905 flat angles P-C4'-P energy: -10.324 tors. eta vs tors. theta energy: -15.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -155.813373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.813373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.813373 (E_RNA) where: Base-Base interactions energy: -75.102 where: short stacking energy: -75.102 Base-Backbone interact. energy: -0.264 local terms energy: -80.446771 where: bonds (distance) C4'-P energy: -13.828 bonds (distance) P-C4' energy: -17.682 flat angles C4'-P-C4' energy: -17.239 flat angles P-C4'-P energy: -14.499 tors. eta vs tors. theta energy: -17.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -139.425528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.425528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.425528 (E_RNA) where: Base-Base interactions energy: -70.421 where: short stacking energy: -70.921 Base-Backbone interact. energy: -0.546 local terms energy: -68.459075 where: bonds (distance) C4'-P energy: -12.908 bonds (distance) P-C4' energy: -14.213 flat angles C4'-P-C4' energy: -21.930 flat angles P-C4'-P energy: -8.516 tors. eta vs tors. theta energy: -10.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -126.740985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.740985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.740985 (E_RNA) where: Base-Base interactions energy: -58.165 where: short stacking energy: -57.892 Base-Backbone interact. energy: -0.936 local terms energy: -67.640070 where: bonds (distance) C4'-P energy: -15.268 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -18.150 flat angles P-C4'-P energy: -11.444 tors. eta vs tors. theta energy: -10.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -124.944023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.944023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.944023 (E_RNA) where: Base-Base interactions energy: -62.977 where: short stacking energy: -62.977 Base-Backbone interact. energy: -0.674 local terms energy: -61.292823 where: bonds (distance) C4'-P energy: -18.356 bonds (distance) P-C4' energy: -9.969 flat angles C4'-P-C4' energy: -17.101 flat angles P-C4'-P energy: -6.843 tors. eta vs tors. theta energy: -9.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -123.515271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.515271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.515271 (E_RNA) where: Base-Base interactions energy: -55.050 where: short stacking energy: -55.050 Base-Backbone interact. energy: -0.434 local terms energy: -68.031257 where: bonds (distance) C4'-P energy: -16.237 bonds (distance) P-C4' energy: -15.253 flat angles C4'-P-C4' energy: -17.661 flat angles P-C4'-P energy: -9.746 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: 1, replica: 7 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -212.622287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.622287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.622287 (E_RNA) where: Base-Base interactions energy: -113.719 where: short stacking energy: -113.719 Base-Backbone interact. energy: -0.000 local terms energy: -98.903144 where: bonds (distance) C4'-P energy: -17.247 bonds (distance) P-C4' energy: -20.746 flat angles C4'-P-C4' energy: -21.642 flat angles P-C4'-P energy: -12.791 tors. eta vs tors. theta energy: -26.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -188.916692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.916692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.916692 (E_RNA) where: Base-Base interactions energy: -100.162 where: short stacking energy: -100.162 Base-Backbone interact. energy: -0.012 local terms energy: -88.742651 where: bonds (distance) C4'-P energy: -18.228 bonds (distance) P-C4' energy: -17.689 flat angles C4'-P-C4' energy: -20.768 flat angles P-C4'-P energy: -10.958 tors. eta vs tors. theta energy: -21.099 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: 9 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -184.507478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.507478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.507478 (E_RNA) where: Base-Base interactions energy: -97.771 where: short stacking energy: -97.771 Base-Backbone interact. energy: -0.237 local terms energy: -86.499884 where: bonds (distance) C4'-P energy: -10.903 bonds (distance) P-C4' energy: -20.869 flat angles C4'-P-C4' energy: -20.669 flat angles P-C4'-P energy: -13.016 tors. eta vs tors. theta energy: -21.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -175.261661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.261661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.261661 (E_RNA) where: Base-Base interactions energy: -94.056 where: short stacking energy: -94.056 Base-Backbone interact. energy: -0.040 local terms energy: -81.166277 where: bonds (distance) C4'-P energy: -15.595 bonds (distance) P-C4' energy: -18.054 flat angles C4'-P-C4' energy: -14.863 flat angles P-C4'-P energy: -12.706 tors. eta vs tors. theta energy: -19.948 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: 8 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -175.233024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.233024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.233024 (E_RNA) where: Base-Base interactions energy: -94.459 where: short stacking energy: -94.459 Base-Backbone interact. energy: -0.031 local terms energy: -80.742531 where: bonds (distance) C4'-P energy: -16.134 bonds (distance) P-C4' energy: -16.399 flat angles C4'-P-C4' energy: -17.304 flat angles P-C4'-P energy: -8.203 tors. eta vs tors. theta energy: -22.703 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: 1 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -160.037161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.037161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.037161 (E_RNA) where: Base-Base interactions energy: -79.084 where: short stacking energy: -79.043 Base-Backbone interact. energy: -0.009 local terms energy: -80.944549 where: bonds (distance) C4'-P energy: -12.825 bonds (distance) P-C4' energy: -18.332 flat angles C4'-P-C4' energy: -21.636 flat angles P-C4'-P energy: -10.473 tors. eta vs tors. theta energy: -17.678 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: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -129.555936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.555936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.555936 (E_RNA) where: Base-Base interactions energy: -66.286 where: short stacking energy: -66.286 Base-Backbone interact. energy: -0.078 local terms energy: -63.191439 where: bonds (distance) C4'-P energy: -16.730 bonds (distance) P-C4' energy: -13.162 flat angles C4'-P-C4' energy: -17.286 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -11.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -127.657762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.657762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.657762 (E_RNA) where: Base-Base interactions energy: -55.465 where: short stacking energy: -55.465 Base-Backbone interact. energy: -0.018 local terms energy: -72.175183 where: bonds (distance) C4'-P energy: -20.049 bonds (distance) P-C4' energy: -15.507 flat angles C4'-P-C4' energy: -17.813 flat angles P-C4'-P energy: -10.398 tors. eta vs tors. theta energy: -8.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -127.838327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.838327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.838327 (E_RNA) where: Base-Base interactions energy: -60.384 where: short stacking energy: -59.399 Base-Backbone interact. energy: -0.063 local terms energy: -67.391770 where: bonds (distance) C4'-P energy: -17.499 bonds (distance) P-C4' energy: -19.638 flat angles C4'-P-C4' energy: -13.852 flat angles P-C4'-P energy: -12.519 tors. eta vs tors. theta energy: -3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -124.383765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.383765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.383765 (E_RNA) where: Base-Base interactions energy: -57.612 where: short stacking energy: -57.612 Base-Backbone interact. energy: 0.520 local terms energy: -67.291840 where: bonds (distance) C4'-P energy: -14.218 bonds (distance) P-C4' energy: -21.959 flat angles C4'-P-C4' energy: -17.200 flat angles P-C4'-P energy: -6.975 tors. eta vs tors. theta energy: -6.939 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: 10 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -210.913623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.913623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.913623 (E_RNA) where: Base-Base interactions energy: -114.715 where: short stacking energy: -114.715 Base-Backbone interact. energy: -0.019 local terms energy: -96.179769 where: bonds (distance) C4'-P energy: -18.641 bonds (distance) P-C4' energy: -17.868 flat angles C4'-P-C4' energy: -18.484 flat angles P-C4'-P energy: -12.824 tors. eta vs tors. theta energy: -28.362 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: 7 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -206.995161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.995161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.995161 (E_RNA) where: Base-Base interactions energy: -108.904 where: short stacking energy: -109.904 Base-Backbone interact. energy: -0.001 local terms energy: -98.089473 where: bonds (distance) C4'-P energy: -14.636 bonds (distance) P-C4' energy: -20.824 flat angles C4'-P-C4' energy: -22.015 flat angles P-C4'-P energy: -14.257 tors. eta vs tors. theta energy: -26.357 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: 9 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -187.524223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.524223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.524223 (E_RNA) where: Base-Base interactions energy: -96.189 where: short stacking energy: -96.189 Base-Backbone interact. energy: -0.106 local terms energy: -91.228419 where: bonds (distance) C4'-P energy: -20.096 bonds (distance) P-C4' energy: -17.344 flat angles C4'-P-C4' energy: -20.880 flat angles P-C4'-P energy: -12.301 tors. eta vs tors. theta energy: -20.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -170.558413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.558413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.558413 (E_RNA) where: Base-Base interactions energy: -88.492 where: short stacking energy: -88.492 Base-Backbone interact. energy: -0.030 local terms energy: -82.036279 where: bonds (distance) C4'-P energy: -18.666 bonds (distance) P-C4' energy: -19.428 flat angles C4'-P-C4' energy: -18.648 flat angles P-C4'-P energy: -6.811 tors. eta vs tors. theta energy: -18.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -168.018536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.018536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.018536 (E_RNA) where: Base-Base interactions energy: -86.704 where: short stacking energy: -86.704 Base-Backbone interact. energy: -0.019 local terms energy: -81.295612 where: bonds (distance) C4'-P energy: -17.247 bonds (distance) P-C4' energy: -18.763 flat angles C4'-P-C4' energy: -18.265 flat angles P-C4'-P energy: -10.356 tors. eta vs tors. theta energy: -16.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -144.935336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.935336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.935336 (E_RNA) where: Base-Base interactions energy: -79.723 where: short stacking energy: -78.838 Base-Backbone interact. energy: -0.090 local terms energy: -65.122129 where: bonds (distance) C4'-P energy: -13.438 bonds (distance) P-C4' energy: -17.645 flat angles C4'-P-C4' energy: -16.779 flat angles P-C4'-P energy: -7.747 tors. eta vs tors. theta energy: -9.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -164.636825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.636825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.636825 (E_RNA) where: Base-Base interactions energy: -83.575 where: short stacking energy: -82.486 Base-Backbone interact. energy: 0.541 local terms energy: -81.603236 where: bonds (distance) C4'-P energy: -13.235 bonds (distance) P-C4' energy: -15.396 flat angles C4'-P-C4' energy: -19.131 flat angles P-C4'-P energy: -15.732 tors. eta vs tors. theta energy: -18.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -130.375718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.375718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.375718 (E_RNA) where: Base-Base interactions energy: -67.787 where: short stacking energy: -66.994 Base-Backbone interact. energy: -0.489 local terms energy: -62.099240 where: bonds (distance) C4'-P energy: -8.747 bonds (distance) P-C4' energy: -13.465 flat angles C4'-P-C4' energy: -15.574 flat angles P-C4'-P energy: -13.759 tors. eta vs tors. theta energy: -10.554 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: 9, replica: 3 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -134.801720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.801720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.801720 (E_RNA) where: Base-Base interactions energy: -63.171 where: short stacking energy: -63.075 Base-Backbone interact. energy: -0.010 local terms energy: -71.621223 where: bonds (distance) C4'-P energy: -16.473 bonds (distance) P-C4' energy: -19.685 flat angles C4'-P-C4' energy: -17.460 flat angles P-C4'-P energy: -10.252 tors. eta vs tors. theta energy: -7.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -125.285302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.285302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.285302 (E_RNA) where: Base-Base interactions energy: -70.004 where: short stacking energy: -70.004 Base-Backbone interact. energy: -0.026 local terms energy: -55.254716 where: bonds (distance) C4'-P energy: -8.290 bonds (distance) P-C4' energy: -11.283 flat angles C4'-P-C4' energy: -15.750 flat angles P-C4'-P energy: -7.471 tors. eta vs tors. theta energy: -12.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -208.266028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.266028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.266028 (E_RNA) where: Base-Base interactions energy: -114.582 where: short stacking energy: -114.582 Base-Backbone interact. energy: -0.000 local terms energy: -93.684280 where: bonds (distance) C4'-P energy: -17.494 bonds (distance) P-C4' energy: -19.774 flat angles C4'-P-C4' energy: -17.101 flat angles P-C4'-P energy: -12.085 tors. eta vs tors. theta energy: -27.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -211.966494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.966494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.966494 (E_RNA) where: Base-Base interactions energy: -112.398 where: short stacking energy: -112.398 Base-Backbone interact. energy: -0.000 local terms energy: -99.568218 where: bonds (distance) C4'-P energy: -20.832 bonds (distance) P-C4' energy: -15.639 flat angles C4'-P-C4' energy: -21.751 flat angles P-C4'-P energy: -13.836 tors. eta vs tors. theta energy: -27.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -189.401290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.401290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.401290 (E_RNA) where: Base-Base interactions energy: -100.080 where: short stacking energy: -100.080 Base-Backbone interact. energy: -0.027 local terms energy: -89.293888 where: bonds (distance) C4'-P energy: -17.943 bonds (distance) P-C4' energy: -17.037 flat angles C4'-P-C4' energy: -21.895 flat angles P-C4'-P energy: -11.052 tors. eta vs tors. theta energy: -21.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -189.052594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.052594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.052594 (E_RNA) where: Base-Base interactions energy: -100.989 where: short stacking energy: -100.989 Base-Backbone interact. energy: -0.007 local terms energy: -88.055982 where: bonds (distance) C4'-P energy: -18.109 bonds (distance) P-C4' energy: -18.414 flat angles C4'-P-C4' energy: -18.601 flat angles P-C4'-P energy: -14.039 tors. eta vs tors. theta energy: -18.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -183.938158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.938158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.938158 (E_RNA) where: Base-Base interactions energy: -99.898 where: short stacking energy: -99.898 Base-Backbone interact. energy: -0.198 local terms energy: -83.841863 where: bonds (distance) C4'-P energy: -15.906 bonds (distance) P-C4' energy: -17.033 flat angles C4'-P-C4' energy: -19.919 flat angles P-C4'-P energy: -9.869 tors. eta vs tors. theta energy: -21.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -145.789948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.789948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.789948 (E_RNA) where: Base-Base interactions energy: -68.902 where: short stacking energy: -68.902 Base-Backbone interact. energy: -0.139 local terms energy: -76.748804 where: bonds (distance) C4'-P energy: -18.265 bonds (distance) P-C4' energy: -19.328 flat angles C4'-P-C4' energy: -13.470 flat angles P-C4'-P energy: -10.575 tors. eta vs tors. theta energy: -15.111 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: 1 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -153.815826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.815826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.815826 (E_RNA) where: Base-Base interactions energy: -85.054 where: short stacking energy: -85.054 Base-Backbone interact. energy: -0.103 local terms energy: -68.658492 where: bonds (distance) C4'-P energy: -15.106 bonds (distance) P-C4' energy: -19.455 flat angles C4'-P-C4' energy: -11.189 flat angles P-C4'-P energy: -7.113 tors. eta vs tors. theta energy: -15.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -140.445719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.445719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.445719 (E_RNA) where: Base-Base interactions energy: -60.769 where: short stacking energy: -60.769 Base-Backbone interact. energy: -0.039 local terms energy: -79.637369 where: bonds (distance) C4'-P energy: -19.429 bonds (distance) P-C4' energy: -16.828 flat angles C4'-P-C4' energy: -16.048 flat angles P-C4'-P energy: -12.189 tors. eta vs tors. theta energy: -15.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -140.224847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.224847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.224847 (E_RNA) where: Base-Base interactions energy: -65.089 where: short stacking energy: -65.089 Base-Backbone interact. energy: -0.820 local terms energy: -74.315978 where: bonds (distance) C4'-P energy: -17.744 bonds (distance) P-C4' energy: -17.056 flat angles C4'-P-C4' energy: -20.846 flat angles P-C4'-P energy: -10.254 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: 10, replica: 5 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -107.270609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.270609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.270609 (E_RNA) where: Base-Base interactions energy: -49.713 where: short stacking energy: -49.713 Base-Backbone interact. energy: 0.575 local terms energy: -58.133053 where: bonds (distance) C4'-P energy: -15.381 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -18.337 flat angles P-C4'-P energy: -7.278 tors. eta vs tors. theta energy: -3.192 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: 1, replica: 7 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -206.078258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.078258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.078258 (E_RNA) where: Base-Base interactions energy: -114.183 where: short stacking energy: -114.183 Base-Backbone interact. energy: -0.101 local terms energy: -91.793856 where: bonds (distance) C4'-P energy: -16.469 bonds (distance) P-C4' energy: -17.906 flat angles C4'-P-C4' energy: -18.867 flat angles P-C4'-P energy: -13.883 tors. eta vs tors. theta energy: -24.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -200.569508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.569508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.569508 (E_RNA) where: Base-Base interactions energy: -112.743 where: short stacking energy: -112.743 Base-Backbone interact. energy: 0.013 local terms energy: -87.839446 where: bonds (distance) C4'-P energy: -17.764 bonds (distance) P-C4' energy: -12.786 flat angles C4'-P-C4' energy: -21.389 flat angles P-C4'-P energy: -9.206 tors. eta vs tors. theta energy: -26.695 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: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -190.042476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.042476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.042476 (E_RNA) where: Base-Base interactions energy: -104.877 where: short stacking energy: -101.524 Base-Backbone interact. energy: -0.246 local terms energy: -84.919180 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -20.094 flat angles C4'-P-C4' energy: -19.834 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -22.752 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: 4, replica: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -175.576678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.576678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.576678 (E_RNA) where: Base-Base interactions energy: -90.695 where: short stacking energy: -90.695 Base-Backbone interact. energy: -0.170 local terms energy: -84.711431 where: bonds (distance) C4'-P energy: -14.644 bonds (distance) P-C4' energy: -19.005 flat angles C4'-P-C4' energy: -21.982 flat angles P-C4'-P energy: -9.449 tors. eta vs tors. theta energy: -19.632 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: 230 Temperature: 1.100000 Total energy: -176.424078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.424078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.424078 (E_RNA) where: Base-Base interactions energy: -90.812 where: short stacking energy: -90.812 Base-Backbone interact. energy: -0.009 local terms energy: -85.603081 where: bonds (distance) C4'-P energy: -16.133 bonds (distance) P-C4' energy: -19.304 flat angles C4'-P-C4' energy: -20.633 flat angles P-C4'-P energy: -8.287 tors. eta vs tors. theta energy: -21.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -169.211348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.211348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.211348 (E_RNA) where: Base-Base interactions energy: -89.700 where: short stacking energy: -89.700 Base-Backbone interact. energy: 1.494 local terms energy: -81.006092 where: bonds (distance) C4'-P energy: -14.031 bonds (distance) P-C4' energy: -14.500 flat angles C4'-P-C4' energy: -19.201 flat angles P-C4'-P energy: -12.197 tors. eta vs tors. theta energy: -21.077 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: -147.882941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.882941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.882941 (E_RNA) where: Base-Base interactions energy: -74.089 where: short stacking energy: -74.089 Base-Backbone interact. energy: -0.015 local terms energy: -73.779389 where: bonds (distance) C4'-P energy: -14.998 bonds (distance) P-C4' energy: -16.238 flat angles C4'-P-C4' energy: -16.474 flat angles P-C4'-P energy: -11.883 tors. eta vs tors. theta energy: -14.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -121.368930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.368930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.368930 (E_RNA) where: Base-Base interactions energy: -52.103 where: short stacking energy: -50.834 Base-Backbone interact. energy: -0.256 local terms energy: -69.009556 where: bonds (distance) C4'-P energy: -16.163 bonds (distance) P-C4' energy: -15.372 flat angles C4'-P-C4' energy: -19.500 flat angles P-C4'-P energy: -8.023 tors. eta vs tors. theta energy: -9.951 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: 5 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -104.831909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.831909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.831909 (E_RNA) where: Base-Base interactions energy: -48.615 where: short stacking energy: -47.337 Base-Backbone interact. energy: -0.084 local terms energy: -56.133565 where: bonds (distance) C4'-P energy: -16.529 bonds (distance) P-C4' energy: -13.186 flat angles C4'-P-C4' energy: -12.473 flat angles P-C4'-P energy: -8.693 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: 10, replica: 6 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -111.701580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.701580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.701580 (E_RNA) where: Base-Base interactions energy: -62.513 where: short stacking energy: -62.513 Base-Backbone interact. energy: -0.540 local terms energy: -48.647797 where: bonds (distance) C4'-P energy: -14.362 bonds (distance) P-C4' energy: -6.431 flat angles C4'-P-C4' energy: -9.133 flat angles P-C4'-P energy: -9.362 tors. eta vs tors. theta energy: -9.360 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: 7 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -207.566829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.566829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.566829 (E_RNA) where: Base-Base interactions energy: -115.601 where: short stacking energy: -115.601 Base-Backbone interact. energy: -0.116 local terms energy: -91.848943 where: bonds (distance) C4'-P energy: -16.587 bonds (distance) P-C4' energy: -17.434 flat angles C4'-P-C4' energy: -19.847 flat angles P-C4'-P energy: -11.513 tors. eta vs tors. theta energy: -26.468 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: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -215.782122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.782122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.782122 (E_RNA) where: Base-Base interactions energy: -115.963 where: short stacking energy: -115.963 Base-Backbone interact. energy: -0.000 local terms energy: -99.818296 where: bonds (distance) C4'-P energy: -21.854 bonds (distance) P-C4' energy: -17.047 flat angles C4'-P-C4' energy: -20.535 flat angles P-C4'-P energy: -13.279 tors. eta vs tors. theta energy: -27.103 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: 10 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -188.553983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.553983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.553983 (E_RNA) where: Base-Base interactions energy: -98.461 where: short stacking energy: -98.461 Base-Backbone interact. energy: -0.138 local terms energy: -89.955182 where: bonds (distance) C4'-P energy: -13.287 bonds (distance) P-C4' energy: -20.718 flat angles C4'-P-C4' energy: -20.750 flat angles P-C4'-P energy: -12.466 tors. eta vs tors. theta energy: -22.735 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: 4, replica: 2 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -169.430739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.430739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.430739 (E_RNA) where: Base-Base interactions energy: -88.521 where: short stacking energy: -88.407 Base-Backbone interact. energy: -0.121 local terms energy: -80.789351 where: bonds (distance) C4'-P energy: -18.803 bonds (distance) P-C4' energy: -11.935 flat angles C4'-P-C4' energy: -17.491 flat angles P-C4'-P energy: -12.161 tors. eta vs tors. theta energy: -20.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -160.221225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.221225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.221225 (E_RNA) where: Base-Base interactions energy: -82.670 where: short stacking energy: -82.436 Base-Backbone interact. energy: -0.466 local terms energy: -77.085324 where: bonds (distance) C4'-P energy: -11.137 bonds (distance) P-C4' energy: -19.463 flat angles C4'-P-C4' energy: -18.799 flat angles P-C4'-P energy: -12.510 tors. eta vs tors. theta energy: -15.176 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: 231 Temperature: 1.150000 Total energy: -153.888974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.888974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.888974 (E_RNA) where: Base-Base interactions energy: -84.585 where: short stacking energy: -84.585 Base-Backbone interact. energy: -0.103 local terms energy: -69.201089 where: bonds (distance) C4'-P energy: -18.021 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -17.394 flat angles P-C4'-P energy: -2.187 tors. eta vs tors. theta energy: -17.454 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: 1 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -152.268872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.268872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.268872 (E_RNA) where: Base-Base interactions energy: -73.734 where: short stacking energy: -73.734 Base-Backbone interact. energy: -0.037 local terms energy: -78.498551 where: bonds (distance) C4'-P energy: -15.576 bonds (distance) P-C4' energy: -18.021 flat angles C4'-P-C4' energy: -17.989 flat angles P-C4'-P energy: -12.746 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: 8, replica: 5 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -147.836188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.836188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.836188 (E_RNA) where: Base-Base interactions energy: -78.880 where: short stacking energy: -78.880 Base-Backbone interact. energy: -0.007 local terms energy: -68.948373 where: bonds (distance) C4'-P energy: -14.832 bonds (distance) P-C4' energy: -16.825 flat angles C4'-P-C4' energy: -14.328 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -14.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -121.931763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.931763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.931763 (E_RNA) where: Base-Base interactions energy: -62.180 where: short stacking energy: -62.180 Base-Backbone interact. energy: 0.291 local terms energy: -60.043167 where: bonds (distance) C4'-P energy: -18.952 bonds (distance) P-C4' energy: -10.755 flat angles C4'-P-C4' energy: -18.574 flat angles P-C4'-P energy: -7.758 tors. eta vs tors. theta energy: -4.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -125.206359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.206359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.206359 (E_RNA) where: Base-Base interactions energy: -61.556 where: short stacking energy: -58.498 Base-Backbone interact. energy: 0.735 local terms energy: -64.385810 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -13.345 flat angles C4'-P-C4' energy: -18.342 flat angles P-C4'-P energy: -10.583 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: 1, replica: 9 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -224.679089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.679089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.679089 (E_RNA) where: Base-Base interactions energy: -121.460 where: short stacking energy: -121.460 Base-Backbone interact. energy: -0.000 local terms energy: -103.219274 where: bonds (distance) C4'-P energy: -20.489 bonds (distance) P-C4' energy: -20.271 flat angles C4'-P-C4' energy: -20.254 flat angles P-C4'-P energy: -13.128 tors. eta vs tors. theta energy: -29.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -188.890224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.890224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.890224 (E_RNA) where: Base-Base interactions energy: -101.332 where: short stacking energy: -101.332 Base-Backbone interact. energy: -0.067 local terms energy: -87.491180 where: bonds (distance) C4'-P energy: -14.093 bonds (distance) P-C4' energy: -19.228 flat angles C4'-P-C4' energy: -18.954 flat angles P-C4'-P energy: -13.917 tors. eta vs tors. theta energy: -21.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -192.975197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.975197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.975197 (E_RNA) where: Base-Base interactions energy: -106.004 where: short stacking energy: -106.004 Base-Backbone interact. energy: -0.223 local terms energy: -86.748059 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -18.538 flat angles C4'-P-C4' energy: -18.375 flat angles P-C4'-P energy: -12.087 tors. eta vs tors. theta energy: -25.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -157.954348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.954348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.954348 (E_RNA) where: Base-Base interactions energy: -81.940 where: short stacking energy: -81.940 Base-Backbone interact. energy: 0.149 local terms energy: -76.163036 where: bonds (distance) C4'-P energy: -11.927 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -20.968 flat angles P-C4'-P energy: -14.511 tors. eta vs tors. theta energy: -13.026 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: 8 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -158.368794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.368794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.368794 (E_RNA) where: Base-Base interactions energy: -76.462 where: short stacking energy: -76.461 Base-Backbone interact. energy: -0.036 local terms energy: -81.870488 where: bonds (distance) C4'-P energy: -22.289 bonds (distance) P-C4' energy: -16.645 flat angles C4'-P-C4' energy: -19.698 flat angles P-C4'-P energy: -8.396 tors. eta vs tors. theta energy: -14.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -149.099252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.099252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.099252 (E_RNA) where: Base-Base interactions energy: -82.610 where: short stacking energy: -82.610 Base-Backbone interact. energy: -0.278 local terms energy: -66.210919 where: bonds (distance) C4'-P energy: -12.788 bonds (distance) P-C4' energy: -16.226 flat angles C4'-P-C4' energy: -19.890 flat angles P-C4'-P energy: -2.106 tors. eta vs tors. theta energy: -15.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -138.540011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.540011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.540011 (E_RNA) where: Base-Base interactions energy: -68.941 where: short stacking energy: -68.941 Base-Backbone interact. energy: -0.053 local terms energy: -69.546669 where: bonds (distance) C4'-P energy: -16.627 bonds (distance) P-C4' energy: -14.619 flat angles C4'-P-C4' energy: -18.757 flat angles P-C4'-P energy: -12.474 tors. eta vs tors. theta energy: -7.069 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: 1 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -130.210134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.210134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.210134 (E_RNA) where: Base-Base interactions energy: -66.516 where: short stacking energy: -68.216 Base-Backbone interact. energy: -0.107 local terms energy: -63.587454 where: bonds (distance) C4'-P energy: -12.942 bonds (distance) P-C4' energy: -14.796 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -9.859 tors. eta vs tors. theta energy: -12.794 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: 6 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -122.094827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.094827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.094827 (E_RNA) where: Base-Base interactions energy: -53.975 where: short stacking energy: -53.290 Base-Backbone interact. energy: -0.912 local terms energy: -67.208015 where: bonds (distance) C4'-P energy: -11.832 bonds (distance) P-C4' energy: -15.808 flat angles C4'-P-C4' energy: -18.366 flat angles P-C4'-P energy: -11.779 tors. eta vs tors. theta energy: -9.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -99.936695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.936695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.936695 (E_RNA) where: Base-Base interactions energy: -44.254 where: short stacking energy: -41.850 Base-Backbone interact. energy: 1.114 local terms energy: -56.796429 where: bonds (distance) C4'-P energy: -16.683 bonds (distance) P-C4' energy: -20.271 flat angles C4'-P-C4' energy: -9.791 flat angles P-C4'-P energy: -9.691 tors. eta vs tors. theta energy: -0.360 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: 9 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -228.656349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.656349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.656349 (E_RNA) where: Base-Base interactions energy: -129.129 where: short stacking energy: -129.129 Base-Backbone interact. energy: -0.000 local terms energy: -99.526687 where: bonds (distance) C4'-P energy: -15.061 bonds (distance) P-C4' energy: -18.817 flat angles C4'-P-C4' energy: -22.613 flat angles P-C4'-P energy: -11.382 tors. eta vs tors. theta energy: -31.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -205.739481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.739481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.739481 (E_RNA) where: Base-Base interactions energy: -116.968 where: short stacking energy: -116.968 Base-Backbone interact. energy: -0.000 local terms energy: -88.771068 where: bonds (distance) C4'-P energy: -15.532 bonds (distance) P-C4' energy: -17.814 flat angles C4'-P-C4' energy: -18.155 flat angles P-C4'-P energy: -9.251 tors. eta vs tors. theta energy: -28.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -178.200571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.200571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.200571 (E_RNA) where: Base-Base interactions energy: -92.227 where: short stacking energy: -91.331 Base-Backbone interact. energy: -0.012 local terms energy: -85.961130 where: bonds (distance) C4'-P energy: -16.444 bonds (distance) P-C4' energy: -20.097 flat angles C4'-P-C4' energy: -20.201 flat angles P-C4'-P energy: -10.458 tors. eta vs tors. theta energy: -18.761 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: 10 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -170.218290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.218290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.218290 (E_RNA) where: Base-Base interactions energy: -83.022 where: short stacking energy: -81.962 Base-Backbone interact. energy: -0.071 local terms energy: -87.125525 where: bonds (distance) C4'-P energy: -17.876 bonds (distance) P-C4' energy: -20.847 flat angles C4'-P-C4' energy: -15.576 flat angles P-C4'-P energy: -12.471 tors. eta vs tors. theta energy: -20.356 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: 233 Temperature: 1.100000 Total energy: -154.832680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.832680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.832680 (E_RNA) where: Base-Base interactions energy: -77.014 where: short stacking energy: -77.014 Base-Backbone interact. energy: -0.132 local terms energy: -77.687156 where: bonds (distance) C4'-P energy: -14.497 bonds (distance) P-C4' energy: -18.541 flat angles C4'-P-C4' energy: -18.541 flat angles P-C4'-P energy: -11.493 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: 6, replica: 5 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -156.057503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.057503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.057503 (E_RNA) where: Base-Base interactions energy: -82.455 where: short stacking energy: -82.455 Base-Backbone interact. energy: -0.488 local terms energy: -73.114357 where: bonds (distance) C4'-P energy: -15.624 bonds (distance) P-C4' energy: -16.496 flat angles C4'-P-C4' energy: -15.205 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -15.672 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: 233 Temperature: 1.200000 Total energy: -142.685357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.685357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.685357 (E_RNA) where: Base-Base interactions energy: -66.099 where: short stacking energy: -66.099 Base-Backbone interact. energy: -0.047 local terms energy: -76.539175 where: bonds (distance) C4'-P energy: -19.097 bonds (distance) P-C4' energy: -19.733 flat angles C4'-P-C4' energy: -15.296 flat angles P-C4'-P energy: -9.473 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: 8, replica: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -141.470314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.470314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.470314 (E_RNA) where: Base-Base interactions energy: -71.785 where: short stacking energy: -69.519 Base-Backbone interact. energy: 0.575 local terms energy: -70.260164 where: bonds (distance) C4'-P energy: -17.011 bonds (distance) P-C4' energy: -16.373 flat angles C4'-P-C4' energy: -10.212 flat angles P-C4'-P energy: -10.113 tors. eta vs tors. theta energy: -16.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -111.971751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.971751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.971751 (E_RNA) where: Base-Base interactions energy: -50.716 where: short stacking energy: -50.716 Base-Backbone interact. energy: 0.489 local terms energy: -61.744445 where: bonds (distance) C4'-P energy: -18.559 bonds (distance) P-C4' energy: -14.611 flat angles C4'-P-C4' energy: -14.157 flat angles P-C4'-P energy: -8.966 tors. eta vs tors. theta energy: -5.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -103.867213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.867213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.867213 (E_RNA) where: Base-Base interactions energy: -45.776 where: short stacking energy: -45.776 Base-Backbone interact. energy: -0.937 local terms energy: -57.154064 where: bonds (distance) C4'-P energy: -16.866 bonds (distance) P-C4' energy: -10.682 flat angles C4'-P-C4' energy: -18.382 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -2.225 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: 9 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -217.060184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.060184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.060184 (E_RNA) where: Base-Base interactions energy: -116.385 where: short stacking energy: -116.385 Base-Backbone interact. energy: -0.004 local terms energy: -100.670583 where: bonds (distance) C4'-P energy: -19.353 bonds (distance) P-C4' energy: -20.338 flat angles C4'-P-C4' energy: -20.410 flat angles P-C4'-P energy: -11.197 tors. eta vs tors. theta energy: -29.373 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: 234 Temperature: 0.950000 Total energy: -211.969417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.969417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.969417 (E_RNA) where: Base-Base interactions energy: -115.282 where: short stacking energy: -115.282 Base-Backbone interact. energy: -0.010 local terms energy: -96.677339 where: bonds (distance) C4'-P energy: -15.983 bonds (distance) P-C4' energy: -21.740 flat angles C4'-P-C4' energy: -21.425 flat angles P-C4'-P energy: -12.407 tors. eta vs tors. theta energy: -25.123 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: 2 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -180.755744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.755744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.755744 (E_RNA) where: Base-Base interactions energy: -96.187 where: short stacking energy: -96.187 Base-Backbone interact. energy: -0.072 local terms energy: -84.495938 where: bonds (distance) C4'-P energy: -17.669 bonds (distance) P-C4' energy: -20.129 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -12.997 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: 4, replica: 10 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -190.310000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.310000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.310000 (E_RNA) where: Base-Base interactions energy: -101.029 where: short stacking energy: -98.797 Base-Backbone interact. energy: -0.030 local terms energy: -89.250869 where: bonds (distance) C4'-P energy: -18.817 bonds (distance) P-C4' energy: -16.912 flat angles C4'-P-C4' energy: -19.202 flat angles P-C4'-P energy: -13.957 tors. eta vs tors. theta energy: -20.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -154.038062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.038062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.038062 (E_RNA) where: Base-Base interactions energy: -69.857 where: short stacking energy: -69.947 Base-Backbone interact. energy: -0.094 local terms energy: -84.086766 where: bonds (distance) C4'-P energy: -17.314 bonds (distance) P-C4' energy: -20.356 flat angles C4'-P-C4' energy: -17.445 flat angles P-C4'-P energy: -10.976 tors. eta vs tors. theta energy: -17.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -165.177768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.177768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.177768 (E_RNA) where: Base-Base interactions energy: -89.209 where: short stacking energy: -89.209 Base-Backbone interact. energy: -0.107 local terms energy: -75.862226 where: bonds (distance) C4'-P energy: -13.612 bonds (distance) P-C4' energy: -18.383 flat angles C4'-P-C4' energy: -19.196 flat angles P-C4'-P energy: -7.348 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: 7, replica: 1 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -145.633840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.633840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.633840 (E_RNA) where: Base-Base interactions energy: -74.269 where: short stacking energy: -74.269 Base-Backbone interact. energy: -0.756 local terms energy: -70.609239 where: bonds (distance) C4'-P energy: -11.306 bonds (distance) P-C4' energy: -18.333 flat angles C4'-P-C4' energy: -16.148 flat angles P-C4'-P energy: -11.728 tors. eta vs tors. theta energy: -13.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -129.129306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.129306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.129306 (E_RNA) where: Base-Base interactions energy: -65.277 where: short stacking energy: -62.502 Base-Backbone interact. energy: 1.505 local terms energy: -65.357270 where: bonds (distance) C4'-P energy: -9.773 bonds (distance) P-C4' energy: -15.716 flat angles C4'-P-C4' energy: -17.549 flat angles P-C4'-P energy: -10.644 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: 9, replica: 3 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -126.734039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.734039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.734039 (E_RNA) where: Base-Base interactions energy: -55.483 where: short stacking energy: -55.483 Base-Backbone interact. energy: 0.204 local terms energy: -71.454972 where: bonds (distance) C4'-P energy: -17.582 bonds (distance) P-C4' energy: -19.139 flat angles C4'-P-C4' energy: -14.162 flat angles P-C4'-P energy: -10.752 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: 10, replica: 6 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -119.262581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.262581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.262581 (E_RNA) where: Base-Base interactions energy: -61.595 where: short stacking energy: -61.595 Base-Backbone interact. energy: 0.346 local terms energy: -58.014099 where: bonds (distance) C4'-P energy: -13.162 bonds (distance) P-C4' energy: -15.703 flat angles C4'-P-C4' energy: -16.035 flat angles P-C4'-P energy: -1.755 tors. eta vs tors. theta energy: -11.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -212.106971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.106971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.106971 (E_RNA) where: Base-Base interactions energy: -117.484 where: short stacking energy: -117.484 Base-Backbone interact. energy: -0.000 local terms energy: -94.622845 where: bonds (distance) C4'-P energy: -15.558 bonds (distance) P-C4' energy: -17.435 flat angles C4'-P-C4' energy: -19.213 flat angles P-C4'-P energy: -14.926 tors. eta vs tors. theta energy: -27.491 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: 7 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -199.734317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.734317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.734317 (E_RNA) where: Base-Base interactions energy: -108.777 where: short stacking energy: -108.777 Base-Backbone interact. energy: -0.000 local terms energy: -90.957717 where: bonds (distance) C4'-P energy: -20.721 bonds (distance) P-C4' energy: -16.621 flat angles C4'-P-C4' energy: -16.993 flat angles P-C4'-P energy: -14.145 tors. eta vs tors. theta energy: -22.479 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: 2 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -187.790845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.790845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.790845 (E_RNA) where: Base-Base interactions energy: -103.671 where: short stacking energy: -103.671 Base-Backbone interact. energy: -0.030 local terms energy: -84.090546 where: bonds (distance) C4'-P energy: -15.843 bonds (distance) P-C4' energy: -18.434 flat angles C4'-P-C4' energy: -17.525 flat angles P-C4'-P energy: -9.204 tors. eta vs tors. theta energy: -23.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -178.359744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.359744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.359744 (E_RNA) where: Base-Base interactions energy: -89.105 where: short stacking energy: -89.105 Base-Backbone interact. energy: -0.001 local terms energy: -89.253830 where: bonds (distance) C4'-P energy: -15.780 bonds (distance) P-C4' energy: -21.253 flat angles C4'-P-C4' energy: -22.316 flat angles P-C4'-P energy: -8.866 tors. eta vs tors. theta energy: -21.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -171.120804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.120804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.120804 (E_RNA) where: Base-Base interactions energy: -83.925 where: short stacking energy: -83.925 Base-Backbone interact. energy: -0.010 local terms energy: -87.186569 where: bonds (distance) C4'-P energy: -16.882 bonds (distance) P-C4' energy: -18.819 flat angles C4'-P-C4' energy: -22.048 flat angles P-C4'-P energy: -9.852 tors. eta vs tors. theta energy: -19.586 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: 235 Temperature: 1.150000 Total energy: -149.971597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.971597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.971597 (E_RNA) where: Base-Base interactions energy: -71.679 where: short stacking energy: -71.679 Base-Backbone interact. energy: -0.057 local terms energy: -78.234821 where: bonds (distance) C4'-P energy: -16.507 bonds (distance) P-C4' energy: -14.527 flat angles C4'-P-C4' energy: -14.598 flat angles P-C4'-P energy: -17.318 tors. eta vs tors. theta energy: -15.285 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: 1 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -140.307212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.307212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.307212 (E_RNA) where: Base-Base interactions energy: -64.709 where: short stacking energy: -64.709 Base-Backbone interact. energy: -0.499 local terms energy: -75.099222 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -21.206 flat angles C4'-P-C4' energy: -20.977 flat angles P-C4'-P energy: -13.356 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: 235 Temperature: 1.250000 Total energy: -122.704836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.704836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.704836 (E_RNA) where: Base-Base interactions energy: -56.041 where: short stacking energy: -56.041 Base-Backbone interact. energy: -0.118 local terms energy: -66.546341 where: bonds (distance) C4'-P energy: -12.267 bonds (distance) P-C4' energy: -20.140 flat angles C4'-P-C4' energy: -16.209 flat angles P-C4'-P energy: -9.536 tors. eta vs tors. theta energy: -8.394 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: 235 Temperature: 1.300000 Total energy: -123.189731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.189731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.189731 (E_RNA) where: Base-Base interactions energy: -57.241 where: short stacking energy: -56.256 Base-Backbone interact. energy: -0.115 local terms energy: -65.833573 where: bonds (distance) C4'-P energy: -14.979 bonds (distance) P-C4' energy: -13.407 flat angles C4'-P-C4' energy: -20.358 flat angles P-C4'-P energy: -7.467 tors. eta vs tors. theta energy: -9.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -119.130380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.130380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.130380 (E_RNA) where: Base-Base interactions energy: -53.067 where: short stacking energy: -53.067 Base-Backbone interact. energy: -0.143 local terms energy: -65.921074 where: bonds (distance) C4'-P energy: -18.725 bonds (distance) P-C4' energy: -14.958 flat angles C4'-P-C4' energy: -17.340 flat angles P-C4'-P energy: -11.903 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -227.169943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.169943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.169943 (E_RNA) where: Base-Base interactions energy: -124.186 where: short stacking energy: -124.186 Base-Backbone interact. energy: -0.001 local terms energy: -102.982429 where: bonds (distance) C4'-P energy: -16.151 bonds (distance) P-C4' energy: -21.271 flat angles C4'-P-C4' energy: -19.426 flat angles P-C4'-P energy: -15.824 tors. eta vs tors. theta energy: -30.311 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: 7 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -189.244724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.244724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.244724 (E_RNA) where: Base-Base interactions energy: -103.414 where: short stacking energy: -103.414 Base-Backbone interact. energy: -0.003 local terms energy: -85.828562 where: bonds (distance) C4'-P energy: -18.878 bonds (distance) P-C4' energy: -18.342 flat angles C4'-P-C4' energy: -18.741 flat angles P-C4'-P energy: -11.089 tors. eta vs tors. theta energy: -18.778 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: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -182.944930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.944930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.944930 (E_RNA) where: Base-Base interactions energy: -100.375 where: short stacking energy: -99.899 Base-Backbone interact. energy: -0.995 local terms energy: -81.574903 where: bonds (distance) C4'-P energy: -17.441 bonds (distance) P-C4' energy: -14.736 flat angles C4'-P-C4' energy: -14.416 flat angles P-C4'-P energy: -14.899 tors. eta vs tors. theta energy: -20.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -173.351697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.351697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.351697 (E_RNA) where: Base-Base interactions energy: -88.512 where: short stacking energy: -88.512 Base-Backbone interact. energy: 0.796 local terms energy: -85.635578 where: bonds (distance) C4'-P energy: -15.749 bonds (distance) P-C4' energy: -20.609 flat angles C4'-P-C4' energy: -18.162 flat angles P-C4'-P energy: -13.611 tors. eta vs tors. theta energy: -17.505 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: 8 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -166.030961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.030961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.030961 (E_RNA) where: Base-Base interactions energy: -86.384 where: short stacking energy: -86.384 Base-Backbone interact. energy: 0.109 local terms energy: -79.756016 where: bonds (distance) C4'-P energy: -16.059 bonds (distance) P-C4' energy: -17.465 flat angles C4'-P-C4' energy: -20.364 flat angles P-C4'-P energy: -9.734 tors. eta vs tors. theta energy: -16.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -159.709538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.709538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.709538 (E_RNA) where: Base-Base interactions energy: -75.812 where: short stacking energy: -75.812 Base-Backbone interact. energy: -0.208 local terms energy: -83.689209 where: bonds (distance) C4'-P energy: -18.141 bonds (distance) P-C4' energy: -18.237 flat angles C4'-P-C4' energy: -18.411 flat angles P-C4'-P energy: -8.406 tors. eta vs tors. theta energy: -20.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -143.735129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.735129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.735129 (E_RNA) where: Base-Base interactions energy: -83.943 where: short stacking energy: -79.402 Base-Backbone interact. energy: -0.053 local terms energy: -59.739722 where: bonds (distance) C4'-P energy: -17.632 bonds (distance) P-C4' energy: -16.504 flat angles C4'-P-C4' energy: -8.833 flat angles P-C4'-P energy: -2.346 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: 8, replica: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -138.509458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.509458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.509458 (E_RNA) where: Base-Base interactions energy: -66.548 where: short stacking energy: -66.548 Base-Backbone interact. energy: 0.156 local terms energy: -72.117351 where: bonds (distance) C4'-P energy: -13.803 bonds (distance) P-C4' energy: -19.256 flat angles C4'-P-C4' energy: -14.782 flat angles P-C4'-P energy: -14.285 tors. eta vs tors. theta energy: -9.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -119.924370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.924370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.924370 (E_RNA) where: Base-Base interactions energy: -50.947 where: short stacking energy: -49.987 Base-Backbone interact. energy: -0.185 local terms energy: -68.792712 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -19.545 flat angles C4'-P-C4' energy: -13.614 flat angles P-C4'-P energy: -11.676 tors. eta vs tors. theta energy: -11.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -112.764312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.764312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.764312 (E_RNA) where: Base-Base interactions energy: -47.595 where: short stacking energy: -47.436 Base-Backbone interact. energy: -0.258 local terms energy: -64.910402 where: bonds (distance) C4'-P energy: -20.335 bonds (distance) P-C4' energy: -18.175 flat angles C4'-P-C4' energy: -9.271 flat angles P-C4'-P energy: -14.609 tors. eta vs tors. theta energy: -2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -236.487735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.487735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.487735 (E_RNA) where: Base-Base interactions energy: -130.508 where: short stacking energy: -130.508 Base-Backbone interact. energy: -0.000 local terms energy: -105.979870 where: bonds (distance) C4'-P energy: -16.383 bonds (distance) P-C4' energy: -20.654 flat angles C4'-P-C4' energy: -22.342 flat angles P-C4'-P energy: -17.524 tors. eta vs tors. theta energy: -29.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -197.973909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.973909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.973909 (E_RNA) where: Base-Base interactions energy: -102.617 where: short stacking energy: -102.617 Base-Backbone interact. energy: -0.005 local terms energy: -95.352044 where: bonds (distance) C4'-P energy: -19.242 bonds (distance) P-C4' energy: -21.715 flat angles C4'-P-C4' energy: -20.758 flat angles P-C4'-P energy: -10.711 tors. eta vs tors. theta energy: -22.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -200.553140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.553140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.553140 (E_RNA) where: Base-Base interactions energy: -101.032 where: short stacking energy: -101.032 Base-Backbone interact. energy: -0.001 local terms energy: -99.520196 where: bonds (distance) C4'-P energy: -17.322 bonds (distance) P-C4' energy: -21.890 flat angles C4'-P-C4' energy: -20.916 flat angles P-C4'-P energy: -13.349 tors. eta vs tors. theta energy: -26.042 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: 2 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -170.106994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.106994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.106994 (E_RNA) where: Base-Base interactions energy: -92.473 where: short stacking energy: -92.473 Base-Backbone interact. energy: -1.052 local terms energy: -76.582619 where: bonds (distance) C4'-P energy: -14.849 bonds (distance) P-C4' energy: -18.626 flat angles C4'-P-C4' energy: -20.362 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -14.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -159.329375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.329375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.329375 (E_RNA) where: Base-Base interactions energy: -80.348 where: short stacking energy: -80.348 Base-Backbone interact. energy: -0.070 local terms energy: -78.910626 where: bonds (distance) C4'-P energy: -15.616 bonds (distance) P-C4' energy: -19.868 flat angles C4'-P-C4' energy: -14.245 flat angles P-C4'-P energy: -10.214 tors. eta vs tors. theta energy: -18.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -139.401682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.401682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.401682 (E_RNA) where: Base-Base interactions energy: -69.104 where: short stacking energy: -69.104 Base-Backbone interact. energy: -0.460 local terms energy: -69.836915 where: bonds (distance) C4'-P energy: -14.252 bonds (distance) P-C4' energy: -17.523 flat angles C4'-P-C4' energy: -14.233 flat angles P-C4'-P energy: -11.528 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: 7, replica: 10 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -149.613495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.613495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.613495 (E_RNA) where: Base-Base interactions energy: -77.929 where: short stacking energy: -77.929 Base-Backbone interact. energy: -0.199 local terms energy: -71.485580 where: bonds (distance) C4'-P energy: -16.085 bonds (distance) P-C4' energy: -19.337 flat angles C4'-P-C4' energy: -16.834 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -14.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -139.087019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.087019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.087019 (E_RNA) where: Base-Base interactions energy: -71.383 where: short stacking energy: -71.383 Base-Backbone interact. energy: -0.061 local terms energy: -67.642765 where: bonds (distance) C4'-P energy: -14.970 bonds (distance) P-C4' energy: -18.549 flat angles C4'-P-C4' energy: -12.886 flat angles P-C4'-P energy: -6.854 tors. eta vs tors. theta energy: -14.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -122.675906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.675906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.675906 (E_RNA) where: Base-Base interactions energy: -55.307 where: short stacking energy: -54.450 Base-Backbone interact. energy: -2.378 local terms energy: -64.990939 where: bonds (distance) C4'-P energy: -15.656 bonds (distance) P-C4' energy: -20.384 flat angles C4'-P-C4' energy: -15.014 flat angles P-C4'-P energy: -6.362 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: 10, replica: 3 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -116.601897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.601897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.601897 (E_RNA) where: Base-Base interactions energy: -51.189 where: short stacking energy: -50.810 Base-Backbone interact. energy: -0.192 local terms energy: -65.220914 where: bonds (distance) C4'-P energy: -8.026 bonds (distance) P-C4' energy: -21.300 flat angles C4'-P-C4' energy: -18.280 flat angles P-C4'-P energy: -10.262 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: 1, replica: 9 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -231.585385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.585385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.585385 (E_RNA) where: Base-Base interactions energy: -124.202 where: short stacking energy: -124.654 Base-Backbone interact. energy: -1.016 local terms energy: -106.367918 where: bonds (distance) C4'-P energy: -17.052 bonds (distance) P-C4' energy: -20.415 flat angles C4'-P-C4' energy: -22.558 flat angles P-C4'-P energy: -16.606 tors. eta vs tors. theta energy: -29.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -213.582472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.582472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.582472 (E_RNA) where: Base-Base interactions energy: -112.152 where: short stacking energy: -112.152 Base-Backbone interact. energy: -0.000 local terms energy: -101.430219 where: bonds (distance) C4'-P energy: -19.921 bonds (distance) P-C4' energy: -22.334 flat angles C4'-P-C4' energy: -19.271 flat angles P-C4'-P energy: -15.608 tors. eta vs tors. theta energy: -24.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -187.765690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.765690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.765690 (E_RNA) where: Base-Base interactions energy: -94.290 where: short stacking energy: -94.290 Base-Backbone interact. energy: -0.047 local terms energy: -93.428405 where: bonds (distance) C4'-P energy: -21.150 bonds (distance) P-C4' energy: -20.588 flat angles C4'-P-C4' energy: -18.402 flat angles P-C4'-P energy: -13.092 tors. eta vs tors. theta energy: -20.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -175.530156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.530156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.530156 (E_RNA) where: Base-Base interactions energy: -83.109 where: short stacking energy: -82.836 Base-Backbone interact. energy: -0.174 local terms energy: -92.246948 where: bonds (distance) C4'-P energy: -17.540 bonds (distance) P-C4' energy: -18.370 flat angles C4'-P-C4' energy: -20.281 flat angles P-C4'-P energy: -16.144 tors. eta vs tors. theta energy: -19.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -160.699993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.699993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.699993 (E_RNA) where: Base-Base interactions energy: -82.922 where: short stacking energy: -77.092 Base-Backbone interact. energy: -0.513 local terms energy: -77.265518 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -16.755 flat angles C4'-P-C4' energy: -21.370 flat angles P-C4'-P energy: -11.419 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: 6, replica: 4 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -153.171483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.171483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.171483 (E_RNA) where: Base-Base interactions energy: -84.255 where: short stacking energy: -84.255 Base-Backbone interact. energy: -0.654 local terms energy: -68.262805 where: bonds (distance) C4'-P energy: -12.796 bonds (distance) P-C4' energy: -19.023 flat angles C4'-P-C4' energy: -12.758 flat angles P-C4'-P energy: -8.826 tors. eta vs tors. theta energy: -14.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -161.388369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.388369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.388369 (E_RNA) where: Base-Base interactions energy: -83.377 where: short stacking energy: -83.377 Base-Backbone interact. energy: -0.039 local terms energy: -77.971814 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -18.098 flat angles C4'-P-C4' energy: -20.113 flat angles P-C4'-P energy: -12.328 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: 8, replica: 10 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -121.116193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.116193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.116193 (E_RNA) where: Base-Base interactions energy: -53.846 where: short stacking energy: -53.846 Base-Backbone interact. energy: -0.114 local terms energy: -67.156319 where: bonds (distance) C4'-P energy: -17.964 bonds (distance) P-C4' energy: -19.362 flat angles C4'-P-C4' energy: -16.101 flat angles P-C4'-P energy: -8.480 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: 9, replica: 3 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -107.884607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.884607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.884607 (E_RNA) where: Base-Base interactions energy: -53.525 where: short stacking energy: -51.870 Base-Backbone interact. energy: -0.324 local terms energy: -54.035602 where: bonds (distance) C4'-P energy: -9.940 bonds (distance) P-C4' energy: -16.705 flat angles C4'-P-C4' energy: -11.054 flat angles P-C4'-P energy: -10.822 tors. eta vs tors. theta energy: -5.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -106.079081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.079081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.079081 (E_RNA) where: Base-Base interactions energy: -49.115 where: short stacking energy: -49.017 Base-Backbone interact. energy: -1.379 local terms energy: -55.584409 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -12.771 flat angles C4'-P-C4' energy: -17.574 flat angles P-C4'-P energy: -9.961 tors. eta vs tors. theta energy: -8.610 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: 1, replica: 9 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -223.138821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.138821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.138821 (E_RNA) where: Base-Base interactions energy: -123.178 where: short stacking energy: -123.178 Base-Backbone interact. energy: -0.004 local terms energy: -99.956426 where: bonds (distance) C4'-P energy: -20.090 bonds (distance) P-C4' energy: -15.627 flat angles C4'-P-C4' energy: -20.129 flat angles P-C4'-P energy: -16.575 tors. eta vs tors. theta energy: -27.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -202.291865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.291865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.291865 (E_RNA) where: Base-Base interactions energy: -108.291 where: short stacking energy: -108.291 Base-Backbone interact. energy: -0.001 local terms energy: -94.000041 where: bonds (distance) C4'-P energy: -20.021 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -21.351 flat angles P-C4'-P energy: -12.158 tors. eta vs tors. theta energy: -24.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -184.525871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.525871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.525871 (E_RNA) where: Base-Base interactions energy: -100.235 where: short stacking energy: -100.235 Base-Backbone interact. energy: -0.000 local terms energy: -84.289969 where: bonds (distance) C4'-P energy: -16.817 bonds (distance) P-C4' energy: -18.782 flat angles C4'-P-C4' energy: -16.102 flat angles P-C4'-P energy: -10.494 tors. eta vs tors. theta energy: -22.095 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: 2 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -169.385058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.385058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.385058 (E_RNA) where: Base-Base interactions energy: -77.078 where: short stacking energy: -77.078 Base-Backbone interact. energy: -0.114 local terms energy: -92.192853 where: bonds (distance) C4'-P energy: -21.150 bonds (distance) P-C4' energy: -19.124 flat angles C4'-P-C4' energy: -20.495 flat angles P-C4'-P energy: -12.467 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: 5, replica: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -183.154124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.154124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.154124 (E_RNA) where: Base-Base interactions energy: -93.146 where: short stacking energy: -93.146 Base-Backbone interact. energy: -0.501 local terms energy: -89.507587 where: bonds (distance) C4'-P energy: -13.190 bonds (distance) P-C4' energy: -18.526 flat angles C4'-P-C4' energy: -18.988 flat angles P-C4'-P energy: -15.198 tors. eta vs tors. theta energy: -23.606 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: 6 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -165.523459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.523459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.523459 (E_RNA) where: Base-Base interactions energy: -87.578 where: short stacking energy: -87.578 Base-Backbone interact. energy: 0.316 local terms energy: -78.260858 where: bonds (distance) C4'-P energy: -14.412 bonds (distance) P-C4' energy: -18.329 flat angles C4'-P-C4' energy: -15.183 flat angles P-C4'-P energy: -9.576 tors. eta vs tors. theta energy: -20.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -142.999066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.999066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.999066 (E_RNA) where: Base-Base interactions energy: -69.860 where: short stacking energy: -69.860 Base-Backbone interact. energy: -1.280 local terms energy: -71.859506 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -15.249 flat angles C4'-P-C4' energy: -16.108 flat angles P-C4'-P energy: -10.417 tors. eta vs tors. theta energy: -16.129 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: 239 Temperature: 1.250000 Total energy: -132.872255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.872255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.872255 (E_RNA) where: Base-Base interactions energy: -58.536 where: short stacking energy: -58.533 Base-Backbone interact. energy: -0.183 local terms energy: -74.153596 where: bonds (distance) C4'-P energy: -17.337 bonds (distance) P-C4' energy: -21.436 flat angles C4'-P-C4' energy: -13.131 flat angles P-C4'-P energy: -14.264 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: 3 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -125.046016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.046016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.046016 (E_RNA) where: Base-Base interactions energy: -63.006 where: short stacking energy: -62.876 Base-Backbone interact. energy: -0.274 local terms energy: -61.765520 where: bonds (distance) C4'-P energy: -11.372 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -16.431 flat angles P-C4'-P energy: -7.030 tors. eta vs tors. theta energy: -10.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -111.615666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.615666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.615666 (E_RNA) where: Base-Base interactions energy: -54.229 where: short stacking energy: -54.229 Base-Backbone interact. energy: -0.062 local terms energy: -57.325257 where: bonds (distance) C4'-P energy: -12.879 bonds (distance) P-C4' energy: -13.366 flat angles C4'-P-C4' energy: -17.061 flat angles P-C4'-P energy: -9.178 tors. eta vs tors. theta energy: -4.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -208.936697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.936697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.936697 (E_RNA) where: Base-Base interactions energy: -115.410 where: short stacking energy: -115.410 Base-Backbone interact. energy: -0.000 local terms energy: -93.526252 where: bonds (distance) C4'-P energy: -15.757 bonds (distance) P-C4' energy: -17.141 flat angles C4'-P-C4' energy: -20.317 flat angles P-C4'-P energy: -14.666 tors. eta vs tors. theta energy: -25.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -191.560634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.560634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.560634 (E_RNA) where: Base-Base interactions energy: -101.534 where: short stacking energy: -101.534 Base-Backbone interact. energy: -0.079 local terms energy: -89.947549 where: bonds (distance) C4'-P energy: -17.698 bonds (distance) P-C4' energy: -18.019 flat angles C4'-P-C4' energy: -16.958 flat angles P-C4'-P energy: -14.606 tors. eta vs tors. theta energy: -22.666 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: 2 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -184.680447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.680447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.680447 (E_RNA) where: Base-Base interactions energy: -101.908 where: short stacking energy: -101.908 Base-Backbone interact. energy: -0.015 local terms energy: -82.756660 where: bonds (distance) C4'-P energy: -18.814 bonds (distance) P-C4' energy: -13.309 flat angles C4'-P-C4' energy: -13.361 flat angles P-C4'-P energy: -15.088 tors. eta vs tors. theta energy: -22.185 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: 240 Temperature: 1.050000 Total energy: -169.631428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.631428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.631428 (E_RNA) where: Base-Base interactions energy: -93.259 where: short stacking energy: -93.259 Base-Backbone interact. energy: -0.107 local terms energy: -76.265915 where: bonds (distance) C4'-P energy: -16.654 bonds (distance) P-C4' energy: -20.344 flat angles C4'-P-C4' energy: -11.037 flat angles P-C4'-P energy: -12.767 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: 5, replica: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -170.063085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.063085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.063085 (E_RNA) where: Base-Base interactions energy: -91.843 where: short stacking energy: -91.843 Base-Backbone interact. energy: -0.748 local terms energy: -77.472866 where: bonds (distance) C4'-P energy: -15.587 bonds (distance) P-C4' energy: -16.842 flat angles C4'-P-C4' energy: -15.853 flat angles P-C4'-P energy: -10.645 tors. eta vs tors. theta energy: -18.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -137.634505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.634505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.634505 (E_RNA) where: Base-Base interactions energy: -68.104 where: short stacking energy: -68.104 Base-Backbone interact. energy: 3.044 local terms energy: -72.574624 where: bonds (distance) C4'-P energy: -14.974 bonds (distance) P-C4' energy: -15.989 flat angles C4'-P-C4' energy: -17.501 flat angles P-C4'-P energy: -12.252 tors. eta vs tors. theta energy: -11.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -130.262381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.262381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.262381 (E_RNA) where: Base-Base interactions energy: -62.516 where: short stacking energy: -58.007 Base-Backbone interact. energy: -0.588 local terms energy: -67.157712 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -16.645 flat angles P-C4'-P energy: -9.943 tors. eta vs tors. theta energy: -10.746 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: 4 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -124.908994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.908994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.908994 (E_RNA) where: Base-Base interactions energy: -56.256 where: short stacking energy: -56.256 Base-Backbone interact. energy: -0.125 local terms energy: -68.528129 where: bonds (distance) C4'-P energy: -15.823 bonds (distance) P-C4' energy: -16.148 flat angles C4'-P-C4' energy: -16.903 flat angles P-C4'-P energy: -10.473 tors. eta vs tors. theta energy: -9.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -126.004348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.004348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.004348 (E_RNA) where: Base-Base interactions energy: -63.006 where: short stacking energy: -58.072 Base-Backbone interact. energy: -0.104 local terms energy: -62.894384 where: bonds (distance) C4'-P energy: -17.430 bonds (distance) P-C4' energy: -17.542 flat angles C4'-P-C4' energy: -12.371 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -7.565 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: 3 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -114.607821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.607821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.607821 (E_RNA) where: Base-Base interactions energy: -55.297 where: short stacking energy: -55.297 Base-Backbone interact. energy: -0.075 local terms energy: -59.236247 where: bonds (distance) C4'-P energy: -11.724 bonds (distance) P-C4' energy: -18.166 flat angles C4'-P-C4' energy: -9.394 flat angles P-C4'-P energy: -10.198 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: 1, replica: 5 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -222.665259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.665259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.665259 (E_RNA) where: Base-Base interactions energy: -121.744 where: short stacking energy: -121.744 Base-Backbone interact. energy: -0.000 local terms energy: -100.921690 where: bonds (distance) C4'-P energy: -18.861 bonds (distance) P-C4' energy: -20.896 flat angles C4'-P-C4' energy: -21.755 flat angles P-C4'-P energy: -12.360 tors. eta vs tors. theta energy: -27.049 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: 2, replica: 2 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -199.388369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.388369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.388369 (E_RNA) where: Base-Base interactions energy: -107.972 where: short stacking energy: -107.972 Base-Backbone interact. energy: -0.224 local terms energy: -91.191924 where: bonds (distance) C4'-P energy: -12.387 bonds (distance) P-C4' energy: -20.461 flat angles C4'-P-C4' energy: -19.715 flat angles P-C4'-P energy: -14.443 tors. eta vs tors. theta energy: -24.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -209.087356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.087356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.087356 (E_RNA) where: Base-Base interactions energy: -114.415 where: short stacking energy: -114.415 Base-Backbone interact. energy: -0.014 local terms energy: -94.657480 where: bonds (distance) C4'-P energy: -15.599 bonds (distance) P-C4' energy: -16.999 flat angles C4'-P-C4' energy: -20.330 flat angles P-C4'-P energy: -15.704 tors. eta vs tors. theta energy: -26.026 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: 4, replica: 7 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -178.517094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.517094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.517094 (E_RNA) where: Base-Base interactions energy: -91.252 where: short stacking energy: -91.252 Base-Backbone interact. energy: -0.063 local terms energy: -87.202277 where: bonds (distance) C4'-P energy: -17.230 bonds (distance) P-C4' energy: -17.931 flat angles C4'-P-C4' energy: -20.623 flat angles P-C4'-P energy: -11.843 tors. eta vs tors. theta energy: -19.575 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: 241 Temperature: 1.100000 Total energy: -147.517217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.517217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.517217 (E_RNA) where: Base-Base interactions energy: -69.964 where: short stacking energy: -69.964 Base-Backbone interact. energy: 0.407 local terms energy: -77.960279 where: bonds (distance) C4'-P energy: -20.121 bonds (distance) P-C4' energy: -14.775 flat angles C4'-P-C4' energy: -15.174 flat angles P-C4'-P energy: -16.793 tors. eta vs tors. theta energy: -11.098 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: 6, replica: 10 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -156.523943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.523943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.523943 (E_RNA) where: Base-Base interactions energy: -78.132 where: short stacking energy: -78.132 Base-Backbone interact. energy: -0.270 local terms energy: -78.122145 where: bonds (distance) C4'-P energy: -18.794 bonds (distance) P-C4' energy: -19.038 flat angles C4'-P-C4' energy: -17.536 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -17.309 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: 6 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -148.269565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.269565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.269565 (E_RNA) where: Base-Base interactions energy: -75.431 where: short stacking energy: -75.431 Base-Backbone interact. energy: -0.650 local terms energy: -72.188673 where: bonds (distance) C4'-P energy: -11.781 bonds (distance) P-C4' energy: -18.607 flat angles C4'-P-C4' energy: -13.403 flat angles P-C4'-P energy: -12.316 tors. eta vs tors. theta energy: -16.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -134.576016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.576016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.576016 (E_RNA) where: Base-Base interactions energy: -58.745 where: short stacking energy: -58.745 Base-Backbone interact. energy: -0.171 local terms energy: -75.659990 where: bonds (distance) C4'-P energy: -16.510 bonds (distance) P-C4' energy: -17.301 flat angles C4'-P-C4' energy: -19.043 flat angles P-C4'-P energy: -16.442 tors. eta vs tors. theta energy: -6.363 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: 4 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -137.839719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.839719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.839719 (E_RNA) where: Base-Base interactions energy: -68.632 where: short stacking energy: -68.547 Base-Backbone interact. energy: -0.124 local terms energy: -69.083737 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -20.273 flat angles C4'-P-C4' energy: -15.457 flat angles P-C4'-P energy: -9.140 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: 10, replica: 3 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -109.083087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.083087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.083087 (E_RNA) where: Base-Base interactions energy: -47.358 where: short stacking energy: -47.146 Base-Backbone interact. energy: -2.216 local terms energy: -59.508750 where: bonds (distance) C4'-P energy: -11.071 bonds (distance) P-C4' energy: -18.054 flat angles C4'-P-C4' energy: -9.222 flat angles P-C4'-P energy: -11.766 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: 1, replica: 2 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -202.872817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.872817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.872817 (E_RNA) where: Base-Base interactions energy: -108.638 where: short stacking energy: -108.638 Base-Backbone interact. energy: -0.003 local terms energy: -94.232011 where: bonds (distance) C4'-P energy: -15.806 bonds (distance) P-C4' energy: -20.145 flat angles C4'-P-C4' energy: -22.167 flat angles P-C4'-P energy: -10.832 tors. eta vs tors. theta energy: -25.281 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: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -220.233414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.233414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.233414 (E_RNA) where: Base-Base interactions energy: -119.708 where: short stacking energy: -119.708 Base-Backbone interact. energy: -0.326 local terms energy: -100.199323 where: bonds (distance) C4'-P energy: -19.097 bonds (distance) P-C4' energy: -20.373 flat angles C4'-P-C4' energy: -18.539 flat angles P-C4'-P energy: -13.098 tors. eta vs tors. theta energy: -29.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -204.074530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.074530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.074530 (E_RNA) where: Base-Base interactions energy: -112.616 where: short stacking energy: -112.616 Base-Backbone interact. energy: -0.000 local terms energy: -91.458819 where: bonds (distance) C4'-P energy: -14.814 bonds (distance) P-C4' energy: -16.596 flat angles C4'-P-C4' energy: -18.816 flat angles P-C4'-P energy: -12.654 tors. eta vs tors. theta energy: -28.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -188.093375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.093375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.093375 (E_RNA) where: Base-Base interactions energy: -97.306 where: short stacking energy: -97.306 Base-Backbone interact. energy: -0.008 local terms energy: -90.779800 where: bonds (distance) C4'-P energy: -20.455 bonds (distance) P-C4' energy: -15.915 flat angles C4'-P-C4' energy: -19.358 flat angles P-C4'-P energy: -12.750 tors. eta vs tors. theta energy: -22.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -153.258254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.258254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.258254 (E_RNA) where: Base-Base interactions energy: -69.737 where: short stacking energy: -68.258 Base-Backbone interact. energy: -0.095 local terms energy: -83.426250 where: bonds (distance) C4'-P energy: -17.906 bonds (distance) P-C4' energy: -20.374 flat angles C4'-P-C4' energy: -18.686 flat angles P-C4'-P energy: -12.552 tors. eta vs tors. theta energy: -13.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -150.258023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.258023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.258023 (E_RNA) where: Base-Base interactions energy: -75.668 where: short stacking energy: -75.668 Base-Backbone interact. energy: -0.208 local terms energy: -74.381120 where: bonds (distance) C4'-P energy: -18.306 bonds (distance) P-C4' energy: -17.243 flat angles C4'-P-C4' energy: -16.885 flat angles P-C4'-P energy: -8.266 tors. eta vs tors. theta energy: -13.681 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: 1 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -137.807696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.807696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.807696 (E_RNA) where: Base-Base interactions energy: -71.548 where: short stacking energy: -71.008 Base-Backbone interact. energy: -0.204 local terms energy: -66.054981 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -14.049 flat angles C4'-P-C4' energy: -17.528 flat angles P-C4'-P energy: -7.353 tors. eta vs tors. theta energy: -14.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -116.440085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.440085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.440085 (E_RNA) where: Base-Base interactions energy: -57.795 where: short stacking energy: -57.795 Base-Backbone interact. energy: -0.179 local terms energy: -58.466369 where: bonds (distance) C4'-P energy: -9.389 bonds (distance) P-C4' energy: -13.329 flat angles C4'-P-C4' energy: -17.940 flat angles P-C4'-P energy: -10.353 tors. eta vs tors. theta energy: -7.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -137.841488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.841488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.841488 (E_RNA) where: Base-Base interactions energy: -62.337 where: short stacking energy: -62.337 Base-Backbone interact. energy: -0.014 local terms energy: -75.490406 where: bonds (distance) C4'-P energy: -17.077 bonds (distance) P-C4' energy: -14.465 flat angles C4'-P-C4' energy: -20.212 flat angles P-C4'-P energy: -7.274 tors. eta vs tors. theta energy: -16.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -114.950191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.950191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.950191 (E_RNA) where: Base-Base interactions energy: -55.089 where: short stacking energy: -55.089 Base-Backbone interact. energy: -0.223 local terms energy: -59.637935 where: bonds (distance) C4'-P energy: -14.804 bonds (distance) P-C4' energy: -18.138 flat angles C4'-P-C4' energy: -13.436 flat angles P-C4'-P energy: -8.390 tors. eta vs tors. theta energy: -4.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -215.184211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.184211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.184211 (E_RNA) where: Base-Base interactions energy: -119.494 where: short stacking energy: -114.139 Base-Backbone interact. energy: -0.031 local terms energy: -95.659431 where: bonds (distance) C4'-P energy: -18.584 bonds (distance) P-C4' energy: -20.746 flat angles C4'-P-C4' energy: -19.007 flat angles P-C4'-P energy: -15.381 tors. eta vs tors. theta energy: -21.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -222.912245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.912245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.912245 (E_RNA) where: Base-Base interactions energy: -120.654 where: short stacking energy: -120.654 Base-Backbone interact. energy: -0.000 local terms energy: -102.257956 where: bonds (distance) C4'-P energy: -19.466 bonds (distance) P-C4' energy: -19.404 flat angles C4'-P-C4' energy: -20.103 flat angles P-C4'-P energy: -11.777 tors. eta vs tors. theta energy: -31.507 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: 9 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -209.083553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.083553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.083553 (E_RNA) where: Base-Base interactions energy: -114.228 where: short stacking energy: -114.228 Base-Backbone interact. energy: -0.000 local terms energy: -94.855410 where: bonds (distance) C4'-P energy: -18.244 bonds (distance) P-C4' energy: -21.218 flat angles C4'-P-C4' energy: -19.212 flat angles P-C4'-P energy: -10.657 tors. eta vs tors. theta energy: -25.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -173.649875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.649875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.649875 (E_RNA) where: Base-Base interactions energy: -94.109 where: short stacking energy: -94.109 Base-Backbone interact. energy: -0.036 local terms energy: -79.505190 where: bonds (distance) C4'-P energy: -16.472 bonds (distance) P-C4' energy: -10.642 flat angles C4'-P-C4' energy: -19.118 flat angles P-C4'-P energy: -10.723 tors. eta vs tors. theta energy: -22.551 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: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -157.315319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.315319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.315319 (E_RNA) where: Base-Base interactions energy: -80.102 where: short stacking energy: -80.202 Base-Backbone interact. energy: -0.123 local terms energy: -77.089350 where: bonds (distance) C4'-P energy: -17.929 bonds (distance) P-C4' energy: -17.430 flat angles C4'-P-C4' energy: -18.494 flat angles P-C4'-P energy: -10.510 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: 6, replica: 1 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -157.959075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.959075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.959075 (E_RNA) where: Base-Base interactions energy: -80.977 where: short stacking energy: -80.977 Base-Backbone interact. energy: -0.009 local terms energy: -76.973328 where: bonds (distance) C4'-P energy: -15.180 bonds (distance) P-C4' energy: -16.917 flat angles C4'-P-C4' energy: -16.671 flat angles P-C4'-P energy: -11.867 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: 7, replica: 10 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -127.518772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.518772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.518772 (E_RNA) where: Base-Base interactions energy: -56.236 where: short stacking energy: -56.236 Base-Backbone interact. energy: -0.522 local terms energy: -70.760035 where: bonds (distance) C4'-P energy: -14.767 bonds (distance) P-C4' energy: -17.365 flat angles C4'-P-C4' energy: -17.753 flat angles P-C4'-P energy: -13.865 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: 8, replica: 4 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -129.679732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.679732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.679732 (E_RNA) where: Base-Base interactions energy: -57.931 where: short stacking energy: -57.931 Base-Backbone interact. energy: -0.041 local terms energy: -71.707342 where: bonds (distance) C4'-P energy: -18.100 bonds (distance) P-C4' energy: -15.743 flat angles C4'-P-C4' energy: -17.374 flat angles P-C4'-P energy: -13.011 tors. eta vs tors. theta energy: -7.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -136.246568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.246568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.246568 (E_RNA) where: Base-Base interactions energy: -71.487 where: short stacking energy: -70.293 Base-Backbone interact. energy: -0.221 local terms energy: -64.539447 where: bonds (distance) C4'-P energy: -4.334 bonds (distance) P-C4' energy: -17.087 flat angles C4'-P-C4' energy: -17.713 flat angles P-C4'-P energy: -14.765 tors. eta vs tors. theta energy: -10.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -128.731168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.731168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.731168 (E_RNA) where: Base-Base interactions energy: -64.475 where: short stacking energy: -64.292 Base-Backbone interact. energy: 0.162 local terms energy: -64.417529 where: bonds (distance) C4'-P energy: -17.371 bonds (distance) P-C4' energy: -18.872 flat angles C4'-P-C4' energy: -11.654 flat angles P-C4'-P energy: -6.597 tors. eta vs tors. theta energy: -9.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -214.501548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.501548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.501548 (E_RNA) where: Base-Base interactions energy: -120.259 where: short stacking energy: -120.139 Base-Backbone interact. energy: -0.305 local terms energy: -93.937739 where: bonds (distance) C4'-P energy: -15.312 bonds (distance) P-C4' energy: -17.945 flat angles C4'-P-C4' energy: -20.432 flat angles P-C4'-P energy: -15.088 tors. eta vs tors. theta energy: -25.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -187.318748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.318748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.318748 (E_RNA) where: Base-Base interactions energy: -99.177 where: short stacking energy: -99.177 Base-Backbone interact. energy: -0.048 local terms energy: -88.093889 where: bonds (distance) C4'-P energy: -21.205 bonds (distance) P-C4' energy: -19.868 flat angles C4'-P-C4' energy: -17.761 flat angles P-C4'-P energy: -10.506 tors. eta vs tors. theta energy: -18.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -201.649486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.649486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.649486 (E_RNA) where: Base-Base interactions energy: -112.290 where: short stacking energy: -112.290 Base-Backbone interact. energy: -0.000 local terms energy: -89.359132 where: bonds (distance) C4'-P energy: -17.946 bonds (distance) P-C4' energy: -18.719 flat angles C4'-P-C4' energy: -15.764 flat angles P-C4'-P energy: -12.310 tors. eta vs tors. theta energy: -24.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -171.485803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.485803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.485803 (E_RNA) where: Base-Base interactions energy: -81.049 where: short stacking energy: -81.049 Base-Backbone interact. energy: -0.104 local terms energy: -90.333223 where: bonds (distance) C4'-P energy: -17.657 bonds (distance) P-C4' energy: -20.263 flat angles C4'-P-C4' energy: -20.370 flat angles P-C4'-P energy: -16.239 tors. eta vs tors. theta energy: -15.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -179.879190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.879190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.879190 (E_RNA) where: Base-Base interactions energy: -94.999 where: short stacking energy: -94.999 Base-Backbone interact. energy: -0.310 local terms energy: -84.570754 where: bonds (distance) C4'-P energy: -16.364 bonds (distance) P-C4' energy: -19.207 flat angles C4'-P-C4' energy: -16.046 flat angles P-C4'-P energy: -9.982 tors. eta vs tors. theta energy: -22.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -140.631664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.631664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.631664 (E_RNA) where: Base-Base interactions energy: -63.241 where: short stacking energy: -63.241 Base-Backbone interact. energy: -0.160 local terms energy: -77.230594 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -21.017 flat angles C4'-P-C4' energy: -16.822 flat angles P-C4'-P energy: -16.953 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: 7, replica: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -144.491314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.491314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.491314 (E_RNA) where: Base-Base interactions energy: -70.769 where: short stacking energy: -70.769 Base-Backbone interact. energy: -0.340 local terms energy: -73.382918 where: bonds (distance) C4'-P energy: -16.374 bonds (distance) P-C4' energy: -14.723 flat angles C4'-P-C4' energy: -14.017 flat angles P-C4'-P energy: -14.112 tors. eta vs tors. theta energy: -14.158 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: 10 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -119.755019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.755019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.755019 (E_RNA) where: Base-Base interactions energy: -60.757 where: short stacking energy: -60.757 Base-Backbone interact. energy: 0.744 local terms energy: -59.741787 where: bonds (distance) C4'-P energy: -13.480 bonds (distance) P-C4' energy: -9.689 flat angles C4'-P-C4' energy: -21.332 flat angles P-C4'-P energy: -7.952 tors. eta vs tors. theta energy: -7.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -127.582411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.582411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.582411 (E_RNA) where: Base-Base interactions energy: -60.595 where: short stacking energy: -60.522 Base-Backbone interact. energy: -0.935 local terms energy: -66.053196 where: bonds (distance) C4'-P energy: -10.335 bonds (distance) P-C4' energy: -15.701 flat angles C4'-P-C4' energy: -18.103 flat angles P-C4'-P energy: -12.355 tors. eta vs tors. theta energy: -9.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -120.032121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.032121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.032121 (E_RNA) where: Base-Base interactions energy: -58.525 where: short stacking energy: -58.490 Base-Backbone interact. energy: -0.219 local terms energy: -61.288509 where: bonds (distance) C4'-P energy: -20.695 bonds (distance) P-C4' energy: -10.319 flat angles C4'-P-C4' energy: -11.993 flat angles P-C4'-P energy: -10.843 tors. eta vs tors. theta energy: -7.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -209.842376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.842376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.842376 (E_RNA) where: Base-Base interactions energy: -113.620 where: short stacking energy: -113.620 Base-Backbone interact. energy: -0.006 local terms energy: -96.216775 where: bonds (distance) C4'-P energy: -19.979 bonds (distance) P-C4' energy: -21.356 flat angles C4'-P-C4' energy: -18.939 flat angles P-C4'-P energy: -11.834 tors. eta vs tors. theta energy: -24.109 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: 245 Temperature: 0.950000 Total energy: -201.966642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.966642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.966642 (E_RNA) where: Base-Base interactions energy: -112.736 where: short stacking energy: -112.736 Base-Backbone interact. energy: -0.078 local terms energy: -89.152107 where: bonds (distance) C4'-P energy: -16.755 bonds (distance) P-C4' energy: -20.450 flat angles C4'-P-C4' energy: -18.854 flat angles P-C4'-P energy: -7.617 tors. eta vs tors. theta energy: -25.477 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: 245 Temperature: 1.000000 Total energy: -192.408164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.408164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.408164 (E_RNA) where: Base-Base interactions energy: -106.203 where: short stacking energy: -106.203 Base-Backbone interact. energy: -0.155 local terms energy: -86.050542 where: bonds (distance) C4'-P energy: -13.975 bonds (distance) P-C4' energy: -15.377 flat angles C4'-P-C4' energy: -21.440 flat angles P-C4'-P energy: -14.243 tors. eta vs tors. theta energy: -21.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -186.704555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.704555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.704555 (E_RNA) where: Base-Base interactions energy: -101.658 where: short stacking energy: -101.658 Base-Backbone interact. energy: -0.174 local terms energy: -84.872623 where: bonds (distance) C4'-P energy: -14.574 bonds (distance) P-C4' energy: -19.320 flat angles C4'-P-C4' energy: -20.906 flat angles P-C4'-P energy: -9.681 tors. eta vs tors. theta energy: -20.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -195.610257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.610257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.610257 (E_RNA) where: Base-Base interactions energy: -103.694 where: short stacking energy: -103.694 Base-Backbone interact. energy: -0.000 local terms energy: -91.916227 where: bonds (distance) C4'-P energy: -12.636 bonds (distance) P-C4' energy: -16.372 flat angles C4'-P-C4' energy: -21.723 flat angles P-C4'-P energy: -15.246 tors. eta vs tors. theta energy: -25.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -143.591840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.591840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.591840 (E_RNA) where: Base-Base interactions energy: -80.425 where: short stacking energy: -80.425 Base-Backbone interact. energy: -0.070 local terms energy: -63.097368 where: bonds (distance) C4'-P energy: -9.769 bonds (distance) P-C4' energy: -16.501 flat angles C4'-P-C4' energy: -16.664 flat angles P-C4'-P energy: -7.312 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: 7, replica: 1 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -141.597893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.597893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.597893 (E_RNA) where: Base-Base interactions energy: -69.335 where: short stacking energy: -69.335 Base-Backbone interact. energy: -0.131 local terms energy: -72.131884 where: bonds (distance) C4'-P energy: -19.259 bonds (distance) P-C4' energy: -17.484 flat angles C4'-P-C4' energy: -14.294 flat angles P-C4'-P energy: -10.118 tors. eta vs tors. theta energy: -10.976 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: 8, replica: 10 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -126.246987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.246987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.246987 (E_RNA) where: Base-Base interactions energy: -57.658 where: short stacking energy: -57.631 Base-Backbone interact. energy: -0.771 local terms energy: -67.817843 where: bonds (distance) C4'-P energy: -15.768 bonds (distance) P-C4' energy: -15.444 flat angles C4'-P-C4' energy: -18.345 flat angles P-C4'-P energy: -7.626 tors. eta vs tors. theta energy: -10.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -116.387054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.387054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.387054 (E_RNA) where: Base-Base interactions energy: -62.030 where: short stacking energy: -62.030 Base-Backbone interact. energy: -0.523 local terms energy: -53.833819 where: bonds (distance) C4'-P energy: -8.204 bonds (distance) P-C4' energy: -17.747 flat angles C4'-P-C4' energy: -16.797 flat angles P-C4'-P energy: -8.254 tors. eta vs tors. theta energy: -2.831 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: 10, replica: 6 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -119.035284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.035284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.035284 (E_RNA) where: Base-Base interactions energy: -53.357 where: short stacking energy: -54.188 Base-Backbone interact. energy: -0.838 local terms energy: -64.840925 where: bonds (distance) C4'-P energy: -16.838 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -14.618 flat angles P-C4'-P energy: -11.182 tors. eta vs tors. theta energy: -7.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -210.263932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.263932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.263932 (E_RNA) where: Base-Base interactions energy: -114.766 where: short stacking energy: -114.766 Base-Backbone interact. energy: -0.061 local terms energy: -95.437382 where: bonds (distance) C4'-P energy: -18.621 bonds (distance) P-C4' energy: -17.795 flat angles C4'-P-C4' energy: -17.640 flat angles P-C4'-P energy: -13.865 tors. eta vs tors. theta energy: -27.516 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: 2 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -188.037070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.037070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.037070 (E_RNA) where: Base-Base interactions energy: -100.015 where: short stacking energy: -94.768 Base-Backbone interact. energy: -0.490 local terms energy: -87.531156 where: bonds (distance) C4'-P energy: -19.204 bonds (distance) P-C4' energy: -15.701 flat angles C4'-P-C4' energy: -15.926 flat angles P-C4'-P energy: -16.366 tors. eta vs tors. theta energy: -20.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -187.744957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.744957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.744957 (E_RNA) where: Base-Base interactions energy: -100.044 where: short stacking energy: -100.044 Base-Backbone interact. energy: -0.001 local terms energy: -87.700348 where: bonds (distance) C4'-P energy: -16.356 bonds (distance) P-C4' energy: -17.393 flat angles C4'-P-C4' energy: -19.875 flat angles P-C4'-P energy: -11.894 tors. eta vs tors. theta energy: -22.182 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: 8 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -161.946558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.946558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.946558 (E_RNA) where: Base-Base interactions energy: -81.598 where: short stacking energy: -80.863 Base-Backbone interact. energy: 0.068 local terms energy: -80.417038 where: bonds (distance) C4'-P energy: -17.011 bonds (distance) P-C4' energy: -18.655 flat angles C4'-P-C4' energy: -16.320 flat angles P-C4'-P energy: -15.597 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: 246 Temperature: 1.100000 Total energy: -159.859059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.859059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.859059 (E_RNA) where: Base-Base interactions energy: -82.641 where: short stacking energy: -82.216 Base-Backbone interact. energy: -0.314 local terms energy: -76.904285 where: bonds (distance) C4'-P energy: -11.771 bonds (distance) P-C4' energy: -17.754 flat angles C4'-P-C4' energy: -16.325 flat angles P-C4'-P energy: -13.495 tors. eta vs tors. theta energy: -17.559 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: 7 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -142.173304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.173304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.173304 (E_RNA) where: Base-Base interactions energy: -66.795 where: short stacking energy: -66.795 Base-Backbone interact. energy: -0.137 local terms energy: -75.241408 where: bonds (distance) C4'-P energy: -13.253 bonds (distance) P-C4' energy: -17.466 flat angles C4'-P-C4' energy: -20.160 flat angles P-C4'-P energy: -10.428 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: 7, replica: 10 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -122.008644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.008644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.008644 (E_RNA) where: Base-Base interactions energy: -56.816 where: short stacking energy: -56.722 Base-Backbone interact. energy: -0.358 local terms energy: -64.834191 where: bonds (distance) C4'-P energy: -13.774 bonds (distance) P-C4' energy: -17.557 flat angles C4'-P-C4' energy: -11.924 flat angles P-C4'-P energy: -8.217 tors. eta vs tors. theta energy: -13.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -125.501268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.501268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.501268 (E_RNA) where: Base-Base interactions energy: -60.334 where: short stacking energy: -58.305 Base-Backbone interact. energy: -0.882 local terms energy: -64.284674 where: bonds (distance) C4'-P energy: -16.078 bonds (distance) P-C4' energy: -17.265 flat angles C4'-P-C4' energy: -12.109 flat angles P-C4'-P energy: -7.639 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: 9, replica: 6 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -120.212333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.212333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.212333 (E_RNA) where: Base-Base interactions energy: -56.179 where: short stacking energy: -56.179 Base-Backbone interact. energy: -0.190 local terms energy: -63.842983 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -21.926 flat angles C4'-P-C4' energy: -12.324 flat angles P-C4'-P energy: -8.547 tors. eta vs tors. theta energy: -7.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -105.948320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.948320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.948320 (E_RNA) where: Base-Base interactions energy: -50.450 where: short stacking energy: -50.450 Base-Backbone interact. energy: -0.081 local terms energy: -55.416453 where: bonds (distance) C4'-P energy: -9.694 bonds (distance) P-C4' energy: -20.432 flat angles C4'-P-C4' energy: -14.826 flat angles P-C4'-P energy: -2.984 tors. eta vs tors. theta energy: -7.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -217.008575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.008575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.008575 (E_RNA) where: Base-Base interactions energy: -118.024 where: short stacking energy: -118.024 Base-Backbone interact. energy: -0.002 local terms energy: -98.982581 where: bonds (distance) C4'-P energy: -18.941 bonds (distance) P-C4' energy: -21.193 flat angles C4'-P-C4' energy: -19.267 flat angles P-C4'-P energy: -11.247 tors. eta vs tors. theta energy: -28.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -193.184746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.184746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.184746 (E_RNA) where: Base-Base interactions energy: -106.248 where: short stacking energy: -106.248 Base-Backbone interact. energy: -0.007 local terms energy: -86.930383 where: bonds (distance) C4'-P energy: -17.058 bonds (distance) P-C4' energy: -18.543 flat angles C4'-P-C4' energy: -19.261 flat angles P-C4'-P energy: -13.808 tors. eta vs tors. theta energy: -18.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -182.653224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.653224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.653224 (E_RNA) where: Base-Base interactions energy: -98.980 where: short stacking energy: -98.980 Base-Backbone interact. energy: -0.032 local terms energy: -83.641730 where: bonds (distance) C4'-P energy: -15.789 bonds (distance) P-C4' energy: -18.103 flat angles C4'-P-C4' energy: -20.881 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: -20.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -173.743208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.743208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.743208 (E_RNA) where: Base-Base interactions energy: -88.879 where: short stacking energy: -88.845 Base-Backbone interact. energy: -0.134 local terms energy: -84.730259 where: bonds (distance) C4'-P energy: -19.098 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -22.483 flat angles P-C4'-P energy: -10.581 tors. eta vs tors. theta energy: -18.096 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: 8 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -177.610181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.610181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.610181 (E_RNA) where: Base-Base interactions energy: -96.456 where: short stacking energy: -96.456 Base-Backbone interact. energy: -0.013 local terms energy: -81.141165 where: bonds (distance) C4'-P energy: -10.199 bonds (distance) P-C4' energy: -15.897 flat angles C4'-P-C4' energy: -22.212 flat angles P-C4'-P energy: -9.646 tors. eta vs tors. theta energy: -23.187 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: 6, replica: 10 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -150.876071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.876071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.876071 (E_RNA) where: Base-Base interactions energy: -75.502 where: short stacking energy: -75.502 Base-Backbone interact. energy: -0.134 local terms energy: -75.239740 where: bonds (distance) C4'-P energy: -16.412 bonds (distance) P-C4' energy: -13.929 flat angles C4'-P-C4' energy: -16.675 flat angles P-C4'-P energy: -11.992 tors. eta vs tors. theta energy: -16.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -150.681990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.681990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.681990 (E_RNA) where: Base-Base interactions energy: -73.001 where: short stacking energy: -73.001 Base-Backbone interact. energy: 0.651 local terms energy: -78.331986 where: bonds (distance) C4'-P energy: -12.437 bonds (distance) P-C4' energy: -19.121 flat angles C4'-P-C4' energy: -17.862 flat angles P-C4'-P energy: -14.670 tors. eta vs tors. theta energy: -14.242 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: 8, replica: 6 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -139.102150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.102150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.102150 (E_RNA) where: Base-Base interactions energy: -69.634 where: short stacking energy: -69.634 Base-Backbone interact. energy: -0.099 local terms energy: -69.369265 where: bonds (distance) C4'-P energy: -8.872 bonds (distance) P-C4' energy: -17.551 flat angles C4'-P-C4' energy: -17.825 flat angles P-C4'-P energy: -8.702 tors. eta vs tors. theta energy: -16.419 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: 1 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -122.265729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.265729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.265729 (E_RNA) where: Base-Base interactions energy: -51.523 where: short stacking energy: -50.005 Base-Backbone interact. energy: -0.542 local terms energy: -70.200407 where: bonds (distance) C4'-P energy: -17.396 bonds (distance) P-C4' energy: -19.040 flat angles C4'-P-C4' energy: -19.759 flat angles P-C4'-P energy: -8.728 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: 3 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -120.093003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.093003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.093003 (E_RNA) where: Base-Base interactions energy: -50.712 where: short stacking energy: -50.678 Base-Backbone interact. energy: -0.070 local terms energy: -69.311604 where: bonds (distance) C4'-P energy: -10.979 bonds (distance) P-C4' energy: -20.840 flat angles C4'-P-C4' energy: -19.287 flat angles P-C4'-P energy: -7.083 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: 1, replica: 9 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -205.317747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.317747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.317747 (E_RNA) where: Base-Base interactions energy: -112.535 where: short stacking energy: -112.535 Base-Backbone interact. energy: -0.108 local terms energy: -92.674488 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -20.668 flat angles C4'-P-C4' energy: -21.128 flat angles P-C4'-P energy: -13.878 tors. eta vs tors. theta energy: -24.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -176.074235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.074235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.074235 (E_RNA) where: Base-Base interactions energy: -87.386 where: short stacking energy: -87.386 Base-Backbone interact. energy: 0.638 local terms energy: -89.326205 where: bonds (distance) C4'-P energy: -19.395 bonds (distance) P-C4' energy: -20.632 flat angles C4'-P-C4' energy: -20.556 flat angles P-C4'-P energy: -10.282 tors. eta vs tors. theta energy: -18.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -182.733948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.733948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.733948 (E_RNA) where: Base-Base interactions energy: -95.442 where: short stacking energy: -95.442 Base-Backbone interact. energy: -0.022 local terms energy: -87.270685 where: bonds (distance) C4'-P energy: -17.482 bonds (distance) P-C4' energy: -19.442 flat angles C4'-P-C4' energy: -20.164 flat angles P-C4'-P energy: -14.812 tors. eta vs tors. theta energy: -15.370 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: 2 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -185.702599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.702599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.702599 (E_RNA) where: Base-Base interactions energy: -99.023 where: short stacking energy: -99.023 Base-Backbone interact. energy: -0.002 local terms energy: -86.677388 where: bonds (distance) C4'-P energy: -16.761 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -20.719 flat angles P-C4'-P energy: -12.867 tors. eta vs tors. theta energy: -22.348 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: 10 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -154.688798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.688798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.688798 (E_RNA) where: Base-Base interactions energy: -81.798 where: short stacking energy: -81.798 Base-Backbone interact. energy: -0.119 local terms energy: -72.772245 where: bonds (distance) C4'-P energy: -15.243 bonds (distance) P-C4' energy: -18.813 flat angles C4'-P-C4' energy: -17.025 flat angles P-C4'-P energy: -9.419 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: 6, replica: 8 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -156.852172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.852172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.852172 (E_RNA) where: Base-Base interactions energy: -76.745 where: short stacking energy: -76.745 Base-Backbone interact. energy: -0.198 local terms energy: -79.908938 where: bonds (distance) C4'-P energy: -19.072 bonds (distance) P-C4' energy: -18.599 flat angles C4'-P-C4' energy: -20.217 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -16.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -135.209972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.209972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.209972 (E_RNA) where: Base-Base interactions energy: -70.557 where: short stacking energy: -70.172 Base-Backbone interact. energy: 0.874 local terms energy: -65.527564 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -19.897 flat angles C4'-P-C4' energy: -16.539 flat angles P-C4'-P energy: -13.314 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: 8, replica: 7 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -131.110906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.110906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.110906 (E_RNA) where: Base-Base interactions energy: -57.858 where: short stacking energy: -57.858 Base-Backbone interact. energy: 0.394 local terms energy: -73.647002 where: bonds (distance) C4'-P energy: -19.428 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -13.866 flat angles P-C4'-P energy: -13.669 tors. eta vs tors. theta energy: -11.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -120.445654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.445654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.445654 (E_RNA) where: Base-Base interactions energy: -58.273 where: short stacking energy: -58.273 Base-Backbone interact. energy: -0.723 local terms energy: -61.449884 where: bonds (distance) C4'-P energy: -8.207 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -16.284 flat angles P-C4'-P energy: -9.934 tors. eta vs tors. theta energy: -10.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -106.724835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.724835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.724835 (E_RNA) where: Base-Base interactions energy: -57.274 where: short stacking energy: -57.274 Base-Backbone interact. energy: -0.070 local terms energy: -49.380972 where: bonds (distance) C4'-P energy: -10.508 bonds (distance) P-C4' energy: -12.425 flat angles C4'-P-C4' energy: -18.434 flat angles P-C4'-P energy: -1.392 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: 1, replica: 9 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -199.372496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.372496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.372496 (E_RNA) where: Base-Base interactions energy: -107.153 where: short stacking energy: -107.153 Base-Backbone interact. energy: -0.006 local terms energy: -92.213925 where: bonds (distance) C4'-P energy: -18.416 bonds (distance) P-C4' energy: -19.330 flat angles C4'-P-C4' energy: -16.537 flat angles P-C4'-P energy: -11.554 tors. eta vs tors. theta energy: -26.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -178.473058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.473058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.473058 (E_RNA) where: Base-Base interactions energy: -94.568 where: short stacking energy: -92.957 Base-Backbone interact. energy: -0.266 local terms energy: -83.638090 where: bonds (distance) C4'-P energy: -18.812 bonds (distance) P-C4' energy: -19.566 flat angles C4'-P-C4' energy: -16.993 flat angles P-C4'-P energy: -11.824 tors. eta vs tors. theta energy: -16.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -204.225233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.225233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.225233 (E_RNA) where: Base-Base interactions energy: -111.287 where: short stacking energy: -111.287 Base-Backbone interact. energy: -0.523 local terms energy: -92.416063 where: bonds (distance) C4'-P energy: -19.114 bonds (distance) P-C4' energy: -19.157 flat angles C4'-P-C4' energy: -18.078 flat angles P-C4'-P energy: -11.360 tors. eta vs tors. theta energy: -24.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -181.133596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.133596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.133596 (E_RNA) where: Base-Base interactions energy: -100.656 where: short stacking energy: -100.656 Base-Backbone interact. energy: -0.005 local terms energy: -80.472437 where: bonds (distance) C4'-P energy: -16.642 bonds (distance) P-C4' energy: -16.847 flat angles C4'-P-C4' energy: -14.431 flat angles P-C4'-P energy: -8.396 tors. eta vs tors. theta energy: -24.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -155.796887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.796887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.796887 (E_RNA) where: Base-Base interactions energy: -79.984 where: short stacking energy: -79.984 Base-Backbone interact. energy: -0.000 local terms energy: -75.812998 where: bonds (distance) C4'-P energy: -18.328 bonds (distance) P-C4' energy: -12.442 flat angles C4'-P-C4' energy: -16.477 flat angles P-C4'-P energy: -11.942 tors. eta vs tors. theta energy: -16.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -156.613261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.613261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.613261 (E_RNA) where: Base-Base interactions energy: -83.431 where: short stacking energy: -81.816 Base-Backbone interact. energy: -0.218 local terms energy: -72.963977 where: bonds (distance) C4'-P energy: -15.178 bonds (distance) P-C4' energy: -19.161 flat angles C4'-P-C4' energy: -12.401 flat angles P-C4'-P energy: -9.705 tors. eta vs tors. theta energy: -16.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -139.813041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.813041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.813041 (E_RNA) where: Base-Base interactions energy: -69.644 where: short stacking energy: -69.644 Base-Backbone interact. energy: -0.033 local terms energy: -70.135991 where: bonds (distance) C4'-P energy: -16.808 bonds (distance) P-C4' energy: -16.161 flat angles C4'-P-C4' energy: -14.804 flat angles P-C4'-P energy: -8.911 tors. eta vs tors. theta energy: -13.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -123.527359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.527359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.527359 (E_RNA) where: Base-Base interactions energy: -57.328 where: short stacking energy: -53.867 Base-Backbone interact. energy: -0.684 local terms energy: -65.515914 where: bonds (distance) C4'-P energy: -19.517 bonds (distance) P-C4' energy: -17.500 flat angles C4'-P-C4' energy: -15.685 flat angles P-C4'-P energy: -5.247 tors. eta vs tors. theta energy: -7.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -127.252406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.252406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.252406 (E_RNA) where: Base-Base interactions energy: -60.746 where: short stacking energy: -60.846 Base-Backbone interact. energy: -0.077 local terms energy: -66.429545 where: bonds (distance) C4'-P energy: -18.261 bonds (distance) P-C4' energy: -17.907 flat angles C4'-P-C4' energy: -13.033 flat angles P-C4'-P energy: -7.694 tors. eta vs tors. theta energy: -9.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -120.719204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.719204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.719204 (E_RNA) where: Base-Base interactions energy: -50.775 where: short stacking energy: -50.775 Base-Backbone interact. energy: -0.278 local terms energy: -69.666348 where: bonds (distance) C4'-P energy: -17.942 bonds (distance) P-C4' energy: -17.695 flat angles C4'-P-C4' energy: -16.295 flat angles P-C4'-P energy: -10.071 tors. eta vs tors. theta energy: -7.663 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: 9 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -188.159744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.159744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.159744 (E_RNA) where: Base-Base interactions energy: -98.644 where: short stacking energy: -98.644 Base-Backbone interact. energy: -0.111 local terms energy: -89.404544 where: bonds (distance) C4'-P energy: -17.910 bonds (distance) P-C4' energy: -19.528 flat angles C4'-P-C4' energy: -19.786 flat angles P-C4'-P energy: -11.919 tors. eta vs tors. theta energy: -20.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -200.692157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.692157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.692157 (E_RNA) where: Base-Base interactions energy: -105.779 where: short stacking energy: -105.779 Base-Backbone interact. energy: -0.000 local terms energy: -94.912852 where: bonds (distance) C4'-P energy: -17.645 bonds (distance) P-C4' energy: -20.532 flat angles C4'-P-C4' energy: -20.101 flat angles P-C4'-P energy: -14.389 tors. eta vs tors. theta energy: -22.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -189.006561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.006561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.006561 (E_RNA) where: Base-Base interactions energy: -100.578 where: short stacking energy: -100.578 Base-Backbone interact. energy: -0.085 local terms energy: -88.343803 where: bonds (distance) C4'-P energy: -18.375 bonds (distance) P-C4' energy: -17.431 flat angles C4'-P-C4' energy: -17.860 flat angles P-C4'-P energy: -12.146 tors. eta vs tors. theta energy: -22.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -187.070473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.070473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.070473 (E_RNA) where: Base-Base interactions energy: -96.060 where: short stacking energy: -94.036 Base-Backbone interact. energy: 0.946 local terms energy: -91.956362 where: bonds (distance) C4'-P energy: -16.170 bonds (distance) P-C4' energy: -22.349 flat angles C4'-P-C4' energy: -23.083 flat angles P-C4'-P energy: -11.820 tors. eta vs tors. theta energy: -18.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -150.931536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.931536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.931536 (E_RNA) where: Base-Base interactions energy: -74.353 where: short stacking energy: -74.353 Base-Backbone interact. energy: -0.092 local terms energy: -76.486180 where: bonds (distance) C4'-P energy: -19.831 bonds (distance) P-C4' energy: -18.613 flat angles C4'-P-C4' energy: -12.623 flat angles P-C4'-P energy: -12.150 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: 6, replica: 6 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -160.166744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.166744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.166744 (E_RNA) where: Base-Base interactions energy: -79.378 where: short stacking energy: -78.649 Base-Backbone interact. energy: -0.072 local terms energy: -80.715914 where: bonds (distance) C4'-P energy: -16.980 bonds (distance) P-C4' energy: -16.204 flat angles C4'-P-C4' energy: -17.655 flat angles P-C4'-P energy: -12.622 tors. eta vs tors. theta energy: -17.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -148.195497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.195497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.195497 (E_RNA) where: Base-Base interactions energy: -70.803 where: short stacking energy: -70.803 Base-Backbone interact. energy: -0.446 local terms energy: -76.946134 where: bonds (distance) C4'-P energy: -11.981 bonds (distance) P-C4' energy: -17.522 flat angles C4'-P-C4' energy: -16.110 flat angles P-C4'-P energy: -12.033 tors. eta vs tors. theta energy: -19.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -129.188640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.188640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.188640 (E_RNA) where: Base-Base interactions energy: -63.888 where: short stacking energy: -63.888 Base-Backbone interact. energy: -0.050 local terms energy: -65.251395 where: bonds (distance) C4'-P energy: -17.360 bonds (distance) P-C4' energy: -18.356 flat angles C4'-P-C4' energy: -17.208 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -8.728 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: 1 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -131.914223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.914223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.914223 (E_RNA) where: Base-Base interactions energy: -60.280 where: short stacking energy: -60.280 Base-Backbone interact. energy: -0.189 local terms energy: -71.444982 where: bonds (distance) C4'-P energy: -17.507 bonds (distance) P-C4' energy: -19.626 flat angles C4'-P-C4' energy: -17.478 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -11.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -103.529959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.529959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.529959 (E_RNA) where: Base-Base interactions energy: -43.253 where: short stacking energy: -43.253 Base-Backbone interact. energy: -0.367 local terms energy: -59.910464 where: bonds (distance) C4'-P energy: -14.937 bonds (distance) P-C4' energy: -15.652 flat angles C4'-P-C4' energy: -19.014 flat angles P-C4'-P energy: -12.081 tors. eta vs tors. theta energy: 1.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -194.031006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.031006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.031006 (E_RNA) where: Base-Base interactions energy: -102.598 where: short stacking energy: -102.598 Base-Backbone interact. energy: -0.281 local terms energy: -91.152829 where: bonds (distance) C4'-P energy: -16.531 bonds (distance) P-C4' energy: -20.771 flat angles C4'-P-C4' energy: -22.909 flat angles P-C4'-P energy: -9.937 tors. eta vs tors. theta energy: -21.005 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: 2 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -213.673364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.673364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.673364 (E_RNA) where: Base-Base interactions energy: -112.104 where: short stacking energy: -112.104 Base-Backbone interact. energy: -0.422 local terms energy: -101.147153 where: bonds (distance) C4'-P energy: -17.192 bonds (distance) P-C4' energy: -21.768 flat angles C4'-P-C4' energy: -20.881 flat angles P-C4'-P energy: -14.408 tors. eta vs tors. theta energy: -26.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -205.572472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.572472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.572472 (E_RNA) where: Base-Base interactions energy: -114.002 where: short stacking energy: -114.002 Base-Backbone interact. energy: -0.001 local terms energy: -91.569417 where: bonds (distance) C4'-P energy: -18.320 bonds (distance) P-C4' energy: -15.458 flat angles C4'-P-C4' energy: -21.055 flat angles P-C4'-P energy: -12.282 tors. eta vs tors. theta energy: -24.454 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: 4, replica: 5 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -182.129671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.129671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.129671 (E_RNA) where: Base-Base interactions energy: -92.619 where: short stacking energy: -92.619 Base-Backbone interact. energy: -0.036 local terms energy: -89.474214 where: bonds (distance) C4'-P energy: -20.666 bonds (distance) P-C4' energy: -13.707 flat angles C4'-P-C4' energy: -21.166 flat angles P-C4'-P energy: -13.626 tors. eta vs tors. theta energy: -20.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -166.330524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.330524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.330524 (E_RNA) where: Base-Base interactions energy: -88.559 where: short stacking energy: -88.215 Base-Backbone interact. energy: 0.412 local terms energy: -78.183240 where: bonds (distance) C4'-P energy: -14.963 bonds (distance) P-C4' energy: -17.417 flat angles C4'-P-C4' energy: -17.834 flat angles P-C4'-P energy: -9.810 tors. eta vs tors. theta energy: -18.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -153.122534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.122534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.122534 (E_RNA) where: Base-Base interactions energy: -77.464 where: short stacking energy: -77.464 Base-Backbone interact. energy: -0.200 local terms energy: -75.458158 where: bonds (distance) C4'-P energy: -15.512 bonds (distance) P-C4' energy: -17.363 flat angles C4'-P-C4' energy: -18.034 flat angles P-C4'-P energy: -11.264 tors. eta vs tors. theta energy: -13.285 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: 8 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -138.131266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.131266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.131266 (E_RNA) where: Base-Base interactions energy: -67.348 where: short stacking energy: -67.348 Base-Backbone interact. energy: 0.472 local terms energy: -71.255649 where: bonds (distance) C4'-P energy: -12.859 bonds (distance) P-C4' energy: -14.065 flat angles C4'-P-C4' energy: -19.080 flat angles P-C4'-P energy: -13.057 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: 8, replica: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -126.652845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.652845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.652845 (E_RNA) where: Base-Base interactions energy: -63.578 where: short stacking energy: -63.578 Base-Backbone interact. energy: -0.876 local terms energy: -62.199094 where: bonds (distance) C4'-P energy: -12.156 bonds (distance) P-C4' energy: -13.782 flat angles C4'-P-C4' energy: -17.242 flat angles P-C4'-P energy: -10.050 tors. eta vs tors. theta energy: -8.969 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: 9, replica: 3 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -132.094225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.094225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.094225 (E_RNA) where: Base-Base interactions energy: -68.978 where: short stacking energy: -67.850 Base-Backbone interact. energy: -0.045 local terms energy: -63.070567 where: bonds (distance) C4'-P energy: -12.101 bonds (distance) P-C4' energy: -15.085 flat angles C4'-P-C4' energy: -15.425 flat angles P-C4'-P energy: -8.162 tors. eta vs tors. theta energy: -12.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -133.984555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.984555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.984555 (E_RNA) where: Base-Base interactions energy: -70.045 where: short stacking energy: -70.045 Base-Backbone interact. energy: -0.098 local terms energy: -63.842285 where: bonds (distance) C4'-P energy: -15.838 bonds (distance) P-C4' energy: -11.855 flat angles C4'-P-C4' energy: -15.693 flat angles P-C4'-P energy: -7.315 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: 1, replica: 2 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -209.490085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.490085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.490085 (E_RNA) where: Base-Base interactions energy: -116.601 where: short stacking energy: -116.601 Base-Backbone interact. energy: -0.002 local terms energy: -92.886863 where: bonds (distance) C4'-P energy: -18.145 bonds (distance) P-C4' energy: -18.887 flat angles C4'-P-C4' energy: -20.311 flat angles P-C4'-P energy: -13.011 tors. eta vs tors. theta energy: -22.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -186.864747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.864747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.864747 (E_RNA) where: Base-Base interactions energy: -98.888 where: short stacking energy: -98.888 Base-Backbone interact. energy: -0.052 local terms energy: -87.925168 where: bonds (distance) C4'-P energy: -17.082 bonds (distance) P-C4' energy: -21.184 flat angles C4'-P-C4' energy: -21.901 flat angles P-C4'-P energy: -8.005 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: 3, replica: 4 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -191.350271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.350271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.350271 (E_RNA) where: Base-Base interactions energy: -103.173 where: short stacking energy: -103.173 Base-Backbone interact. energy: -0.033 local terms energy: -88.144061 where: bonds (distance) C4'-P energy: -20.521 bonds (distance) P-C4' energy: -19.029 flat angles C4'-P-C4' energy: -16.317 flat angles P-C4'-P energy: -13.194 tors. eta vs tors. theta energy: -19.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -168.556387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.556387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.556387 (E_RNA) where: Base-Base interactions energy: -82.598 where: short stacking energy: -82.598 Base-Backbone interact. energy: -0.016 local terms energy: -85.941771 where: bonds (distance) C4'-P energy: -19.004 bonds (distance) P-C4' energy: -18.051 flat angles C4'-P-C4' energy: -20.708 flat angles P-C4'-P energy: -10.440 tors. eta vs tors. theta energy: -17.739 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: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -158.945524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.945524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.945524 (E_RNA) where: Base-Base interactions energy: -80.671 where: short stacking energy: -80.671 Base-Backbone interact. energy: -0.057 local terms energy: -78.217865 where: bonds (distance) C4'-P energy: -12.082 bonds (distance) P-C4' energy: -19.292 flat angles C4'-P-C4' energy: -17.176 flat angles P-C4'-P energy: -15.277 tors. eta vs tors. theta energy: -14.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -168.420342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.420342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.420342 (E_RNA) where: Base-Base interactions energy: -88.758 where: short stacking energy: -88.758 Base-Backbone interact. energy: -0.076 local terms energy: -79.585755 where: bonds (distance) C4'-P energy: -10.576 bonds (distance) P-C4' energy: -16.799 flat angles C4'-P-C4' energy: -18.517 flat angles P-C4'-P energy: -15.490 tors. eta vs tors. theta energy: -18.204 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: 1 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -132.822361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.822361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.822361 (E_RNA) where: Base-Base interactions energy: -65.731 where: short stacking energy: -65.892 Base-Backbone interact. energy: -0.527 local terms energy: -66.564620 where: bonds (distance) C4'-P energy: -16.954 bonds (distance) P-C4' energy: -17.440 flat angles C4'-P-C4' energy: -17.167 flat angles P-C4'-P energy: -5.712 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: 8, replica: 8 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -125.026092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.026092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.026092 (E_RNA) where: Base-Base interactions energy: -59.622 where: short stacking energy: -59.540 Base-Backbone interact. energy: -0.469 local terms energy: -64.935911 where: bonds (distance) C4'-P energy: -12.458 bonds (distance) P-C4' energy: -22.234 flat angles C4'-P-C4' energy: -13.957 flat angles P-C4'-P energy: -8.755 tors. eta vs tors. theta energy: -7.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -134.456277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.456277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.456277 (E_RNA) where: Base-Base interactions energy: -61.123 where: short stacking energy: -60.842 Base-Backbone interact. energy: -0.141 local terms energy: -73.193030 where: bonds (distance) C4'-P energy: -16.701 bonds (distance) P-C4' energy: -16.627 flat angles C4'-P-C4' energy: -17.706 flat angles P-C4'-P energy: -10.339 tors. eta vs tors. theta energy: -11.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -119.837197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.837197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.837197 (E_RNA) where: Base-Base interactions energy: -52.295 where: short stacking energy: -52.295 Base-Backbone interact. energy: -0.050 local terms energy: -67.491754 where: bonds (distance) C4'-P energy: -14.783 bonds (distance) P-C4' energy: -17.796 flat angles C4'-P-C4' energy: -16.191 flat angles P-C4'-P energy: -11.269 tors. eta vs tors. theta energy: -7.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -211.219289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.219289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.219289 (E_RNA) where: Base-Base interactions energy: -112.966 where: short stacking energy: -112.966 Base-Backbone interact. energy: -0.004 local terms energy: -98.249723 where: bonds (distance) C4'-P energy: -18.551 bonds (distance) P-C4' energy: -21.765 flat angles C4'-P-C4' energy: -17.409 flat angles P-C4'-P energy: -13.046 tors. eta vs tors. theta energy: -27.479 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: 4 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -209.677758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.677758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.677758 (E_RNA) where: Base-Base interactions energy: -112.950 where: short stacking energy: -112.950 Base-Backbone interact. energy: -0.006 local terms energy: -96.721815 where: bonds (distance) C4'-P energy: -19.415 bonds (distance) P-C4' energy: -21.613 flat angles C4'-P-C4' energy: -18.107 flat angles P-C4'-P energy: -12.677 tors. eta vs tors. theta energy: -24.911 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: 9 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -191.692366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.692366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.692366 (E_RNA) where: Base-Base interactions energy: -94.864 where: short stacking energy: -94.864 Base-Backbone interact. energy: -0.015 local terms energy: -96.813066 where: bonds (distance) C4'-P energy: -15.664 bonds (distance) P-C4' energy: -22.684 flat angles C4'-P-C4' energy: -20.723 flat angles P-C4'-P energy: -14.080 tors. eta vs tors. theta energy: -23.663 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: 6 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -173.626074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.626074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.626074 (E_RNA) where: Base-Base interactions energy: -86.542 where: short stacking energy: -86.542 Base-Backbone interact. energy: -0.004 local terms energy: -87.080591 where: bonds (distance) C4'-P energy: -15.398 bonds (distance) P-C4' energy: -19.246 flat angles C4'-P-C4' energy: -19.244 flat angles P-C4'-P energy: -14.624 tors. eta vs tors. theta energy: -18.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -155.942556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.942556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.942556 (E_RNA) where: Base-Base interactions energy: -82.678 where: short stacking energy: -82.678 Base-Backbone interact. energy: -0.101 local terms energy: -73.163443 where: bonds (distance) C4'-P energy: -14.279 bonds (distance) P-C4' energy: -14.813 flat angles C4'-P-C4' energy: -18.636 flat angles P-C4'-P energy: -15.554 tors. eta vs tors. theta energy: -9.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -155.933637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.933637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.933637 (E_RNA) where: Base-Base interactions energy: -78.987 where: short stacking energy: -79.487 Base-Backbone interact. energy: -0.019 local terms energy: -76.927900 where: bonds (distance) C4'-P energy: -18.616 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -13.116 flat angles P-C4'-P energy: -15.001 tors. eta vs tors. theta energy: -15.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -140.862080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.862080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.862080 (E_RNA) where: Base-Base interactions energy: -70.073 where: short stacking energy: -70.073 Base-Backbone interact. energy: -0.031 local terms energy: -70.758588 where: bonds (distance) C4'-P energy: -17.764 bonds (distance) P-C4' energy: -16.505 flat angles C4'-P-C4' energy: -17.166 flat angles P-C4'-P energy: -7.126 tors. eta vs tors. theta energy: -12.196 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: 7 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -136.681156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.681156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.681156 (E_RNA) where: Base-Base interactions energy: -66.547 where: short stacking energy: -66.547 Base-Backbone interact. energy: 0.972 local terms energy: -71.106437 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -18.583 flat angles C4'-P-C4' energy: -14.583 flat angles P-C4'-P energy: -9.357 tors. eta vs tors. theta energy: -13.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -123.286791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.286791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.286791 (E_RNA) where: Base-Base interactions energy: -55.853 where: short stacking energy: -54.645 Base-Backbone interact. energy: -0.162 local terms energy: -67.271408 where: bonds (distance) C4'-P energy: -16.754 bonds (distance) P-C4' energy: -17.675 flat angles C4'-P-C4' energy: -16.824 flat angles P-C4'-P energy: -9.894 tors. eta vs tors. theta energy: -6.125 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: 3 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -110.304087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.304087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.304087 (E_RNA) where: Base-Base interactions energy: -43.823 where: short stacking energy: -41.869 Base-Backbone interact. energy: 0.720 local terms energy: -67.201258 where: bonds (distance) C4'-P energy: -15.180 bonds (distance) P-C4' energy: -20.859 flat angles C4'-P-C4' energy: -14.167 flat angles P-C4'-P energy: -11.634 tors. eta vs tors. theta energy: -5.361 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: 2 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -216.681677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.681677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.681677 (E_RNA) where: Base-Base interactions energy: -117.428 where: short stacking energy: -117.428 Base-Backbone interact. energy: 0.274 local terms energy: -99.527358 where: bonds (distance) C4'-P energy: -16.225 bonds (distance) P-C4' energy: -21.279 flat angles C4'-P-C4' energy: -20.391 flat angles P-C4'-P energy: -12.215 tors. eta vs tors. theta energy: -29.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -198.617585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.617585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.617585 (E_RNA) where: Base-Base interactions energy: -106.034 where: short stacking energy: -105.380 Base-Backbone interact. energy: -0.171 local terms energy: -92.412623 where: bonds (distance) C4'-P energy: -17.980 bonds (distance) P-C4' energy: -17.515 flat angles C4'-P-C4' energy: -21.176 flat angles P-C4'-P energy: -12.820 tors. eta vs tors. theta energy: -22.922 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: 6 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -180.640165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.640165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.640165 (E_RNA) where: Base-Base interactions energy: -96.081 where: short stacking energy: -96.081 Base-Backbone interact. energy: -0.054 local terms energy: -84.504576 where: bonds (distance) C4'-P energy: -16.303 bonds (distance) P-C4' energy: -17.729 flat angles C4'-P-C4' energy: -17.645 flat angles P-C4'-P energy: -15.552 tors. eta vs tors. theta energy: -17.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -187.382374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.382374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.382374 (E_RNA) where: Base-Base interactions energy: -105.340 where: short stacking energy: -105.340 Base-Backbone interact. energy: -0.002 local terms energy: -82.039639 where: bonds (distance) C4'-P energy: -13.651 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -19.714 flat angles P-C4'-P energy: -13.596 tors. eta vs tors. theta energy: -21.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -166.424544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.424544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.424544 (E_RNA) where: Base-Base interactions energy: -84.779 where: short stacking energy: -83.282 Base-Backbone interact. energy: -0.163 local terms energy: -81.483329 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -20.290 flat angles C4'-P-C4' energy: -16.229 flat angles P-C4'-P energy: -14.657 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: 6, replica: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -145.808544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.808544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.808544 (E_RNA) where: Base-Base interactions energy: -66.226 where: short stacking energy: -66.226 Base-Backbone interact. energy: -0.204 local terms energy: -79.379165 where: bonds (distance) C4'-P energy: -14.658 bonds (distance) P-C4' energy: -19.249 flat angles C4'-P-C4' energy: -20.369 flat angles P-C4'-P energy: -11.602 tors. eta vs tors. theta energy: -13.501 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: 7 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -126.934372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.934372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.934372 (E_RNA) where: Base-Base interactions energy: -53.101 where: short stacking energy: -52.701 Base-Backbone interact. energy: -0.432 local terms energy: -73.401231 where: bonds (distance) C4'-P energy: -17.825 bonds (distance) P-C4' energy: -18.858 flat angles C4'-P-C4' energy: -16.918 flat angles P-C4'-P energy: -11.383 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: 8, replica: 10 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -142.582806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.582806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.582806 (E_RNA) where: Base-Base interactions energy: -69.568 where: short stacking energy: -69.568 Base-Backbone interact. energy: -0.019 local terms energy: -72.996050 where: bonds (distance) C4'-P energy: -12.992 bonds (distance) P-C4' energy: -15.954 flat angles C4'-P-C4' energy: -17.237 flat angles P-C4'-P energy: -14.324 tors. eta vs tors. theta energy: -12.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -116.783291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.783291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.783291 (E_RNA) where: Base-Base interactions energy: -54.467 where: short stacking energy: -51.923 Base-Backbone interact. energy: -0.233 local terms energy: -62.083084 where: bonds (distance) C4'-P energy: -18.783 bonds (distance) P-C4' energy: -17.275 flat angles C4'-P-C4' energy: -19.647 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: -0.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -105.082578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.082578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.082578 (E_RNA) where: Base-Base interactions energy: -52.593 where: short stacking energy: -52.154 Base-Backbone interact. energy: -0.124 local terms energy: -52.365789 where: bonds (distance) C4'-P energy: -14.430 bonds (distance) P-C4' energy: -17.696 flat angles C4'-P-C4' energy: -7.637 flat angles P-C4'-P energy: -6.166 tors. eta vs tors. theta energy: -6.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -213.839793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.839793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.839793 (E_RNA) where: Base-Base interactions energy: -116.645 where: short stacking energy: -116.645 Base-Backbone interact. energy: -0.067 local terms energy: -97.128066 where: bonds (distance) C4'-P energy: -18.783 bonds (distance) P-C4' energy: -20.373 flat angles C4'-P-C4' energy: -17.936 flat angles P-C4'-P energy: -12.884 tors. eta vs tors. theta energy: -27.153 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: 255 Temperature: 0.950000 Total energy: -173.076821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.076821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.076821 (E_RNA) where: Base-Base interactions energy: -91.867 where: short stacking energy: -91.867 Base-Backbone interact. energy: -0.587 local terms energy: -80.622858 where: bonds (distance) C4'-P energy: -20.256 bonds (distance) P-C4' energy: -17.399 flat angles C4'-P-C4' energy: -19.082 flat angles P-C4'-P energy: -7.456 tors. eta vs tors. theta energy: -16.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -185.185953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.185953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.185953 (E_RNA) where: Base-Base interactions energy: -89.805 where: short stacking energy: -89.805 Base-Backbone interact. energy: -0.036 local terms energy: -95.344559 where: bonds (distance) C4'-P energy: -18.025 bonds (distance) P-C4' energy: -18.921 flat angles C4'-P-C4' energy: -20.977 flat angles P-C4'-P energy: -14.178 tors. eta vs tors. theta energy: -23.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -172.266316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.266316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.266316 (E_RNA) where: Base-Base interactions energy: -84.506 where: short stacking energy: -84.506 Base-Backbone interact. energy: -0.521 local terms energy: -87.239779 where: bonds (distance) C4'-P energy: -18.792 bonds (distance) P-C4' energy: -21.618 flat angles C4'-P-C4' energy: -18.504 flat angles P-C4'-P energy: -11.768 tors. eta vs tors. theta energy: -16.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -159.113266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.113266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.113266 (E_RNA) where: Base-Base interactions energy: -74.744 where: short stacking energy: -74.744 Base-Backbone interact. energy: -0.070 local terms energy: -84.299427 where: bonds (distance) C4'-P energy: -16.713 bonds (distance) P-C4' energy: -18.752 flat angles C4'-P-C4' energy: -17.889 flat angles P-C4'-P energy: -10.733 tors. eta vs tors. theta energy: -20.213 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: 255 Temperature: 1.150000 Total energy: -146.222519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.222519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.222519 (E_RNA) where: Base-Base interactions energy: -66.960 where: short stacking energy: -66.960 Base-Backbone interact. energy: -1.652 local terms energy: -77.610327 where: bonds (distance) C4'-P energy: -17.345 bonds (distance) P-C4' energy: -13.555 flat angles C4'-P-C4' energy: -21.185 flat angles P-C4'-P energy: -12.276 tors. eta vs tors. theta energy: -13.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -149.577822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.577822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.577822 (E_RNA) where: Base-Base interactions energy: -83.838 where: short stacking energy: -83.838 Base-Backbone interact. energy: -0.147 local terms energy: -65.593134 where: bonds (distance) C4'-P energy: -11.784 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -14.738 flat angles P-C4'-P energy: -12.177 tors. eta vs tors. theta energy: -11.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -128.948802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.948802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.948802 (E_RNA) where: Base-Base interactions energy: -66.648 where: short stacking energy: -63.843 Base-Backbone interact. energy: -0.390 local terms energy: -61.910892 where: bonds (distance) C4'-P energy: -18.518 bonds (distance) P-C4' energy: -14.205 flat angles C4'-P-C4' energy: -8.073 flat angles P-C4'-P energy: -11.713 tors. eta vs tors. theta energy: -9.402 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: 3 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -121.527984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.527984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.527984 (E_RNA) where: Base-Base interactions energy: -55.512 where: short stacking energy: -54.265 Base-Backbone interact. energy: -0.580 local terms energy: -65.435383 where: bonds (distance) C4'-P energy: -18.621 bonds (distance) P-C4' energy: -17.802 flat angles C4'-P-C4' energy: -14.844 flat angles P-C4'-P energy: -11.113 tors. eta vs tors. theta energy: -3.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -124.002012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.002012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.002012 (E_RNA) where: Base-Base interactions energy: -56.983 where: short stacking energy: -56.983 Base-Backbone interact. energy: -0.082 local terms energy: -66.937163 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -18.119 flat angles C4'-P-C4' energy: -17.232 flat angles P-C4'-P energy: -6.910 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: 1, replica: 6 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -204.355899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.355899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.355899 (E_RNA) where: Base-Base interactions energy: -110.810 where: short stacking energy: -110.810 Base-Backbone interact. energy: -0.016 local terms energy: -93.530158 where: bonds (distance) C4'-P energy: -16.733 bonds (distance) P-C4' energy: -18.238 flat angles C4'-P-C4' energy: -17.018 flat angles P-C4'-P energy: -16.452 tors. eta vs tors. theta energy: -25.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -216.158012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.158012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.158012 (E_RNA) where: Base-Base interactions energy: -114.656 where: short stacking energy: -114.656 Base-Backbone interact. energy: -0.000 local terms energy: -101.502380 where: bonds (distance) C4'-P energy: -17.268 bonds (distance) P-C4' energy: -20.297 flat angles C4'-P-C4' energy: -22.373 flat angles P-C4'-P energy: -13.032 tors. eta vs tors. theta energy: -28.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -190.946782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.946782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.946782 (E_RNA) where: Base-Base interactions energy: -104.086 where: short stacking energy: -104.086 Base-Backbone interact. energy: 1.499 local terms energy: -88.359425 where: bonds (distance) C4'-P energy: -20.737 bonds (distance) P-C4' energy: -17.108 flat angles C4'-P-C4' energy: -18.526 flat angles P-C4'-P energy: -11.825 tors. eta vs tors. theta energy: -20.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -160.568967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.568967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.568967 (E_RNA) where: Base-Base interactions energy: -81.811 where: short stacking energy: -81.811 Base-Backbone interact. energy: -0.081 local terms energy: -78.677331 where: bonds (distance) C4'-P energy: -19.610 bonds (distance) P-C4' energy: -17.303 flat angles C4'-P-C4' energy: -17.138 flat angles P-C4'-P energy: -10.848 tors. eta vs tors. theta energy: -13.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -168.509174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.509174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.509174 (E_RNA) where: Base-Base interactions energy: -93.350 where: short stacking energy: -93.350 Base-Backbone interact. energy: -0.162 local terms energy: -74.997327 where: bonds (distance) C4'-P energy: -15.930 bonds (distance) P-C4' energy: -14.925 flat angles C4'-P-C4' energy: -17.092 flat angles P-C4'-P energy: -11.905 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: 6, replica: 9 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -153.346878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.346878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.346878 (E_RNA) where: Base-Base interactions energy: -80.828 where: short stacking energy: -80.828 Base-Backbone interact. energy: -0.000 local terms energy: -72.518896 where: bonds (distance) C4'-P energy: -16.783 bonds (distance) P-C4' energy: -20.483 flat angles C4'-P-C4' energy: -17.456 flat angles P-C4'-P energy: -7.571 tors. eta vs tors. theta energy: -10.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -132.089718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.089718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.089718 (E_RNA) where: Base-Base interactions energy: -65.861 where: short stacking energy: -65.861 Base-Backbone interact. energy: -0.067 local terms energy: -66.160938 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -15.412 flat angles C4'-P-C4' energy: -15.785 flat angles P-C4'-P energy: -10.810 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: 8, replica: 5 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -131.875166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.875166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.875166 (E_RNA) where: Base-Base interactions energy: -62.474 where: short stacking energy: -62.474 Base-Backbone interact. energy: -0.076 local terms energy: -69.325288 where: bonds (distance) C4'-P energy: -16.145 bonds (distance) P-C4' energy: -21.007 flat angles C4'-P-C4' energy: -14.120 flat angles P-C4'-P energy: -8.132 tors. eta vs tors. theta energy: -9.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -115.928350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.928350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.928350 (E_RNA) where: Base-Base interactions energy: -50.760 where: short stacking energy: -48.954 Base-Backbone interact. energy: -0.241 local terms energy: -64.926525 where: bonds (distance) C4'-P energy: -19.759 bonds (distance) P-C4' energy: -19.457 flat angles C4'-P-C4' energy: -15.223 flat angles P-C4'-P energy: -8.298 tors. eta vs tors. theta energy: -2.190 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: 256 Temperature: 1.350000 Total energy: -98.872700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.872700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.872700 (E_RNA) where: Base-Base interactions energy: -44.280 where: short stacking energy: -40.779 Base-Backbone interact. energy: -0.414 local terms energy: -54.178999 where: bonds (distance) C4'-P energy: -14.362 bonds (distance) P-C4' energy: -14.513 flat angles C4'-P-C4' energy: -14.982 flat angles P-C4'-P energy: -8.853 tors. eta vs tors. theta energy: -1.470 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: 6 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -194.488039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.488039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.488039 (E_RNA) where: Base-Base interactions energy: -106.514 where: short stacking energy: -106.514 Base-Backbone interact. energy: -0.063 local terms energy: -87.910331 where: bonds (distance) C4'-P energy: -20.898 bonds (distance) P-C4' energy: -19.387 flat angles C4'-P-C4' energy: -19.766 flat angles P-C4'-P energy: -9.010 tors. eta vs tors. theta energy: -18.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -206.748199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.748199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.748199 (E_RNA) where: Base-Base interactions energy: -110.542 where: short stacking energy: -110.542 Base-Backbone interact. energy: -0.672 local terms energy: -95.534682 where: bonds (distance) C4'-P energy: -16.179 bonds (distance) P-C4' energy: -19.647 flat angles C4'-P-C4' energy: -16.380 flat angles P-C4'-P energy: -15.985 tors. eta vs tors. theta energy: -27.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -203.333966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.333966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.333966 (E_RNA) where: Base-Base interactions energy: -106.811 where: short stacking energy: -105.338 Base-Backbone interact. energy: -0.005 local terms energy: -96.518421 where: bonds (distance) C4'-P energy: -16.721 bonds (distance) P-C4' energy: -18.804 flat angles C4'-P-C4' energy: -18.787 flat angles P-C4'-P energy: -16.452 tors. eta vs tors. theta energy: -25.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -171.509016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.509016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.509016 (E_RNA) where: Base-Base interactions energy: -92.542 where: short stacking energy: -92.542 Base-Backbone interact. energy: -0.014 local terms energy: -78.953902 where: bonds (distance) C4'-P energy: -7.659 bonds (distance) P-C4' energy: -21.539 flat angles C4'-P-C4' energy: -17.725 flat angles P-C4'-P energy: -13.021 tors. eta vs tors. theta energy: -19.011 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: 5, replica: 1 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -164.189706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.189706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.189706 (E_RNA) where: Base-Base interactions energy: -82.584 where: short stacking energy: -82.584 Base-Backbone interact. energy: -0.889 local terms energy: -80.716480 where: bonds (distance) C4'-P energy: -20.005 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -16.671 flat angles P-C4'-P energy: -11.538 tors. eta vs tors. theta energy: -17.766 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: 257 Temperature: 1.150000 Total energy: -154.939759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.939759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.939759 (E_RNA) where: Base-Base interactions energy: -79.860 where: short stacking energy: -77.960 Base-Backbone interact. energy: 0.134 local terms energy: -75.214249 where: bonds (distance) C4'-P energy: -14.082 bonds (distance) P-C4' energy: -18.489 flat angles C4'-P-C4' energy: -13.556 flat angles P-C4'-P energy: -13.031 tors. eta vs tors. theta energy: -16.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -149.796914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.796914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.796914 (E_RNA) where: Base-Base interactions energy: -81.508 where: short stacking energy: -81.508 Base-Backbone interact. energy: -0.160 local terms energy: -68.128627 where: bonds (distance) C4'-P energy: -13.360 bonds (distance) P-C4' energy: -13.686 flat angles C4'-P-C4' energy: -14.648 flat angles P-C4'-P energy: -12.255 tors. eta vs tors. theta energy: -14.180 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: 8 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -142.022175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.022175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.022175 (E_RNA) where: Base-Base interactions energy: -67.091 where: short stacking energy: -67.091 Base-Backbone interact. energy: 0.863 local terms energy: -75.793727 where: bonds (distance) C4'-P energy: -14.229 bonds (distance) P-C4' energy: -20.433 flat angles C4'-P-C4' energy: -19.569 flat angles P-C4'-P energy: -10.966 tors. eta vs tors. theta energy: -10.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -132.929776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.929776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.929776 (E_RNA) where: Base-Base interactions energy: -61.506 where: short stacking energy: -61.211 Base-Backbone interact. energy: -0.115 local terms energy: -71.308690 where: bonds (distance) C4'-P energy: -15.936 bonds (distance) P-C4' energy: -19.048 flat angles C4'-P-C4' energy: -20.421 flat angles P-C4'-P energy: -7.711 tors. eta vs tors. theta energy: -8.193 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: 3 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -115.533891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.533891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.533891 (E_RNA) where: Base-Base interactions energy: -56.854 where: short stacking energy: -56.854 Base-Backbone interact. energy: -0.230 local terms energy: -58.449784 where: bonds (distance) C4'-P energy: -15.118 bonds (distance) P-C4' energy: -12.057 flat angles C4'-P-C4' energy: -17.789 flat angles P-C4'-P energy: -8.674 tors. eta vs tors. theta energy: -4.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -215.179156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.179156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.179156 (E_RNA) where: Base-Base interactions energy: -113.608 where: short stacking energy: -113.608 Base-Backbone interact. energy: -0.040 local terms energy: -101.530660 where: bonds (distance) C4'-P energy: -21.945 bonds (distance) P-C4' energy: -20.770 flat angles C4'-P-C4' energy: -20.147 flat angles P-C4'-P energy: -13.728 tors. eta vs tors. theta energy: -24.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -192.415215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.415215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.415215 (E_RNA) where: Base-Base interactions energy: -99.683 where: short stacking energy: -99.683 Base-Backbone interact. energy: -0.113 local terms energy: -92.619215 where: bonds (distance) C4'-P energy: -15.161 bonds (distance) P-C4' energy: -19.480 flat angles C4'-P-C4' energy: -22.379 flat angles P-C4'-P energy: -12.872 tors. eta vs tors. theta energy: -22.726 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: 4 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -188.537250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.537250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.537250 (E_RNA) where: Base-Base interactions energy: -100.983 where: short stacking energy: -100.983 Base-Backbone interact. energy: -0.411 local terms energy: -87.143842 where: bonds (distance) C4'-P energy: -15.371 bonds (distance) P-C4' energy: -17.303 flat angles C4'-P-C4' energy: -21.679 flat angles P-C4'-P energy: -10.069 tors. eta vs tors. theta energy: -22.722 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: 4, replica: 7 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -179.034895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.034895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.034895 (E_RNA) where: Base-Base interactions energy: -92.741 where: short stacking energy: -92.741 Base-Backbone interact. energy: -0.757 local terms energy: -85.536753 where: bonds (distance) C4'-P energy: -17.077 bonds (distance) P-C4' energy: -19.253 flat angles C4'-P-C4' energy: -20.628 flat angles P-C4'-P energy: -12.308 tors. eta vs tors. theta energy: -16.272 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: 1 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -156.828159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.828159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.828159 (E_RNA) where: Base-Base interactions energy: -81.553 where: short stacking energy: -81.553 Base-Backbone interact. energy: -0.420 local terms energy: -74.855164 where: bonds (distance) C4'-P energy: -20.858 bonds (distance) P-C4' energy: -11.621 flat angles C4'-P-C4' energy: -18.053 flat angles P-C4'-P energy: -9.407 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: 6, replica: 9 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -174.303193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.303193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.303193 (E_RNA) where: Base-Base interactions energy: -104.040 where: short stacking energy: -104.040 Base-Backbone interact. energy: -0.004 local terms energy: -70.259200 where: bonds (distance) C4'-P energy: -16.643 bonds (distance) P-C4' energy: -9.157 flat angles C4'-P-C4' energy: -12.563 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -25.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -153.816490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.816490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.816490 (E_RNA) where: Base-Base interactions energy: -74.129 where: short stacking energy: -72.205 Base-Backbone interact. energy: -2.024 local terms energy: -77.663501 where: bonds (distance) C4'-P energy: -15.889 bonds (distance) P-C4' energy: -17.591 flat angles C4'-P-C4' energy: -14.768 flat angles P-C4'-P energy: -12.541 tors. eta vs tors. theta energy: -16.875 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: 10 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -134.919604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.919604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.919604 (E_RNA) where: Base-Base interactions energy: -68.942 where: short stacking energy: -69.342 Base-Backbone interact. energy: -0.197 local terms energy: -65.780217 where: bonds (distance) C4'-P energy: -10.517 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -17.081 flat angles P-C4'-P energy: -9.124 tors. eta vs tors. theta energy: -13.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -131.751636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.751636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.751636 (E_RNA) where: Base-Base interactions energy: -64.550 where: short stacking energy: -64.550 Base-Backbone interact. energy: -0.003 local terms energy: -67.198678 where: bonds (distance) C4'-P energy: -14.834 bonds (distance) P-C4' energy: -16.455 flat angles C4'-P-C4' energy: -16.034 flat angles P-C4'-P energy: -9.831 tors. eta vs tors. theta energy: -10.045 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: 5 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -118.007073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.007073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.007073 (E_RNA) where: Base-Base interactions energy: -51.183 where: short stacking energy: -51.094 Base-Backbone interact. energy: -0.135 local terms energy: -66.689018 where: bonds (distance) C4'-P energy: -12.036 bonds (distance) P-C4' energy: -19.277 flat angles C4'-P-C4' energy: -14.957 flat angles P-C4'-P energy: -14.360 tors. eta vs tors. theta energy: -6.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -212.727389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.727389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.727389 (E_RNA) where: Base-Base interactions energy: -113.108 where: short stacking energy: -113.108 Base-Backbone interact. energy: -0.003 local terms energy: -99.616157 where: bonds (distance) C4'-P energy: -19.046 bonds (distance) P-C4' energy: -18.572 flat angles C4'-P-C4' energy: -19.343 flat angles P-C4'-P energy: -15.305 tors. eta vs tors. theta energy: -27.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -182.260811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.260811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.260811 (E_RNA) where: Base-Base interactions energy: -97.224 where: short stacking energy: -97.224 Base-Backbone interact. energy: -0.124 local terms energy: -84.911930 where: bonds (distance) C4'-P energy: -15.530 bonds (distance) P-C4' energy: -19.451 flat angles C4'-P-C4' energy: -20.052 flat angles P-C4'-P energy: -10.556 tors. eta vs tors. theta energy: -19.324 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: 4 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -199.473866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.473866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.473866 (E_RNA) where: Base-Base interactions energy: -105.908 where: short stacking energy: -105.908 Base-Backbone interact. energy: -0.020 local terms energy: -93.546145 where: bonds (distance) C4'-P energy: -17.210 bonds (distance) P-C4' energy: -18.193 flat angles C4'-P-C4' energy: -20.866 flat angles P-C4'-P energy: -13.545 tors. eta vs tors. theta energy: -23.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -165.464575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.464575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.464575 (E_RNA) where: Base-Base interactions energy: -90.456 where: short stacking energy: -88.315 Base-Backbone interact. energy: 0.134 local terms energy: -75.142977 where: bonds (distance) C4'-P energy: -15.504 bonds (distance) P-C4' energy: -17.185 flat angles C4'-P-C4' energy: -18.269 flat angles P-C4'-P energy: -12.519 tors. eta vs tors. theta energy: -11.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -172.313897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.313897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.313897 (E_RNA) where: Base-Base interactions energy: -94.282 where: short stacking energy: -94.282 Base-Backbone interact. energy: -0.001 local terms energy: -78.030867 where: bonds (distance) C4'-P energy: -8.272 bonds (distance) P-C4' energy: -17.907 flat angles C4'-P-C4' energy: -14.655 flat angles P-C4'-P energy: -14.979 tors. eta vs tors. theta energy: -22.219 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: 259 Temperature: 1.150000 Total energy: -145.691875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.691875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.691875 (E_RNA) where: Base-Base interactions energy: -74.048 where: short stacking energy: -74.048 Base-Backbone interact. energy: -0.101 local terms energy: -71.543497 where: bonds (distance) C4'-P energy: -14.833 bonds (distance) P-C4' energy: -16.794 flat angles C4'-P-C4' energy: -18.338 flat angles P-C4'-P energy: -8.302 tors. eta vs tors. theta energy: -13.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -161.325877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.325877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.325877 (E_RNA) where: Base-Base interactions energy: -79.604 where: short stacking energy: -80.164 Base-Backbone interact. energy: -0.002 local terms energy: -81.719764 where: bonds (distance) C4'-P energy: -20.061 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -19.593 flat angles P-C4'-P energy: -8.592 tors. eta vs tors. theta energy: -18.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -154.641756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.641756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.641756 (E_RNA) where: Base-Base interactions energy: -77.183 where: short stacking energy: -77.183 Base-Backbone interact. energy: -0.065 local terms energy: -77.394310 where: bonds (distance) C4'-P energy: -11.277 bonds (distance) P-C4' energy: -15.587 flat angles C4'-P-C4' energy: -20.771 flat angles P-C4'-P energy: -14.061 tors. eta vs tors. theta energy: -15.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -114.141173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.141173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.141173 (E_RNA) where: Base-Base interactions energy: -57.346 where: short stacking energy: -57.346 Base-Backbone interact. energy: -0.176 local terms energy: -56.619337 where: bonds (distance) C4'-P energy: -16.123 bonds (distance) P-C4' energy: -17.474 flat angles C4'-P-C4' energy: -13.419 flat angles P-C4'-P energy: -5.090 tors. eta vs tors. theta energy: -4.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -106.565105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.565105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.565105 (E_RNA) where: Base-Base interactions energy: -46.377 where: short stacking energy: -46.377 Base-Backbone interact. energy: 0.238 local terms energy: -60.426215 where: bonds (distance) C4'-P energy: -15.140 bonds (distance) P-C4' energy: -17.485 flat angles C4'-P-C4' energy: -9.815 flat angles P-C4'-P energy: -9.440 tors. eta vs tors. theta energy: -8.546 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: 2 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -212.100217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.100217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.100217 (E_RNA) where: Base-Base interactions energy: -118.922 where: short stacking energy: -118.922 Base-Backbone interact. energy: -0.006 local terms energy: -93.172412 where: bonds (distance) C4'-P energy: -19.702 bonds (distance) P-C4' energy: -15.825 flat angles C4'-P-C4' energy: -19.678 flat angles P-C4'-P energy: -12.538 tors. eta vs tors. theta energy: -25.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -193.784063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.784063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.784063 (E_RNA) where: Base-Base interactions energy: -101.445 where: short stacking energy: -101.445 Base-Backbone interact. energy: -0.297 local terms energy: -92.042626 where: bonds (distance) C4'-P energy: -18.932 bonds (distance) P-C4' energy: -20.246 flat angles C4'-P-C4' energy: -20.866 flat angles P-C4'-P energy: -11.626 tors. eta vs tors. theta energy: -20.372 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: 3, replica: 4 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -206.733331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.733331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.733331 (E_RNA) where: Base-Base interactions energy: -107.507 where: short stacking energy: -107.507 Base-Backbone interact. energy: -0.004 local terms energy: -99.222638 where: bonds (distance) C4'-P energy: -19.644 bonds (distance) P-C4' energy: -19.376 flat angles C4'-P-C4' energy: -20.021 flat angles P-C4'-P energy: -12.958 tors. eta vs tors. theta energy: -27.223 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: 1 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -159.336962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.336962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.336962 (E_RNA) where: Base-Base interactions energy: -81.939 where: short stacking energy: -81.939 Base-Backbone interact. energy: -0.140 local terms energy: -77.258406 where: bonds (distance) C4'-P energy: -17.036 bonds (distance) P-C4' energy: -17.866 flat angles C4'-P-C4' energy: -12.243 flat angles P-C4'-P energy: -14.666 tors. eta vs tors. theta energy: -15.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -170.201396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.201396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.201396 (E_RNA) where: Base-Base interactions energy: -87.817 where: short stacking energy: -87.817 Base-Backbone interact. energy: -0.130 local terms energy: -82.253795 where: bonds (distance) C4'-P energy: -15.773 bonds (distance) P-C4' energy: -18.184 flat angles C4'-P-C4' energy: -20.659 flat angles P-C4'-P energy: -8.311 tors. eta vs tors. theta energy: -19.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -137.878414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.878414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.878414 (E_RNA) where: Base-Base interactions energy: -62.953 where: short stacking energy: -62.953 Base-Backbone interact. energy: 0.239 local terms energy: -75.164596 where: bonds (distance) C4'-P energy: -18.232 bonds (distance) P-C4' energy: -17.073 flat angles C4'-P-C4' energy: -18.191 flat angles P-C4'-P energy: -10.389 tors. eta vs tors. theta energy: -11.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -146.494701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.494701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.494701 (E_RNA) where: Base-Base interactions energy: -72.854 where: short stacking energy: -72.854 Base-Backbone interact. energy: -0.269 local terms energy: -73.371217 where: bonds (distance) C4'-P energy: -17.282 bonds (distance) P-C4' energy: -16.772 flat angles C4'-P-C4' energy: -16.943 flat angles P-C4'-P energy: -8.138 tors. eta vs tors. theta energy: -14.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -163.809259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.809259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.809259 (E_RNA) where: Base-Base interactions energy: -84.922 where: short stacking energy: -84.922 Base-Backbone interact. energy: -0.102 local terms energy: -78.786097 where: bonds (distance) C4'-P energy: -15.438 bonds (distance) P-C4' energy: -15.547 flat angles C4'-P-C4' energy: -16.681 flat angles P-C4'-P energy: -11.151 tors. eta vs tors. theta energy: -19.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -102.947011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.947011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.947011 (E_RNA) where: Base-Base interactions energy: -44.243 where: short stacking energy: -41.899 Base-Backbone interact. energy: -0.332 local terms energy: -58.372115 where: bonds (distance) C4'-P energy: -9.947 bonds (distance) P-C4' energy: -15.607 flat angles C4'-P-C4' energy: -12.038 flat angles P-C4'-P energy: -13.460 tors. eta vs tors. theta energy: -7.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -109.272445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.272445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.272445 (E_RNA) where: Base-Base interactions energy: -59.463 where: short stacking energy: -59.463 Base-Backbone interact. energy: -0.207 local terms energy: -49.602968 where: bonds (distance) C4'-P energy: -13.563 bonds (distance) P-C4' energy: -15.596 flat angles C4'-P-C4' energy: -10.369 flat angles P-C4'-P energy: -1.963 tors. eta vs tors. theta energy: -8.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -211.531286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.531286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.531286 (E_RNA) where: Base-Base interactions energy: -115.459 where: short stacking energy: -115.459 Base-Backbone interact. energy: -0.002 local terms energy: -96.070198 where: bonds (distance) C4'-P energy: -15.433 bonds (distance) P-C4' energy: -20.717 flat angles C4'-P-C4' energy: -21.616 flat angles P-C4'-P energy: -11.791 tors. eta vs tors. theta energy: -26.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -206.661047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.661047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.661047 (E_RNA) where: Base-Base interactions energy: -106.753 where: short stacking energy: -106.753 Base-Backbone interact. energy: -0.021 local terms energy: -99.887040 where: bonds (distance) C4'-P energy: -17.316 bonds (distance) P-C4' energy: -20.516 flat angles C4'-P-C4' energy: -20.029 flat angles P-C4'-P energy: -15.725 tors. eta vs tors. theta energy: -26.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -182.799292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.799292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.799292 (E_RNA) where: Base-Base interactions energy: -97.141 where: short stacking energy: -97.141 Base-Backbone interact. energy: 0.418 local terms energy: -86.077006 where: bonds (distance) C4'-P energy: -14.993 bonds (distance) P-C4' energy: -17.591 flat angles C4'-P-C4' energy: -18.597 flat angles P-C4'-P energy: -13.291 tors. eta vs tors. theta energy: -21.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -174.212449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.212449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.212449 (E_RNA) where: Base-Base interactions energy: -86.823 where: short stacking energy: -86.823 Base-Backbone interact. energy: -0.159 local terms energy: -87.230818 where: bonds (distance) C4'-P energy: -12.878 bonds (distance) P-C4' energy: -21.733 flat angles C4'-P-C4' energy: -20.079 flat angles P-C4'-P energy: -12.721 tors. eta vs tors. theta energy: -19.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -155.429999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.429999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.429999 (E_RNA) where: Base-Base interactions energy: -84.189 where: short stacking energy: -84.189 Base-Backbone interact. energy: -0.009 local terms energy: -71.232173 where: bonds (distance) C4'-P energy: -10.834 bonds (distance) P-C4' energy: -16.538 flat angles C4'-P-C4' energy: -16.696 flat angles P-C4'-P energy: -12.985 tors. eta vs tors. theta energy: -14.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -150.857192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.857192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.857192 (E_RNA) where: Base-Base interactions energy: -76.197 where: short stacking energy: -76.197 Base-Backbone interact. energy: -0.128 local terms energy: -74.532384 where: bonds (distance) C4'-P energy: -16.534 bonds (distance) P-C4' energy: -17.503 flat angles C4'-P-C4' energy: -20.678 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -15.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -128.500986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.500986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.500986 (E_RNA) where: Base-Base interactions energy: -60.578 where: short stacking energy: -60.107 Base-Backbone interact. energy: -2.413 local terms energy: -65.509967 where: bonds (distance) C4'-P energy: -15.525 bonds (distance) P-C4' energy: -17.903 flat angles C4'-P-C4' energy: -16.208 flat angles P-C4'-P energy: -8.250 tors. eta vs tors. theta energy: -7.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -155.647410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.647410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.647410 (E_RNA) where: Base-Base interactions energy: -82.312 where: short stacking energy: -82.312 Base-Backbone interact. energy: -0.275 local terms energy: -73.060040 where: bonds (distance) C4'-P energy: -13.748 bonds (distance) P-C4' energy: -15.511 flat angles C4'-P-C4' energy: -16.938 flat angles P-C4'-P energy: -13.828 tors. eta vs tors. theta energy: -13.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -130.931266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.931266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.931266 (E_RNA) where: Base-Base interactions energy: -64.738 where: short stacking energy: -64.738 Base-Backbone interact. energy: -0.167 local terms energy: -66.026161 where: bonds (distance) C4'-P energy: -8.871 bonds (distance) P-C4' energy: -18.872 flat angles C4'-P-C4' energy: -17.172 flat angles P-C4'-P energy: -11.638 tors. eta vs tors. theta energy: -9.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -103.064391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.064391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.064391 (E_RNA) where: Base-Base interactions energy: -46.244 where: short stacking energy: -46.544 Base-Backbone interact. energy: -0.497 local terms energy: -56.323179 where: bonds (distance) C4'-P energy: -17.294 bonds (distance) P-C4' energy: -10.704 flat angles C4'-P-C4' energy: -14.708 flat angles P-C4'-P energy: -11.529 tors. eta vs tors. theta energy: -2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -206.665933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.665933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.665933 (E_RNA) where: Base-Base interactions energy: -116.000 where: short stacking energy: -116.000 Base-Backbone interact. energy: -0.007 local terms energy: -90.658347 where: bonds (distance) C4'-P energy: -13.882 bonds (distance) P-C4' energy: -15.670 flat angles C4'-P-C4' energy: -20.314 flat angles P-C4'-P energy: -16.995 tors. eta vs tors. theta energy: -23.798 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: 262 Temperature: 0.950000 Total energy: -213.972288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.972288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.972288 (E_RNA) where: Base-Base interactions energy: -113.620 where: short stacking energy: -113.620 Base-Backbone interact. energy: -0.021 local terms energy: -100.331204 where: bonds (distance) C4'-P energy: -18.248 bonds (distance) P-C4' energy: -18.178 flat angles C4'-P-C4' energy: -20.331 flat angles P-C4'-P energy: -17.838 tors. eta vs tors. theta energy: -25.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -182.987162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.987162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.987162 (E_RNA) where: Base-Base interactions energy: -97.030 where: short stacking energy: -97.030 Base-Backbone interact. energy: -0.333 local terms energy: -85.624303 where: bonds (distance) C4'-P energy: -15.973 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -17.496 flat angles P-C4'-P energy: -15.697 tors. eta vs tors. theta energy: -20.313 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: 7 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -180.111563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.111563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.111563 (E_RNA) where: Base-Base interactions energy: -95.535 where: short stacking energy: -95.535 Base-Backbone interact. energy: -0.007 local terms energy: -84.569886 where: bonds (distance) C4'-P energy: -17.492 bonds (distance) P-C4' energy: -13.608 flat angles C4'-P-C4' energy: -20.809 flat angles P-C4'-P energy: -11.138 tors. eta vs tors. theta energy: -21.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -165.209787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.209787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.209787 (E_RNA) where: Base-Base interactions energy: -81.154 where: short stacking energy: -79.365 Base-Backbone interact. energy: -0.688 local terms energy: -83.367863 where: bonds (distance) C4'-P energy: -15.213 bonds (distance) P-C4' energy: -21.043 flat angles C4'-P-C4' energy: -17.659 flat angles P-C4'-P energy: -14.120 tors. eta vs tors. theta energy: -15.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -154.947432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.947432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.947432 (E_RNA) where: Base-Base interactions energy: -88.226 where: short stacking energy: -88.226 Base-Backbone interact. energy: 1.772 local terms energy: -68.493746 where: bonds (distance) C4'-P energy: -9.746 bonds (distance) P-C4' energy: -15.416 flat angles C4'-P-C4' energy: -17.549 flat angles P-C4'-P energy: -11.935 tors. eta vs tors. theta energy: -13.847 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: 5 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -149.930179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.930179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.930179 (E_RNA) where: Base-Base interactions energy: -72.958 where: short stacking energy: -72.958 Base-Backbone interact. energy: -0.136 local terms energy: -76.836743 where: bonds (distance) C4'-P energy: -18.547 bonds (distance) P-C4' energy: -17.992 flat angles C4'-P-C4' energy: -15.687 flat angles P-C4'-P energy: -6.670 tors. eta vs tors. theta energy: -17.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -122.334794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.334794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.334794 (E_RNA) where: Base-Base interactions energy: -61.292 where: short stacking energy: -61.292 Base-Backbone interact. energy: -0.014 local terms energy: -61.029352 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -16.899 flat angles C4'-P-C4' energy: -15.865 flat angles P-C4'-P energy: -7.658 tors. eta vs tors. theta energy: -6.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -116.529091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.529091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.529091 (E_RNA) where: Base-Base interactions energy: -53.271 where: short stacking energy: -52.710 Base-Backbone interact. energy: -0.081 local terms energy: -63.177406 where: bonds (distance) C4'-P energy: -14.928 bonds (distance) P-C4' energy: -19.404 flat angles C4'-P-C4' energy: -12.778 flat angles P-C4'-P energy: -12.590 tors. eta vs tors. theta energy: -3.477 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: 9 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -108.396901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.396901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.396901 (E_RNA) where: Base-Base interactions energy: -56.502 where: short stacking energy: -56.502 Base-Backbone interact. energy: -0.198 local terms energy: -51.697068 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -21.055 flat angles C4'-P-C4' energy: -11.780 flat angles P-C4'-P energy: -10.571 tors. eta vs tors. theta energy: -2.027 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: 263 Temperature: 0.900000 Total energy: -203.099457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.099457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.099457 (E_RNA) where: Base-Base interactions energy: -113.716 where: short stacking energy: -113.716 Base-Backbone interact. energy: -0.078 local terms energy: -89.305509 where: bonds (distance) C4'-P energy: -18.841 bonds (distance) P-C4' energy: -18.597 flat angles C4'-P-C4' energy: -17.434 flat angles P-C4'-P energy: -11.785 tors. eta vs tors. theta energy: -22.650 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: 263 Temperature: 0.950000 Total energy: -182.755101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.755101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.755101 (E_RNA) where: Base-Base interactions energy: -89.164 where: short stacking energy: -89.164 Base-Backbone interact. energy: -0.011 local terms energy: -93.580284 where: bonds (distance) C4'-P energy: -20.990 bonds (distance) P-C4' energy: -17.410 flat angles C4'-P-C4' energy: -19.856 flat angles P-C4'-P energy: -14.540 tors. eta vs tors. theta energy: -20.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -182.618956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.618956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.618956 (E_RNA) where: Base-Base interactions energy: -94.609 where: short stacking energy: -93.914 Base-Backbone interact. energy: -0.285 local terms energy: -87.724268 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -18.583 flat angles C4'-P-C4' energy: -18.782 flat angles P-C4'-P energy: -14.015 tors. eta vs tors. theta energy: -21.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -167.657807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.657807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.657807 (E_RNA) where: Base-Base interactions energy: -85.471 where: short stacking energy: -85.471 Base-Backbone interact. energy: 1.275 local terms energy: -83.461795 where: bonds (distance) C4'-P energy: -16.331 bonds (distance) P-C4' energy: -16.937 flat angles C4'-P-C4' energy: -20.361 flat angles P-C4'-P energy: -11.885 tors. eta vs tors. theta energy: -17.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -169.545924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.545924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.545924 (E_RNA) where: Base-Base interactions energy: -83.013 where: short stacking energy: -83.013 Base-Backbone interact. energy: -0.221 local terms energy: -86.311645 where: bonds (distance) C4'-P energy: -16.604 bonds (distance) P-C4' energy: -17.590 flat angles C4'-P-C4' energy: -21.635 flat angles P-C4'-P energy: -13.600 tors. eta vs tors. theta energy: -16.883 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: 6, replica: 3 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -165.063834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.063834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.063834 (E_RNA) where: Base-Base interactions energy: -84.010 where: short stacking energy: -84.010 Base-Backbone interact. energy: -0.350 local terms energy: -80.703577 where: bonds (distance) C4'-P energy: -16.353 bonds (distance) P-C4' energy: -17.324 flat angles C4'-P-C4' energy: -15.731 flat angles P-C4'-P energy: -13.213 tors. eta vs tors. theta energy: -18.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -126.395612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.395612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.395612 (E_RNA) where: Base-Base interactions energy: -57.587 where: short stacking energy: -58.987 Base-Backbone interact. energy: 0.551 local terms energy: -69.359763 where: bonds (distance) C4'-P energy: -13.798 bonds (distance) P-C4' energy: -16.678 flat angles C4'-P-C4' energy: -19.505 flat angles P-C4'-P energy: -7.773 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: 8, replica: 10 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -132.028931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.028931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.028931 (E_RNA) where: Base-Base interactions energy: -62.258 where: short stacking energy: -62.258 Base-Backbone interact. energy: -0.007 local terms energy: -69.764215 where: bonds (distance) C4'-P energy: -7.612 bonds (distance) P-C4' energy: -20.529 flat angles C4'-P-C4' energy: -18.938 flat angles P-C4'-P energy: -13.963 tors. eta vs tors. theta energy: -8.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -107.901194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.901194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.901194 (E_RNA) where: Base-Base interactions energy: -54.686 where: short stacking energy: -52.590 Base-Backbone interact. energy: 0.320 local terms energy: -53.534569 where: bonds (distance) C4'-P energy: -13.121 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -9.201 flat angles P-C4'-P energy: -12.970 tors. eta vs tors. theta energy: -3.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -107.333452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.333452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.333452 (E_RNA) where: Base-Base interactions energy: -39.100 where: short stacking energy: -39.100 Base-Backbone interact. energy: -0.068 local terms energy: -68.165211 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -20.386 flat angles C4'-P-C4' energy: -16.926 flat angles P-C4'-P energy: -8.391 tors. eta vs tors. theta energy: -10.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -204.247509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.247509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.247509 (E_RNA) where: Base-Base interactions energy: -106.807 where: short stacking energy: -106.807 Base-Backbone interact. energy: -0.004 local terms energy: -97.435638 where: bonds (distance) C4'-P energy: -20.518 bonds (distance) P-C4' energy: -17.506 flat angles C4'-P-C4' energy: -21.242 flat angles P-C4'-P energy: -16.558 tors. eta vs tors. theta energy: -21.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -221.936132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.936132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.936132 (E_RNA) where: Base-Base interactions energy: -121.597 where: short stacking energy: -121.597 Base-Backbone interact. energy: -0.000 local terms energy: -100.338766 where: bonds (distance) C4'-P energy: -17.532 bonds (distance) P-C4' energy: -18.014 flat angles C4'-P-C4' energy: -21.792 flat angles P-C4'-P energy: -11.543 tors. eta vs tors. theta energy: -31.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -190.940059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.940059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.940059 (E_RNA) where: Base-Base interactions energy: -104.221 where: short stacking energy: -104.221 Base-Backbone interact. energy: -0.015 local terms energy: -86.704314 where: bonds (distance) C4'-P energy: -13.538 bonds (distance) P-C4' energy: -17.701 flat angles C4'-P-C4' energy: -19.619 flat angles P-C4'-P energy: -13.730 tors. eta vs tors. theta energy: -22.116 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: 4, replica: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -173.379822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.379822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.379822 (E_RNA) where: Base-Base interactions energy: -89.547 where: short stacking energy: -89.547 Base-Backbone interact. energy: -0.062 local terms energy: -83.771527 where: bonds (distance) C4'-P energy: -15.823 bonds (distance) P-C4' energy: -20.359 flat angles C4'-P-C4' energy: -21.041 flat angles P-C4'-P energy: -10.804 tors. eta vs tors. theta energy: -15.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -161.121352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.121352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.121352 (E_RNA) where: Base-Base interactions energy: -90.612 where: short stacking energy: -86.387 Base-Backbone interact. energy: -0.389 local terms energy: -70.120273 where: bonds (distance) C4'-P energy: -15.747 bonds (distance) P-C4' energy: -20.208 flat angles C4'-P-C4' energy: -13.081 flat angles P-C4'-P energy: -10.406 tors. eta vs tors. theta energy: -10.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -161.465395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.465395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.465395 (E_RNA) where: Base-Base interactions energy: -85.634 where: short stacking energy: -85.634 Base-Backbone interact. energy: -0.018 local terms energy: -75.813115 where: bonds (distance) C4'-P energy: -19.258 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -14.180 flat angles P-C4'-P energy: -13.413 tors. eta vs tors. theta energy: -14.170 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: 10 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -131.281379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.281379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.281379 (E_RNA) where: Base-Base interactions energy: -63.908 where: short stacking energy: -63.908 Base-Backbone interact. energy: -0.081 local terms energy: -67.292429 where: bonds (distance) C4'-P energy: -18.980 bonds (distance) P-C4' energy: -17.669 flat angles C4'-P-C4' energy: -12.133 flat angles P-C4'-P energy: -7.968 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: 8, replica: 5 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -122.641165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.641165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.641165 (E_RNA) where: Base-Base interactions energy: -59.364 where: short stacking energy: -59.364 Base-Backbone interact. energy: 0.172 local terms energy: -63.449387 where: bonds (distance) C4'-P energy: -19.060 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -13.079 flat angles P-C4'-P energy: -11.923 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: 9, replica: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -141.102936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.102936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.102936 (E_RNA) where: Base-Base interactions energy: -66.957 where: short stacking energy: -65.096 Base-Backbone interact. energy: -0.044 local terms energy: -74.101930 where: bonds (distance) C4'-P energy: -10.782 bonds (distance) P-C4' energy: -18.297 flat angles C4'-P-C4' energy: -18.897 flat angles P-C4'-P energy: -12.208 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: 10, replica: 8 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -108.337345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.337345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.337345 (E_RNA) where: Base-Base interactions energy: -50.876 where: short stacking energy: -50.876 Base-Backbone interact. energy: -0.380 local terms energy: -57.081143 where: bonds (distance) C4'-P energy: -13.702 bonds (distance) P-C4' energy: -11.491 flat angles C4'-P-C4' energy: -16.435 flat angles P-C4'-P energy: -6.014 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: 1, replica: 6 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -202.258394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.258394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.258394 (E_RNA) where: Base-Base interactions energy: -108.290 where: short stacking energy: -108.290 Base-Backbone interact. energy: -0.098 local terms energy: -93.870355 where: bonds (distance) C4'-P energy: -17.321 bonds (distance) P-C4' energy: -14.607 flat angles C4'-P-C4' energy: -19.988 flat angles P-C4'-P energy: -16.251 tors. eta vs tors. theta energy: -25.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -216.382259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.382259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.382259 (E_RNA) where: Base-Base interactions energy: -122.770 where: short stacking energy: -122.770 Base-Backbone interact. energy: -0.000 local terms energy: -93.611822 where: bonds (distance) C4'-P energy: -13.686 bonds (distance) P-C4' energy: -18.231 flat angles C4'-P-C4' energy: -20.469 flat angles P-C4'-P energy: -11.102 tors. eta vs tors. theta energy: -30.123 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: 2 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -213.278780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.278780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.278780 (E_RNA) where: Base-Base interactions energy: -114.072 where: short stacking energy: -113.787 Base-Backbone interact. energy: -0.049 local terms energy: -99.157597 where: bonds (distance) C4'-P energy: -17.927 bonds (distance) P-C4' energy: -17.247 flat angles C4'-P-C4' energy: -20.602 flat angles P-C4'-P energy: -17.077 tors. eta vs tors. theta energy: -26.305 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: 3 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -159.019049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.019049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.019049 (E_RNA) where: Base-Base interactions energy: -77.915 where: short stacking energy: -77.542 Base-Backbone interact. energy: -0.220 local terms energy: -80.883907 where: bonds (distance) C4'-P energy: -18.625 bonds (distance) P-C4' energy: -17.551 flat angles C4'-P-C4' energy: -18.129 flat angles P-C4'-P energy: -14.016 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: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -152.365592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.365592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.365592 (E_RNA) where: Base-Base interactions energy: -84.995 where: short stacking energy: -84.995 Base-Backbone interact. energy: -0.250 local terms energy: -67.120615 where: bonds (distance) C4'-P energy: -6.288 bonds (distance) P-C4' energy: -18.021 flat angles C4'-P-C4' energy: -19.230 flat angles P-C4'-P energy: -7.841 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: 6, replica: 10 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -139.950174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.950174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.950174 (E_RNA) where: Base-Base interactions energy: -71.555 where: short stacking energy: -71.555 Base-Backbone interact. energy: -0.011 local terms energy: -68.383621 where: bonds (distance) C4'-P energy: -14.757 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -13.184 flat angles P-C4'-P energy: -11.781 tors. eta vs tors. theta energy: -14.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -137.478656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.478656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.478656 (E_RNA) where: Base-Base interactions energy: -70.142 where: short stacking energy: -70.142 Base-Backbone interact. energy: -0.399 local terms energy: -66.936776 where: bonds (distance) C4'-P energy: -13.748 bonds (distance) P-C4' energy: -15.462 flat angles C4'-P-C4' energy: -11.442 flat angles P-C4'-P energy: -12.895 tors. eta vs tors. theta energy: -13.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -114.115940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.115940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.115940 (E_RNA) where: Base-Base interactions energy: -55.511 where: short stacking energy: -54.914 Base-Backbone interact. energy: -0.935 local terms energy: -57.669628 where: bonds (distance) C4'-P energy: -11.438 bonds (distance) P-C4' energy: -14.570 flat angles C4'-P-C4' energy: -16.388 flat angles P-C4'-P energy: -9.475 tors. eta vs tors. theta energy: -5.800 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: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -124.270702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.270702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.270702 (E_RNA) where: Base-Base interactions energy: -56.024 where: short stacking energy: -56.024 Base-Backbone interact. energy: -0.064 local terms energy: -68.183309 where: bonds (distance) C4'-P energy: -14.232 bonds (distance) P-C4' energy: -19.450 flat angles C4'-P-C4' energy: -12.440 flat angles P-C4'-P energy: -13.235 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: 10, replica: 8 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -105.760792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.760792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.760792 (E_RNA) where: Base-Base interactions energy: -45.908 where: short stacking energy: -44.071 Base-Backbone interact. energy: -0.308 local terms energy: -59.544770 where: bonds (distance) C4'-P energy: -14.999 bonds (distance) P-C4' energy: -18.798 flat angles C4'-P-C4' energy: -16.175 flat angles P-C4'-P energy: -2.609 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: 1, replica: 4 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -216.179426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.179426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.179426 (E_RNA) where: Base-Base interactions energy: -117.073 where: short stacking energy: -117.073 Base-Backbone interact. energy: -0.000 local terms energy: -99.106278 where: bonds (distance) C4'-P energy: -15.706 bonds (distance) P-C4' energy: -20.029 flat angles C4'-P-C4' energy: -22.204 flat angles P-C4'-P energy: -12.465 tors. eta vs tors. theta energy: -28.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -183.300704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.300704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.300704 (E_RNA) where: Base-Base interactions energy: -101.030 where: short stacking energy: -101.030 Base-Backbone interact. energy: -0.369 local terms energy: -81.902319 where: bonds (distance) C4'-P energy: -13.969 bonds (distance) P-C4' energy: -11.215 flat angles C4'-P-C4' energy: -19.430 flat angles P-C4'-P energy: -16.035 tors. eta vs tors. theta energy: -21.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -195.300528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.300528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.300528 (E_RNA) where: Base-Base interactions energy: -109.124 where: short stacking energy: -109.124 Base-Backbone interact. energy: -0.029 local terms energy: -86.147947 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -17.958 flat angles C4'-P-C4' energy: -16.707 flat angles P-C4'-P energy: -12.699 tors. eta vs tors. theta energy: -23.690 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: 266 Temperature: 1.050000 Total energy: -152.712693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.712693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.712693 (E_RNA) where: Base-Base interactions energy: -75.191 where: short stacking energy: -75.191 Base-Backbone interact. energy: 1.000 local terms energy: -78.521845 where: bonds (distance) C4'-P energy: -14.573 bonds (distance) P-C4' energy: -17.884 flat angles C4'-P-C4' energy: -22.776 flat angles P-C4'-P energy: -10.776 tors. eta vs tors. theta energy: -12.513 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: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -153.277519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.277519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.277519 (E_RNA) where: Base-Base interactions energy: -83.187 where: short stacking energy: -83.187 Base-Backbone interact. energy: -0.119 local terms energy: -69.971700 where: bonds (distance) C4'-P energy: -15.071 bonds (distance) P-C4' energy: -15.557 flat angles C4'-P-C4' energy: -17.829 flat angles P-C4'-P energy: -10.966 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: 6, replica: 10 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -153.474779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.474779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.474779 (E_RNA) where: Base-Base interactions energy: -82.069 where: short stacking energy: -82.069 Base-Backbone interact. energy: 0.202 local terms energy: -71.608005 where: bonds (distance) C4'-P energy: -13.596 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -16.657 flat angles P-C4'-P energy: -6.896 tors. eta vs tors. theta energy: -19.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -141.149965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.149965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.149965 (E_RNA) where: Base-Base interactions energy: -65.751 where: short stacking energy: -65.751 Base-Backbone interact. energy: -0.090 local terms energy: -75.309380 where: bonds (distance) C4'-P energy: -19.307 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -19.292 flat angles P-C4'-P energy: -7.822 tors. eta vs tors. theta energy: -13.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -139.792861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.792861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.792861 (E_RNA) where: Base-Base interactions energy: -66.799 where: short stacking energy: -66.799 Base-Backbone interact. energy: -0.071 local terms energy: -72.922923 where: bonds (distance) C4'-P energy: -17.074 bonds (distance) P-C4' energy: -19.485 flat angles C4'-P-C4' energy: -16.225 flat angles P-C4'-P energy: -9.664 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: 9, replica: 8 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -118.497708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.497708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.497708 (E_RNA) where: Base-Base interactions energy: -51.677 where: short stacking energy: -51.677 Base-Backbone interact. energy: -0.073 local terms energy: -66.747342 where: bonds (distance) C4'-P energy: -15.956 bonds (distance) P-C4' energy: -13.280 flat angles C4'-P-C4' energy: -14.750 flat angles P-C4'-P energy: -13.441 tors. eta vs tors. theta energy: -9.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -116.991056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.991056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.991056 (E_RNA) where: Base-Base interactions energy: -59.272 where: short stacking energy: -59.272 Base-Backbone interact. energy: -0.097 local terms energy: -57.621969 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -14.792 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -8.974 tors. eta vs tors. theta energy: -9.346 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: 267 Temperature: 0.900000 Total energy: -233.445500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.445500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.445500 (E_RNA) where: Base-Base interactions energy: -130.458 where: short stacking energy: -130.458 Base-Backbone interact. energy: -0.000 local terms energy: -102.987581 where: bonds (distance) C4'-P energy: -15.905 bonds (distance) P-C4' energy: -17.793 flat angles C4'-P-C4' energy: -20.933 flat angles P-C4'-P energy: -16.192 tors. eta vs tors. theta energy: -32.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -234.424389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.424389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.424389 (E_RNA) where: Base-Base interactions energy: -130.116 where: short stacking energy: -130.116 Base-Backbone interact. energy: -0.000 local terms energy: -104.307927 where: bonds (distance) C4'-P energy: -18.721 bonds (distance) P-C4' energy: -17.445 flat angles C4'-P-C4' energy: -18.616 flat angles P-C4'-P energy: -17.816 tors. eta vs tors. theta energy: -31.710 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: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -185.048703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.048703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.048703 (E_RNA) where: Base-Base interactions energy: -93.331 where: short stacking energy: -93.331 Base-Backbone interact. energy: -0.005 local terms energy: -91.712967 where: bonds (distance) C4'-P energy: -20.388 bonds (distance) P-C4' energy: -22.440 flat angles C4'-P-C4' energy: -16.536 flat angles P-C4'-P energy: -11.727 tors. eta vs tors. theta energy: -20.622 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: 3 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -173.434629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.434629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.434629 (E_RNA) where: Base-Base interactions energy: -90.039 where: short stacking energy: -90.039 Base-Backbone interact. energy: -0.328 local terms energy: -83.067978 where: bonds (distance) C4'-P energy: -19.238 bonds (distance) P-C4' energy: -17.991 flat angles C4'-P-C4' energy: -16.434 flat angles P-C4'-P energy: -15.325 tors. eta vs tors. theta energy: -14.081 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: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -166.707069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.707069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.707069 (E_RNA) where: Base-Base interactions energy: -90.854 where: short stacking energy: -90.854 Base-Backbone interact. energy: 0.992 local terms energy: -76.844959 where: bonds (distance) C4'-P energy: -11.723 bonds (distance) P-C4' energy: -21.236 flat angles C4'-P-C4' energy: -17.721 flat angles P-C4'-P energy: -15.058 tors. eta vs tors. theta energy: -11.107 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: 10 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -161.516314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.516314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.516314 (E_RNA) where: Base-Base interactions energy: -83.400 where: short stacking energy: -83.182 Base-Backbone interact. energy: -0.040 local terms energy: -78.077224 where: bonds (distance) C4'-P energy: -11.898 bonds (distance) P-C4' energy: -17.591 flat angles C4'-P-C4' energy: -17.443 flat angles P-C4'-P energy: -11.248 tors. eta vs tors. theta energy: -19.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -130.048109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.048109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.048109 (E_RNA) where: Base-Base interactions energy: -66.224 where: short stacking energy: -66.224 Base-Backbone interact. energy: -0.124 local terms energy: -63.700017 where: bonds (distance) C4'-P energy: -14.625 bonds (distance) P-C4' energy: -17.819 flat angles C4'-P-C4' energy: -9.840 flat angles P-C4'-P energy: -8.324 tors. eta vs tors. theta energy: -13.092 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: 8, replica: 8 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -149.587637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.587637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.587637 (E_RNA) where: Base-Base interactions energy: -72.986 where: short stacking energy: -72.986 Base-Backbone interact. energy: -0.139 local terms energy: -76.463206 where: bonds (distance) C4'-P energy: -17.275 bonds (distance) P-C4' energy: -16.354 flat angles C4'-P-C4' energy: -17.419 flat angles P-C4'-P energy: -9.377 tors. eta vs tors. theta energy: -16.038 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: 267 Temperature: 1.300000 Total energy: -121.358874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.358874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.358874 (E_RNA) where: Base-Base interactions energy: -52.255 where: short stacking energy: -52.255 Base-Backbone interact. energy: -0.106 local terms energy: -68.997383 where: bonds (distance) C4'-P energy: -18.838 bonds (distance) P-C4' energy: -17.913 flat angles C4'-P-C4' energy: -16.272 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -7.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -138.119118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.119118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.119118 (E_RNA) where: Base-Base interactions energy: -63.952 where: short stacking energy: -63.525 Base-Backbone interact. energy: -0.103 local terms energy: -74.064288 where: bonds (distance) C4'-P energy: -15.827 bonds (distance) P-C4' energy: -18.185 flat angles C4'-P-C4' energy: -15.538 flat angles P-C4'-P energy: -10.288 tors. eta vs tors. theta energy: -14.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -232.306219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.306219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.306219 (E_RNA) where: Base-Base interactions energy: -124.822 where: short stacking energy: -124.822 Base-Backbone interact. energy: -0.000 local terms energy: -107.484126 where: bonds (distance) C4'-P energy: -17.063 bonds (distance) P-C4' energy: -21.344 flat angles C4'-P-C4' energy: -20.530 flat angles P-C4'-P energy: -16.344 tors. eta vs tors. theta energy: -32.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -207.100010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.100010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.100010 (E_RNA) where: Base-Base interactions energy: -112.728 where: short stacking energy: -112.728 Base-Backbone interact. energy: -0.065 local terms energy: -94.306915 where: bonds (distance) C4'-P energy: -16.062 bonds (distance) P-C4' energy: -16.103 flat angles C4'-P-C4' energy: -20.525 flat angles P-C4'-P energy: -15.218 tors. eta vs tors. theta energy: -26.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -188.508830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.508830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.508830 (E_RNA) where: Base-Base interactions energy: -100.800 where: short stacking energy: -100.800 Base-Backbone interact. energy: -0.032 local terms energy: -87.676852 where: bonds (distance) C4'-P energy: -17.218 bonds (distance) P-C4' energy: -18.334 flat angles C4'-P-C4' energy: -19.617 flat angles P-C4'-P energy: -15.623 tors. eta vs tors. theta energy: -16.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -167.386505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.386505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.386505 (E_RNA) where: Base-Base interactions energy: -84.298 where: short stacking energy: -84.298 Base-Backbone interact. energy: 0.527 local terms energy: -83.615606 where: bonds (distance) C4'-P energy: -18.427 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -17.420 flat angles P-C4'-P energy: -14.194 tors. eta vs tors. theta energy: -19.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -154.153813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.153813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.153813 (E_RNA) where: Base-Base interactions energy: -75.751 where: short stacking energy: -75.751 Base-Backbone interact. energy: 0.650 local terms energy: -79.052472 where: bonds (distance) C4'-P energy: -15.601 bonds (distance) P-C4' energy: -18.964 flat angles C4'-P-C4' energy: -19.219 flat angles P-C4'-P energy: -8.543 tors. eta vs tors. theta energy: -16.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -141.650716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.650716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.650716 (E_RNA) where: Base-Base interactions energy: -73.920 where: short stacking energy: -73.489 Base-Backbone interact. energy: -0.173 local terms energy: -67.558577 where: bonds (distance) C4'-P energy: -16.116 bonds (distance) P-C4' energy: -17.590 flat angles C4'-P-C4' energy: -20.063 flat angles P-C4'-P energy: -2.402 tors. eta vs tors. theta energy: -11.387 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: 8 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -141.850786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.850786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.850786 (E_RNA) where: Base-Base interactions energy: -69.179 where: short stacking energy: -66.008 Base-Backbone interact. energy: -0.042 local terms energy: -72.629913 where: bonds (distance) C4'-P energy: -16.684 bonds (distance) P-C4' energy: -16.085 flat angles C4'-P-C4' energy: -16.894 flat angles P-C4'-P energy: -13.069 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: 8, replica: 5 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -127.150471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.150471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.150471 (E_RNA) where: Base-Base interactions energy: -62.726 where: short stacking energy: -61.825 Base-Backbone interact. energy: -0.073 local terms energy: -64.350898 where: bonds (distance) C4'-P energy: -17.887 bonds (distance) P-C4' energy: -11.860 flat angles C4'-P-C4' energy: -15.993 flat angles P-C4'-P energy: -7.567 tors. eta vs tors. theta energy: -11.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -116.773184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.773184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.773184 (E_RNA) where: Base-Base interactions energy: -66.617 where: short stacking energy: -65.625 Base-Backbone interact. energy: -0.202 local terms energy: -49.954700 where: bonds (distance) C4'-P energy: -12.255 bonds (distance) P-C4' energy: -14.204 flat angles C4'-P-C4' energy: -14.688 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: -6.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -105.778808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.778808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.778808 (E_RNA) where: Base-Base interactions energy: -52.149 where: short stacking energy: -52.149 Base-Backbone interact. energy: 0.114 local terms energy: -53.743553 where: bonds (distance) C4'-P energy: -14.332 bonds (distance) P-C4' energy: -15.695 flat angles C4'-P-C4' energy: -14.924 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -3.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -230.572646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.572646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.572646 (E_RNA) where: Base-Base interactions energy: -126.647 where: short stacking energy: -126.647 Base-Backbone interact. energy: -0.000 local terms energy: -103.925730 where: bonds (distance) C4'-P energy: -18.344 bonds (distance) P-C4' energy: -20.333 flat angles C4'-P-C4' energy: -17.542 flat angles P-C4'-P energy: -13.994 tors. eta vs tors. theta energy: -33.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -203.519972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.519972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.519972 (E_RNA) where: Base-Base interactions energy: -108.691 where: short stacking energy: -108.691 Base-Backbone interact. energy: -0.000 local terms energy: -94.828763 where: bonds (distance) C4'-P energy: -13.839 bonds (distance) P-C4' energy: -20.629 flat angles C4'-P-C4' energy: -21.586 flat angles P-C4'-P energy: -9.396 tors. eta vs tors. theta energy: -29.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -209.261127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.261127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.261127 (E_RNA) where: Base-Base interactions energy: -115.931 where: short stacking energy: -115.931 Base-Backbone interact. energy: -0.010 local terms energy: -93.320340 where: bonds (distance) C4'-P energy: -17.970 bonds (distance) P-C4' energy: -19.539 flat angles C4'-P-C4' energy: -18.879 flat angles P-C4'-P energy: -10.916 tors. eta vs tors. theta energy: -26.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -184.668929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.668929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.668929 (E_RNA) where: Base-Base interactions energy: -96.234 where: short stacking energy: -96.234 Base-Backbone interact. energy: -0.070 local terms energy: -88.364957 where: bonds (distance) C4'-P energy: -17.911 bonds (distance) P-C4' energy: -18.498 flat angles C4'-P-C4' energy: -17.331 flat angles P-C4'-P energy: -13.986 tors. eta vs tors. theta energy: -20.639 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: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -159.027993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.027993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.027993 (E_RNA) where: Base-Base interactions energy: -79.997 where: short stacking energy: -79.997 Base-Backbone interact. energy: -0.014 local terms energy: -79.016395 where: bonds (distance) C4'-P energy: -18.597 bonds (distance) P-C4' energy: -18.750 flat angles C4'-P-C4' energy: -16.581 flat angles P-C4'-P energy: -12.866 tors. eta vs tors. theta energy: -12.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -163.028460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.028460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.028460 (E_RNA) where: Base-Base interactions energy: -89.283 where: short stacking energy: -88.757 Base-Backbone interact. energy: -0.072 local terms energy: -73.673428 where: bonds (distance) C4'-P energy: -10.146 bonds (distance) P-C4' energy: -19.763 flat angles C4'-P-C4' energy: -19.091 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -18.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -148.875429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.875429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.875429 (E_RNA) where: Base-Base interactions energy: -76.188 where: short stacking energy: -72.697 Base-Backbone interact. energy: 1.218 local terms energy: -73.905557 where: bonds (distance) C4'-P energy: -16.374 bonds (distance) P-C4' energy: -14.006 flat angles C4'-P-C4' energy: -20.309 flat angles P-C4'-P energy: -9.210 tors. eta vs tors. theta energy: -14.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -122.540210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.540210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.540210 (E_RNA) where: Base-Base interactions energy: -58.249 where: short stacking energy: -58.249 Base-Backbone interact. energy: -0.019 local terms energy: -64.272024 where: bonds (distance) C4'-P energy: -12.459 bonds (distance) P-C4' energy: -16.673 flat angles C4'-P-C4' energy: -17.309 flat angles P-C4'-P energy: -9.093 tors. eta vs tors. theta energy: -8.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -124.155792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.155792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.155792 (E_RNA) where: Base-Base interactions energy: -56.180 where: short stacking energy: -53.455 Base-Backbone interact. energy: 1.089 local terms energy: -69.065071 where: bonds (distance) C4'-P energy: -15.594 bonds (distance) P-C4' energy: -14.707 flat angles C4'-P-C4' energy: -17.182 flat angles P-C4'-P energy: -11.783 tors. eta vs tors. theta energy: -9.799 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: 269 Temperature: 1.350000 Total energy: -117.700091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.700091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.700091 (E_RNA) where: Base-Base interactions energy: -54.296 where: short stacking energy: -54.296 Base-Backbone interact. energy: -0.055 local terms energy: -63.348993 where: bonds (distance) C4'-P energy: -16.472 bonds (distance) P-C4' energy: -15.927 flat angles C4'-P-C4' energy: -15.423 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -9.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -212.364623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.364623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.364623 (E_RNA) where: Base-Base interactions energy: -111.739 where: short stacking energy: -111.739 Base-Backbone interact. energy: -0.005 local terms energy: -100.620668 where: bonds (distance) C4'-P energy: -17.413 bonds (distance) P-C4' energy: -22.194 flat angles C4'-P-C4' energy: -19.148 flat angles P-C4'-P energy: -15.444 tors. eta vs tors. theta energy: -26.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -198.661867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.661867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.661867 (E_RNA) where: Base-Base interactions energy: -105.380 where: short stacking energy: -105.380 Base-Backbone interact. energy: -0.102 local terms energy: -93.179871 where: bonds (distance) C4'-P energy: -17.918 bonds (distance) P-C4' energy: -19.105 flat angles C4'-P-C4' energy: -18.887 flat angles P-C4'-P energy: -14.615 tors. eta vs tors. theta energy: -22.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -196.922442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.922442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.922442 (E_RNA) where: Base-Base interactions energy: -110.800 where: short stacking energy: -110.800 Base-Backbone interact. energy: -0.041 local terms energy: -86.081066 where: bonds (distance) C4'-P energy: -14.216 bonds (distance) P-C4' energy: -15.556 flat angles C4'-P-C4' energy: -18.022 flat angles P-C4'-P energy: -14.806 tors. eta vs tors. theta energy: -23.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -185.704320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.704320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.704320 (E_RNA) where: Base-Base interactions energy: -98.576 where: short stacking energy: -98.576 Base-Backbone interact. energy: -0.002 local terms energy: -87.125981 where: bonds (distance) C4'-P energy: -16.648 bonds (distance) P-C4' energy: -18.153 flat angles C4'-P-C4' energy: -18.896 flat angles P-C4'-P energy: -10.135 tors. eta vs tors. theta energy: -23.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -161.182193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.182193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.182193 (E_RNA) where: Base-Base interactions energy: -81.800 where: short stacking energy: -81.800 Base-Backbone interact. energy: -0.168 local terms energy: -79.213698 where: bonds (distance) C4'-P energy: -15.164 bonds (distance) P-C4' energy: -20.995 flat angles C4'-P-C4' energy: -19.562 flat angles P-C4'-P energy: -8.561 tors. eta vs tors. theta energy: -14.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -169.350092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.350092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.350092 (E_RNA) where: Base-Base interactions energy: -83.169 where: short stacking energy: -83.169 Base-Backbone interact. energy: -0.102 local terms energy: -86.078822 where: bonds (distance) C4'-P energy: -14.904 bonds (distance) P-C4' energy: -19.574 flat angles C4'-P-C4' energy: -19.144 flat angles P-C4'-P energy: -15.124 tors. eta vs tors. theta energy: -17.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -130.400649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.400649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.400649 (E_RNA) where: Base-Base interactions energy: -64.928 where: short stacking energy: -64.513 Base-Backbone interact. energy: 1.339 local terms energy: -66.811523 where: bonds (distance) C4'-P energy: -17.231 bonds (distance) P-C4' energy: -13.804 flat angles C4'-P-C4' energy: -16.522 flat angles P-C4'-P energy: -11.146 tors. eta vs tors. theta energy: -8.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -129.502727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.502727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.502727 (E_RNA) where: Base-Base interactions energy: -60.799 where: short stacking energy: -60.799 Base-Backbone interact. energy: 0.322 local terms energy: -69.025144 where: bonds (distance) C4'-P energy: -18.860 bonds (distance) P-C4' energy: -17.563 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -7.675 tors. eta vs tors. theta energy: -10.692 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: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -129.701187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.701187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.701187 (E_RNA) where: Base-Base interactions energy: -62.488 where: short stacking energy: -62.488 Base-Backbone interact. energy: -0.040 local terms energy: -67.173474 where: bonds (distance) C4'-P energy: -10.432 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -16.898 flat angles P-C4'-P energy: -11.973 tors. eta vs tors. theta energy: -13.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -115.876917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.876917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.876917 (E_RNA) where: Base-Base interactions energy: -52.839 where: short stacking energy: -52.839 Base-Backbone interact. energy: -0.012 local terms energy: -63.025143 where: bonds (distance) C4'-P energy: -15.649 bonds (distance) P-C4' energy: -12.421 flat angles C4'-P-C4' energy: -13.772 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: -11.987 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: 271 Temperature: 0.900000 Total energy: -214.481777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.481777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.481777 (E_RNA) where: Base-Base interactions energy: -123.061 where: short stacking energy: -123.061 Base-Backbone interact. energy: -0.005 local terms energy: -91.416368 where: bonds (distance) C4'-P energy: -17.554 bonds (distance) P-C4' energy: -20.746 flat angles C4'-P-C4' energy: -18.488 flat angles P-C4'-P energy: -9.070 tors. eta vs tors. theta energy: -25.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -188.261052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.261052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.261052 (E_RNA) where: Base-Base interactions energy: -104.130 where: short stacking energy: -104.130 Base-Backbone interact. energy: -0.002 local terms energy: -84.129318 where: bonds (distance) C4'-P energy: -17.525 bonds (distance) P-C4' energy: -18.569 flat angles C4'-P-C4' energy: -16.722 flat angles P-C4'-P energy: -9.697 tors. eta vs tors. theta energy: -21.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -179.535186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.535186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.535186 (E_RNA) where: Base-Base interactions energy: -89.727 where: short stacking energy: -89.727 Base-Backbone interact. energy: -0.002 local terms energy: -89.806700 where: bonds (distance) C4'-P energy: -18.609 bonds (distance) P-C4' energy: -20.031 flat angles C4'-P-C4' energy: -20.227 flat angles P-C4'-P energy: -15.240 tors. eta vs tors. theta energy: -15.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -190.318569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.318569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.318569 (E_RNA) where: Base-Base interactions energy: -98.964 where: short stacking energy: -98.964 Base-Backbone interact. energy: 0.319 local terms energy: -91.673540 where: bonds (distance) C4'-P energy: -20.442 bonds (distance) P-C4' energy: -16.080 flat angles C4'-P-C4' energy: -19.361 flat angles P-C4'-P energy: -10.816 tors. eta vs tors. theta energy: -24.974 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: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -174.032193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.032193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.032193 (E_RNA) where: Base-Base interactions energy: -94.055 where: short stacking energy: -94.055 Base-Backbone interact. energy: -0.033 local terms energy: -79.943326 where: bonds (distance) C4'-P energy: -15.165 bonds (distance) P-C4' energy: -13.862 flat angles C4'-P-C4' energy: -19.627 flat angles P-C4'-P energy: -11.969 tors. eta vs tors. theta energy: -19.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -130.255184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.255184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.255184 (E_RNA) where: Base-Base interactions energy: -57.708 where: short stacking energy: -57.708 Base-Backbone interact. energy: -0.092 local terms energy: -72.455542 where: bonds (distance) C4'-P energy: -18.401 bonds (distance) P-C4' energy: -19.011 flat angles C4'-P-C4' energy: -15.772 flat angles P-C4'-P energy: -12.991 tors. eta vs tors. theta energy: -6.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -158.562011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.562011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.562011 (E_RNA) where: Base-Base interactions energy: -84.879 where: short stacking energy: -84.879 Base-Backbone interact. energy: -0.000 local terms energy: -73.682950 where: bonds (distance) C4'-P energy: -17.881 bonds (distance) P-C4' energy: -14.986 flat angles C4'-P-C4' energy: -20.586 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -16.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -132.525041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.525041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.525041 (E_RNA) where: Base-Base interactions energy: -69.948 where: short stacking energy: -69.948 Base-Backbone interact. energy: -0.227 local terms energy: -62.350693 where: bonds (distance) C4'-P energy: -14.324 bonds (distance) P-C4' energy: -19.565 flat angles C4'-P-C4' energy: -16.397 flat angles P-C4'-P energy: -1.932 tors. eta vs tors. theta energy: -10.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -117.441513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.441513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.441513 (E_RNA) where: Base-Base interactions energy: -52.202 where: short stacking energy: -52.202 Base-Backbone interact. energy: -0.309 local terms energy: -64.930201 where: bonds (distance) C4'-P energy: -14.851 bonds (distance) P-C4' energy: -17.077 flat angles C4'-P-C4' energy: -16.924 flat angles P-C4'-P energy: -9.536 tors. eta vs tors. theta energy: -6.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -131.982407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.982407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.982407 (E_RNA) where: Base-Base interactions energy: -62.834 where: short stacking energy: -57.703 Base-Backbone interact. energy: -0.013 local terms energy: -69.135573 where: bonds (distance) C4'-P energy: -11.430 bonds (distance) P-C4' energy: -18.791 flat angles C4'-P-C4' energy: -16.572 flat angles P-C4'-P energy: -14.823 tors. eta vs tors. theta energy: -7.519 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: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -209.771833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.771833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.771833 (E_RNA) where: Base-Base interactions energy: -111.710 where: short stacking energy: -111.710 Base-Backbone interact. energy: -0.009 local terms energy: -98.052516 where: bonds (distance) C4'-P energy: -17.479 bonds (distance) P-C4' energy: -21.537 flat angles C4'-P-C4' energy: -19.337 flat angles P-C4'-P energy: -13.684 tors. eta vs tors. theta energy: -26.016 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: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -200.966636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.966636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.966636 (E_RNA) where: Base-Base interactions energy: -106.090 where: short stacking energy: -106.090 Base-Backbone interact. energy: -0.001 local terms energy: -94.875058 where: bonds (distance) C4'-P energy: -18.315 bonds (distance) P-C4' energy: -19.768 flat angles C4'-P-C4' energy: -20.036 flat angles P-C4'-P energy: -14.874 tors. eta vs tors. theta energy: -21.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -191.547331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.547331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.547331 (E_RNA) where: Base-Base interactions energy: -106.372 where: short stacking energy: -106.372 Base-Backbone interact. energy: -0.000 local terms energy: -85.175435 where: bonds (distance) C4'-P energy: -11.727 bonds (distance) P-C4' energy: -20.113 flat angles C4'-P-C4' energy: -17.600 flat angles P-C4'-P energy: -13.614 tors. eta vs tors. theta energy: -22.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -177.826816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.826816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.826816 (E_RNA) where: Base-Base interactions energy: -90.005 where: short stacking energy: -90.005 Base-Backbone interact. energy: -0.004 local terms energy: -87.817216 where: bonds (distance) C4'-P energy: -15.383 bonds (distance) P-C4' energy: -20.070 flat angles C4'-P-C4' energy: -20.875 flat angles P-C4'-P energy: -10.108 tors. eta vs tors. theta energy: -21.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -178.845067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.845067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.845067 (E_RNA) where: Base-Base interactions energy: -99.542 where: short stacking energy: -99.542 Base-Backbone interact. energy: -0.096 local terms energy: -79.207180 where: bonds (distance) C4'-P energy: -14.283 bonds (distance) P-C4' energy: -13.851 flat angles C4'-P-C4' energy: -20.351 flat angles P-C4'-P energy: -8.487 tors. eta vs tors. theta energy: -22.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -157.363640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.363640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.363640 (E_RNA) where: Base-Base interactions energy: -83.235 where: short stacking energy: -80.928 Base-Backbone interact. energy: 0.574 local terms energy: -74.702322 where: bonds (distance) C4'-P energy: -19.312 bonds (distance) P-C4' energy: -16.116 flat angles C4'-P-C4' energy: -18.878 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -13.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -132.677524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.677524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.677524 (E_RNA) where: Base-Base interactions energy: -58.898 where: short stacking energy: -58.898 Base-Backbone interact. energy: -0.018 local terms energy: -73.761028 where: bonds (distance) C4'-P energy: -15.563 bonds (distance) P-C4' energy: -17.376 flat angles C4'-P-C4' energy: -20.301 flat angles P-C4'-P energy: -9.540 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: 8, replica: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -132.355667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.355667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.355667 (E_RNA) where: Base-Base interactions energy: -62.535 where: short stacking energy: -62.535 Base-Backbone interact. energy: -0.100 local terms energy: -69.721040 where: bonds (distance) C4'-P energy: -9.381 bonds (distance) P-C4' energy: -17.477 flat angles C4'-P-C4' energy: -18.468 flat angles P-C4'-P energy: -8.470 tors. eta vs tors. theta energy: -15.925 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: 5 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -132.558147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.558147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.558147 (E_RNA) where: Base-Base interactions energy: -57.790 where: short stacking energy: -57.790 Base-Backbone interact. energy: -0.951 local terms energy: -73.817258 where: bonds (distance) C4'-P energy: -17.750 bonds (distance) P-C4' energy: -20.193 flat angles C4'-P-C4' energy: -17.148 flat angles P-C4'-P energy: -9.265 tors. eta vs tors. theta energy: -9.461 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: 7 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -102.783064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.783064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.783064 (E_RNA) where: Base-Base interactions energy: -47.629 where: short stacking energy: -47.302 Base-Backbone interact. energy: 0.246 local terms energy: -55.400678 where: bonds (distance) C4'-P energy: -15.740 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -14.114 flat angles P-C4'-P energy: -6.553 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: 1, replica: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -210.359254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.359254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.359254 (E_RNA) where: Base-Base interactions energy: -110.570 where: short stacking energy: -110.570 Base-Backbone interact. energy: -0.003 local terms energy: -99.786732 where: bonds (distance) C4'-P energy: -19.118 bonds (distance) P-C4' energy: -19.827 flat angles C4'-P-C4' energy: -20.128 flat angles P-C4'-P energy: -17.508 tors. eta vs tors. theta energy: -23.206 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: 273 Temperature: 0.950000 Total energy: -192.922439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.922439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.922439 (E_RNA) where: Base-Base interactions energy: -101.540 where: short stacking energy: -101.540 Base-Backbone interact. energy: -0.305 local terms energy: -91.077508 where: bonds (distance) C4'-P energy: -18.244 bonds (distance) P-C4' energy: -17.527 flat angles C4'-P-C4' energy: -19.846 flat angles P-C4'-P energy: -14.902 tors. eta vs tors. theta energy: -20.558 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: 10 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -174.285741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.285741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.285741 (E_RNA) where: Base-Base interactions energy: -91.082 where: short stacking energy: -91.082 Base-Backbone interact. energy: -0.097 local terms energy: -83.107410 where: bonds (distance) C4'-P energy: -17.604 bonds (distance) P-C4' energy: -20.696 flat angles C4'-P-C4' energy: -15.391 flat angles P-C4'-P energy: -10.016 tors. eta vs tors. theta energy: -19.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -194.576925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.576925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.576925 (E_RNA) where: Base-Base interactions energy: -105.286 where: short stacking energy: -105.280 Base-Backbone interact. energy: -0.111 local terms energy: -89.179901 where: bonds (distance) C4'-P energy: -14.300 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -20.298 flat angles P-C4'-P energy: -13.880 tors. eta vs tors. theta energy: -24.692 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: 8 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -165.577325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.577325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.577325 (E_RNA) where: Base-Base interactions energy: -87.364 where: short stacking energy: -87.364 Base-Backbone interact. energy: -0.001 local terms energy: -78.212550 where: bonds (distance) C4'-P energy: -17.421 bonds (distance) P-C4' energy: -17.049 flat angles C4'-P-C4' energy: -14.815 flat angles P-C4'-P energy: -12.419 tors. eta vs tors. theta energy: -16.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -152.004524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.004524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.004524 (E_RNA) where: Base-Base interactions energy: -73.734 where: short stacking energy: -73.734 Base-Backbone interact. energy: -0.105 local terms energy: -78.165597 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -20.912 flat angles C4'-P-C4' energy: -17.022 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -13.312 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: 6 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -140.034244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.034244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.034244 (E_RNA) where: Base-Base interactions energy: -71.758 where: short stacking energy: -71.431 Base-Backbone interact. energy: -0.116 local terms energy: -68.160530 where: bonds (distance) C4'-P energy: -17.177 bonds (distance) P-C4' energy: -15.109 flat angles C4'-P-C4' energy: -12.896 flat angles P-C4'-P energy: -11.759 tors. eta vs tors. theta energy: -11.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -121.896884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.896884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.896884 (E_RNA) where: Base-Base interactions energy: -59.055 where: short stacking energy: -59.055 Base-Backbone interact. energy: 0.871 local terms energy: -63.713493 where: bonds (distance) C4'-P energy: -14.025 bonds (distance) P-C4' energy: -16.060 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -13.863 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: 9, replica: 1 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -123.177807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.177807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.177807 (E_RNA) where: Base-Base interactions energy: -62.132 where: short stacking energy: -62.132 Base-Backbone interact. energy: -0.113 local terms energy: -60.932982 where: bonds (distance) C4'-P energy: -14.808 bonds (distance) P-C4' energy: -15.442 flat angles C4'-P-C4' energy: -17.244 flat angles P-C4'-P energy: -5.099 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: 10, replica: 7 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -117.816116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.816116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.816116 (E_RNA) where: Base-Base interactions energy: -47.594 where: short stacking energy: -47.594 Base-Backbone interact. energy: -0.127 local terms energy: -70.094911 where: bonds (distance) C4'-P energy: -16.997 bonds (distance) P-C4' energy: -17.243 flat angles C4'-P-C4' energy: -17.422 flat angles P-C4'-P energy: -12.850 tors. eta vs tors. theta energy: -5.583 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: 274 Temperature: 0.900000 Total energy: -206.406124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.406124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.406124 (E_RNA) where: Base-Base interactions energy: -113.377 where: short stacking energy: -113.377 Base-Backbone interact. energy: -0.135 local terms energy: -92.893807 where: bonds (distance) C4'-P energy: -17.346 bonds (distance) P-C4' energy: -19.957 flat angles C4'-P-C4' energy: -16.855 flat angles P-C4'-P energy: -12.385 tors. eta vs tors. theta energy: -26.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -180.589179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.589179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.589179 (E_RNA) where: Base-Base interactions energy: -95.893 where: short stacking energy: -96.093 Base-Backbone interact. energy: -2.238 local terms energy: -82.457841 where: bonds (distance) C4'-P energy: -18.224 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -21.815 flat angles P-C4'-P energy: -10.991 tors. eta vs tors. theta energy: -15.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -180.348063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.348063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.348063 (E_RNA) where: Base-Base interactions energy: -100.295 where: short stacking energy: -100.295 Base-Backbone interact. energy: -0.010 local terms energy: -80.043551 where: bonds (distance) C4'-P energy: -13.960 bonds (distance) P-C4' energy: -16.619 flat angles C4'-P-C4' energy: -19.272 flat angles P-C4'-P energy: -8.257 tors. eta vs tors. theta energy: -21.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -176.576029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.576029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.576029 (E_RNA) where: Base-Base interactions energy: -100.135 where: short stacking energy: -100.135 Base-Backbone interact. energy: -0.028 local terms energy: -76.412942 where: bonds (distance) C4'-P energy: -12.714 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -17.968 flat angles P-C4'-P energy: -9.935 tors. eta vs tors. theta energy: -21.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -202.417606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.417606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.417606 (E_RNA) where: Base-Base interactions energy: -111.591 where: short stacking energy: -111.591 Base-Backbone interact. energy: -0.002 local terms energy: -90.825392 where: bonds (distance) C4'-P energy: -11.662 bonds (distance) P-C4' energy: -16.744 flat angles C4'-P-C4' energy: -21.457 flat angles P-C4'-P energy: -12.656 tors. eta vs tors. theta energy: -28.307 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: 8 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -148.579811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.579811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.579811 (E_RNA) where: Base-Base interactions energy: -80.806 where: short stacking energy: -80.806 Base-Backbone interact. energy: -0.001 local terms energy: -67.772026 where: bonds (distance) C4'-P energy: -12.448 bonds (distance) P-C4' energy: -14.478 flat angles C4'-P-C4' energy: -16.333 flat angles P-C4'-P energy: -10.217 tors. eta vs tors. theta energy: -14.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -130.513477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.513477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.513477 (E_RNA) where: Base-Base interactions energy: -61.005 where: short stacking energy: -61.005 Base-Backbone interact. energy: 0.467 local terms energy: -69.975564 where: bonds (distance) C4'-P energy: -16.249 bonds (distance) P-C4' energy: -16.535 flat angles C4'-P-C4' energy: -17.549 flat angles P-C4'-P energy: -8.526 tors. eta vs tors. theta energy: -11.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -130.972036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.972036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.972036 (E_RNA) where: Base-Base interactions energy: -64.362 where: short stacking energy: -64.362 Base-Backbone interact. energy: -0.176 local terms energy: -66.434407 where: bonds (distance) C4'-P energy: -15.542 bonds (distance) P-C4' energy: -13.414 flat angles C4'-P-C4' energy: -18.058 flat angles P-C4'-P energy: -12.296 tors. eta vs tors. theta energy: -7.124 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: 9, replica: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -119.537543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.537543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.537543 (E_RNA) where: Base-Base interactions energy: -53.932 where: short stacking energy: -53.932 Base-Backbone interact. energy: 0.937 local terms energy: -66.542965 where: bonds (distance) C4'-P energy: -16.449 bonds (distance) P-C4' energy: -19.497 flat angles C4'-P-C4' energy: -13.331 flat angles P-C4'-P energy: -10.915 tors. eta vs tors. theta energy: -6.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -122.321066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.321066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.321066 (E_RNA) where: Base-Base interactions energy: -60.593 where: short stacking energy: -61.693 Base-Backbone interact. energy: -0.263 local terms energy: -61.464545 where: bonds (distance) C4'-P energy: -15.308 bonds (distance) P-C4' energy: -16.671 flat angles C4'-P-C4' energy: -7.443 flat angles P-C4'-P energy: -11.687 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: 1, replica: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -219.495104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.495104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.495104 (E_RNA) where: Base-Base interactions energy: -117.142 where: short stacking energy: -117.142 Base-Backbone interact. energy: -0.000 local terms energy: -102.353204 where: bonds (distance) C4'-P energy: -20.120 bonds (distance) P-C4' energy: -19.191 flat angles C4'-P-C4' energy: -21.414 flat angles P-C4'-P energy: -13.650 tors. eta vs tors. theta energy: -27.978 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: 10 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -198.313328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.313328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.313328 (E_RNA) where: Base-Base interactions energy: -112.365 where: short stacking energy: -112.365 Base-Backbone interact. energy: -0.187 local terms energy: -85.761553 where: bonds (distance) C4'-P energy: -18.096 bonds (distance) P-C4' energy: -15.620 flat angles C4'-P-C4' energy: -20.242 flat angles P-C4'-P energy: -10.222 tors. eta vs tors. theta energy: -21.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -185.463652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.463652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.463652 (E_RNA) where: Base-Base interactions energy: -100.605 where: short stacking energy: -93.659 Base-Backbone interact. energy: -0.029 local terms energy: -84.829079 where: bonds (distance) C4'-P energy: -16.161 bonds (distance) P-C4' energy: -16.698 flat angles C4'-P-C4' energy: -19.474 flat angles P-C4'-P energy: -12.418 tors. eta vs tors. theta energy: -20.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -199.403728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.403728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.403728 (E_RNA) where: Base-Base interactions energy: -107.680 where: short stacking energy: -107.680 Base-Backbone interact. energy: -0.003 local terms energy: -91.721022 where: bonds (distance) C4'-P energy: -16.505 bonds (distance) P-C4' energy: -16.344 flat angles C4'-P-C4' energy: -16.937 flat angles P-C4'-P energy: -12.662 tors. eta vs tors. theta energy: -29.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -157.113498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.113498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.113498 (E_RNA) where: Base-Base interactions energy: -82.627 where: short stacking energy: -82.594 Base-Backbone interact. energy: 0.680 local terms energy: -75.166358 where: bonds (distance) C4'-P energy: -15.371 bonds (distance) P-C4' energy: -16.884 flat angles C4'-P-C4' energy: -19.912 flat angles P-C4'-P energy: -9.147 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: 6, replica: 8 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -171.837207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.837207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.837207 (E_RNA) where: Base-Base interactions energy: -85.773 where: short stacking energy: -85.773 Base-Backbone interact. energy: -0.004 local terms energy: -86.060638 where: bonds (distance) C4'-P energy: -15.185 bonds (distance) P-C4' energy: -20.320 flat angles C4'-P-C4' energy: -18.584 flat angles P-C4'-P energy: -11.501 tors. eta vs tors. theta energy: -20.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -140.153004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.153004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.153004 (E_RNA) where: Base-Base interactions energy: -62.364 where: short stacking energy: -62.364 Base-Backbone interact. energy: -0.043 local terms energy: -77.746571 where: bonds (distance) C4'-P energy: -18.232 bonds (distance) P-C4' energy: -16.116 flat angles C4'-P-C4' energy: -17.731 flat angles P-C4'-P energy: -15.063 tors. eta vs tors. theta energy: -10.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -124.245473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.245473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.245473 (E_RNA) where: Base-Base interactions energy: -51.699 where: short stacking energy: -51.699 Base-Backbone interact. energy: -0.200 local terms energy: -72.346115 where: bonds (distance) C4'-P energy: -18.302 bonds (distance) P-C4' energy: -18.305 flat angles C4'-P-C4' energy: -16.717 flat angles P-C4'-P energy: -16.477 tors. eta vs tors. theta energy: -2.544 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: 6 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -120.359229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.359229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.359229 (E_RNA) where: Base-Base interactions energy: -54.020 where: short stacking energy: -53.839 Base-Backbone interact. energy: 0.615 local terms energy: -66.954321 where: bonds (distance) C4'-P energy: -16.221 bonds (distance) P-C4' energy: -17.909 flat angles C4'-P-C4' energy: -11.904 flat angles P-C4'-P energy: -12.976 tors. eta vs tors. theta energy: -7.945 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: 10, replica: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -104.376306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.376306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.376306 (E_RNA) where: Base-Base interactions energy: -44.046 where: short stacking energy: -40.326 Base-Backbone interact. energy: -1.247 local terms energy: -59.082756 where: bonds (distance) C4'-P energy: -15.454 bonds (distance) P-C4' energy: -18.208 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -9.599 tors. eta vs tors. theta energy: -1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -209.405671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.405671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.405671 (E_RNA) where: Base-Base interactions energy: -109.874 where: short stacking energy: -109.874 Base-Backbone interact. energy: 0.066 local terms energy: -99.597754 where: bonds (distance) C4'-P energy: -21.775 bonds (distance) P-C4' energy: -19.399 flat angles C4'-P-C4' energy: -18.814 flat angles P-C4'-P energy: -13.408 tors. eta vs tors. theta energy: -26.200 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: 10 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -193.187044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.187044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.187044 (E_RNA) where: Base-Base interactions energy: -101.403 where: short stacking energy: -101.403 Base-Backbone interact. energy: -0.264 local terms energy: -91.520169 where: bonds (distance) C4'-P energy: -16.631 bonds (distance) P-C4' energy: -19.589 flat angles C4'-P-C4' energy: -23.543 flat angles P-C4'-P energy: -12.663 tors. eta vs tors. theta energy: -19.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -186.511851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.511851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.511851 (E_RNA) where: Base-Base interactions energy: -101.955 where: short stacking energy: -101.955 Base-Backbone interact. energy: -0.024 local terms energy: -84.533207 where: bonds (distance) C4'-P energy: -19.019 bonds (distance) P-C4' energy: -16.212 flat angles C4'-P-C4' energy: -16.827 flat angles P-C4'-P energy: -13.666 tors. eta vs tors. theta energy: -18.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -143.999512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.999512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.999512 (E_RNA) where: Base-Base interactions energy: -71.976 where: short stacking energy: -71.976 Base-Backbone interact. energy: -0.216 local terms energy: -71.807713 where: bonds (distance) C4'-P energy: -14.214 bonds (distance) P-C4' energy: -18.837 flat angles C4'-P-C4' energy: -12.919 flat angles P-C4'-P energy: -14.048 tors. eta vs tors. theta energy: -11.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -167.027260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.027260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.027260 (E_RNA) where: Base-Base interactions energy: -83.948 where: short stacking energy: -83.948 Base-Backbone interact. energy: -0.152 local terms energy: -82.926687 where: bonds (distance) C4'-P energy: -19.721 bonds (distance) P-C4' energy: -16.991 flat angles C4'-P-C4' energy: -18.980 flat angles P-C4'-P energy: -9.893 tors. eta vs tors. theta energy: -17.341 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: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -176.889575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.889575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.889575 (E_RNA) where: Base-Base interactions energy: -92.358 where: short stacking energy: -89.323 Base-Backbone interact. energy: -0.143 local terms energy: -84.388658 where: bonds (distance) C4'-P energy: -15.425 bonds (distance) P-C4' energy: -18.654 flat angles C4'-P-C4' energy: -19.511 flat angles P-C4'-P energy: -11.373 tors. eta vs tors. theta energy: -19.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -136.930494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.930494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.930494 (E_RNA) where: Base-Base interactions energy: -61.791 where: short stacking energy: -61.791 Base-Backbone interact. energy: -0.046 local terms energy: -75.093978 where: bonds (distance) C4'-P energy: -18.667 bonds (distance) P-C4' energy: -14.514 flat angles C4'-P-C4' energy: -20.058 flat angles P-C4'-P energy: -10.423 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: 8, replica: 5 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -132.282406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.282406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.282406 (E_RNA) where: Base-Base interactions energy: -64.974 where: short stacking energy: -64.974 Base-Backbone interact. energy: 1.916 local terms energy: -69.224460 where: bonds (distance) C4'-P energy: -12.950 bonds (distance) P-C4' energy: -19.340 flat angles C4'-P-C4' energy: -13.601 flat angles P-C4'-P energy: -11.471 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: 9, replica: 1 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -118.799363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.799363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.799363 (E_RNA) where: Base-Base interactions energy: -46.406 where: short stacking energy: -46.406 Base-Backbone interact. energy: -0.233 local terms energy: -72.160396 where: bonds (distance) C4'-P energy: -19.701 bonds (distance) P-C4' energy: -18.303 flat angles C4'-P-C4' energy: -16.544 flat angles P-C4'-P energy: -10.266 tors. eta vs tors. theta energy: -7.346 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: 10, replica: 6 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -108.413983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.413983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.413983 (E_RNA) where: Base-Base interactions energy: -50.292 where: short stacking energy: -47.822 Base-Backbone interact. energy: -0.041 local terms energy: -58.081131 where: bonds (distance) C4'-P energy: -13.088 bonds (distance) P-C4' energy: -17.136 flat angles C4'-P-C4' energy: -16.298 flat angles P-C4'-P energy: -6.836 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: 3 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -202.254439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.254439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.254439 (E_RNA) where: Base-Base interactions energy: -111.196 where: short stacking energy: -111.196 Base-Backbone interact. energy: -0.003 local terms energy: -91.055570 where: bonds (distance) C4'-P energy: -16.642 bonds (distance) P-C4' energy: -20.467 flat angles C4'-P-C4' energy: -18.586 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -25.999 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: 10 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -196.433461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.433461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.433461 (E_RNA) where: Base-Base interactions energy: -105.381 where: short stacking energy: -105.381 Base-Backbone interact. energy: -0.001 local terms energy: -91.051792 where: bonds (distance) C4'-P energy: -16.559 bonds (distance) P-C4' energy: -19.001 flat angles C4'-P-C4' energy: -18.522 flat angles P-C4'-P energy: -13.012 tors. eta vs tors. theta energy: -23.957 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: 9 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -199.335462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.335462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.335462 (E_RNA) where: Base-Base interactions energy: -109.889 where: short stacking energy: -109.889 Base-Backbone interact. energy: -0.105 local terms energy: -89.341380 where: bonds (distance) C4'-P energy: -17.024 bonds (distance) P-C4' energy: -17.339 flat angles C4'-P-C4' energy: -20.625 flat angles P-C4'-P energy: -11.689 tors. eta vs tors. theta energy: -22.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -166.216931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.216931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.216931 (E_RNA) where: Base-Base interactions energy: -84.129 where: short stacking energy: -83.268 Base-Backbone interact. energy: 2.763 local terms energy: -84.850984 where: bonds (distance) C4'-P energy: -16.049 bonds (distance) P-C4' energy: -16.593 flat angles C4'-P-C4' energy: -17.179 flat angles P-C4'-P energy: -14.610 tors. eta vs tors. theta energy: -20.421 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: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -143.739269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.739269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.739269 (E_RNA) where: Base-Base interactions energy: -72.588 where: short stacking energy: -72.588 Base-Backbone interact. energy: -0.368 local terms energy: -70.783324 where: bonds (distance) C4'-P energy: -16.584 bonds (distance) P-C4' energy: -18.402 flat angles C4'-P-C4' energy: -10.550 flat angles P-C4'-P energy: -12.955 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: 7 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -168.829793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.829793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.829793 (E_RNA) where: Base-Base interactions energy: -93.067 where: short stacking energy: -93.067 Base-Backbone interact. energy: -0.124 local terms energy: -75.639631 where: bonds (distance) C4'-P energy: -13.419 bonds (distance) P-C4' energy: -15.626 flat angles C4'-P-C4' energy: -12.563 flat angles P-C4'-P energy: -8.810 tors. eta vs tors. theta energy: -25.222 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: 4 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -125.908674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.908674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.908674 (E_RNA) where: Base-Base interactions energy: -65.571 where: short stacking energy: -65.571 Base-Backbone interact. energy: -0.248 local terms energy: -60.089308 where: bonds (distance) C4'-P energy: -9.220 bonds (distance) P-C4' energy: -16.065 flat angles C4'-P-C4' energy: -15.482 flat angles P-C4'-P energy: -11.607 tors. eta vs tors. theta energy: -7.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -134.410889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.410889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.410889 (E_RNA) where: Base-Base interactions energy: -72.083 where: short stacking energy: -72.083 Base-Backbone interact. energy: -0.100 local terms energy: -62.227598 where: bonds (distance) C4'-P energy: -9.559 bonds (distance) P-C4' energy: -20.398 flat angles C4'-P-C4' energy: -16.859 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -11.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -114.102929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.102929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.102929 (E_RNA) where: Base-Base interactions energy: -51.745 where: short stacking energy: -51.745 Base-Backbone interact. energy: 1.264 local terms energy: -63.621555 where: bonds (distance) C4'-P energy: -19.598 bonds (distance) P-C4' energy: -16.879 flat angles C4'-P-C4' energy: -12.238 flat angles P-C4'-P energy: -9.201 tors. eta vs tors. theta energy: -5.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -127.368263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.368263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.368263 (E_RNA) where: Base-Base interactions energy: -58.948 where: short stacking energy: -58.948 Base-Backbone interact. energy: -0.047 local terms energy: -68.372788 where: bonds (distance) C4'-P energy: -16.559 bonds (distance) P-C4' energy: -17.061 flat angles C4'-P-C4' energy: -16.138 flat angles P-C4'-P energy: -9.296 tors. eta vs tors. theta energy: -9.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -198.541070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.541070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.541070 (E_RNA) where: Base-Base interactions energy: -108.476 where: short stacking energy: -108.476 Base-Backbone interact. energy: 0.435 local terms energy: -90.500635 where: bonds (distance) C4'-P energy: -13.350 bonds (distance) P-C4' energy: -20.056 flat angles C4'-P-C4' energy: -20.958 flat angles P-C4'-P energy: -14.690 tors. eta vs tors. theta energy: -21.446 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: 3 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -194.152911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.152911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.152911 (E_RNA) where: Base-Base interactions energy: -102.044 where: short stacking energy: -102.044 Base-Backbone interact. energy: -0.093 local terms energy: -92.016145 where: bonds (distance) C4'-P energy: -20.343 bonds (distance) P-C4' energy: -19.383 flat angles C4'-P-C4' energy: -18.150 flat angles P-C4'-P energy: -14.472 tors. eta vs tors. theta energy: -19.669 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: 9 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -204.113879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.113879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.113879 (E_RNA) where: Base-Base interactions energy: -119.476 where: short stacking energy: -119.476 Base-Backbone interact. energy: -0.001 local terms energy: -84.637208 where: bonds (distance) C4'-P energy: -10.403 bonds (distance) P-C4' energy: -14.629 flat angles C4'-P-C4' energy: -19.736 flat angles P-C4'-P energy: -12.512 tors. eta vs tors. theta energy: -27.358 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: 278 Temperature: 1.050000 Total energy: -168.485011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.485011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.485011 (E_RNA) where: Base-Base interactions energy: -69.790 where: short stacking energy: -69.790 Base-Backbone interact. energy: -0.096 local terms energy: -98.598383 where: bonds (distance) C4'-P energy: -19.222 bonds (distance) P-C4' energy: -21.070 flat angles C4'-P-C4' energy: -20.700 flat angles P-C4'-P energy: -17.437 tors. eta vs tors. theta energy: -20.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -161.684625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.684625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.684625 (E_RNA) where: Base-Base interactions energy: -86.686 where: short stacking energy: -86.686 Base-Backbone interact. energy: -0.138 local terms energy: -74.860598 where: bonds (distance) C4'-P energy: -14.021 bonds (distance) P-C4' energy: -17.519 flat angles C4'-P-C4' energy: -20.518 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -16.925 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: 7 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -156.520845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.520845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.520845 (E_RNA) where: Base-Base interactions energy: -77.284 where: short stacking energy: -77.284 Base-Backbone interact. energy: -0.009 local terms energy: -79.227764 where: bonds (distance) C4'-P energy: -14.970 bonds (distance) P-C4' energy: -19.330 flat angles C4'-P-C4' energy: -20.461 flat angles P-C4'-P energy: -11.787 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: 7, replica: 5 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -143.464798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.464798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.464798 (E_RNA) where: Base-Base interactions energy: -68.271 where: short stacking energy: -66.031 Base-Backbone interact. energy: -0.051 local terms energy: -75.143136 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -19.696 flat angles C4'-P-C4' energy: -18.718 flat angles P-C4'-P energy: -8.783 tors. eta vs tors. theta energy: -15.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -128.005998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.005998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.005998 (E_RNA) where: Base-Base interactions energy: -65.178 where: short stacking energy: -65.178 Base-Backbone interact. energy: -0.658 local terms energy: -62.169847 where: bonds (distance) C4'-P energy: -11.736 bonds (distance) P-C4' energy: -11.606 flat angles C4'-P-C4' energy: -16.714 flat angles P-C4'-P energy: -8.608 tors. eta vs tors. theta energy: -13.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -110.396215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.396215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.396215 (E_RNA) where: Base-Base interactions energy: -50.502 where: short stacking energy: -48.098 Base-Backbone interact. energy: -0.012 local terms energy: -59.882502 where: bonds (distance) C4'-P energy: -14.107 bonds (distance) P-C4' energy: -17.185 flat angles C4'-P-C4' energy: -16.572 flat angles P-C4'-P energy: -10.074 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: 1 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -113.382048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.382048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.382048 (E_RNA) where: Base-Base interactions energy: -59.348 where: short stacking energy: -56.220 Base-Backbone interact. energy: 0.420 local terms energy: -54.454844 where: bonds (distance) C4'-P energy: -17.364 bonds (distance) P-C4' energy: -16.269 flat angles C4'-P-C4' energy: -9.783 flat angles P-C4'-P energy: -10.650 tors. eta vs tors. theta energy: -0.390 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: 10 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -212.122880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.122880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.122880 (E_RNA) where: Base-Base interactions energy: -115.313 where: short stacking energy: -115.313 Base-Backbone interact. energy: -0.047 local terms energy: -96.763343 where: bonds (distance) C4'-P energy: -21.021 bonds (distance) P-C4' energy: -17.963 flat angles C4'-P-C4' energy: -18.578 flat angles P-C4'-P energy: -13.954 tors. eta vs tors. theta energy: -25.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -195.646448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.646448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.646448 (E_RNA) where: Base-Base interactions energy: -103.552 where: short stacking energy: -103.552 Base-Backbone interact. energy: -0.024 local terms energy: -92.070534 where: bonds (distance) C4'-P energy: -18.643 bonds (distance) P-C4' energy: -16.498 flat angles C4'-P-C4' energy: -17.174 flat angles P-C4'-P energy: -15.453 tors. eta vs tors. theta energy: -24.302 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: 3 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -181.956707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.956707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.956707 (E_RNA) where: Base-Base interactions energy: -104.077 where: short stacking energy: -104.077 Base-Backbone interact. energy: -0.090 local terms energy: -77.789750 where: bonds (distance) C4'-P energy: -15.411 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -17.993 flat angles P-C4'-P energy: -10.588 tors. eta vs tors. theta energy: -18.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -187.651059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.651059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.651059 (E_RNA) where: Base-Base interactions energy: -100.787 where: short stacking energy: -100.787 Base-Backbone interact. energy: -0.008 local terms energy: -86.855746 where: bonds (distance) C4'-P energy: -13.584 bonds (distance) P-C4' energy: -19.643 flat angles C4'-P-C4' energy: -17.373 flat angles P-C4'-P energy: -15.269 tors. eta vs tors. theta energy: -20.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -171.711392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.711392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.711392 (E_RNA) where: Base-Base interactions energy: -86.435 where: short stacking energy: -85.680 Base-Backbone interact. energy: -0.059 local terms energy: -85.217786 where: bonds (distance) C4'-P energy: -18.915 bonds (distance) P-C4' energy: -22.014 flat angles C4'-P-C4' energy: -18.273 flat angles P-C4'-P energy: -7.852 tors. eta vs tors. theta energy: -18.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -156.814400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.814400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.814400 (E_RNA) where: Base-Base interactions energy: -80.799 where: short stacking energy: -80.799 Base-Backbone interact. energy: 0.200 local terms energy: -76.214937 where: bonds (distance) C4'-P energy: -14.331 bonds (distance) P-C4' energy: -13.889 flat angles C4'-P-C4' energy: -19.259 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: -20.308 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: 7 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -157.471713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.471713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.471713 (E_RNA) where: Base-Base interactions energy: -81.121 where: short stacking energy: -81.121 Base-Backbone interact. energy: 1.306 local terms energy: -77.657458 where: bonds (distance) C4'-P energy: -12.895 bonds (distance) P-C4' energy: -14.833 flat angles C4'-P-C4' energy: -17.745 flat angles P-C4'-P energy: -12.850 tors. eta vs tors. theta energy: -19.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -136.995525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.995525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.995525 (E_RNA) where: Base-Base interactions energy: -73.185 where: short stacking energy: -73.185 Base-Backbone interact. energy: -0.074 local terms energy: -63.736456 where: bonds (distance) C4'-P energy: -15.709 bonds (distance) P-C4' energy: -15.741 flat angles C4'-P-C4' energy: -14.314 flat angles P-C4'-P energy: -7.899 tors. eta vs tors. theta energy: -10.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -117.990670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.990670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.990670 (E_RNA) where: Base-Base interactions energy: -56.398 where: short stacking energy: -55.720 Base-Backbone interact. energy: -0.369 local terms energy: -61.223624 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -19.625 flat angles C4'-P-C4' energy: -11.175 flat angles P-C4'-P energy: -10.542 tors. eta vs tors. theta energy: -6.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -107.396622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.396622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.396622 (E_RNA) where: Base-Base interactions energy: -48.547 where: short stacking energy: -48.547 Base-Backbone interact. energy: 0.520 local terms energy: -59.369476 where: bonds (distance) C4'-P energy: -12.780 bonds (distance) P-C4' energy: -15.000 flat angles C4'-P-C4' energy: -11.156 flat angles P-C4'-P energy: -11.476 tors. eta vs tors. theta energy: -8.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -214.060008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.060008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.060008 (E_RNA) where: Base-Base interactions energy: -113.204 where: short stacking energy: -113.204 Base-Backbone interact. energy: -0.000 local terms energy: -100.855900 where: bonds (distance) C4'-P energy: -19.148 bonds (distance) P-C4' energy: -20.669 flat angles C4'-P-C4' energy: -21.514 flat angles P-C4'-P energy: -13.165 tors. eta vs tors. theta energy: -26.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -204.497185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.497185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.497185 (E_RNA) where: Base-Base interactions energy: -109.023 where: short stacking energy: -109.023 Base-Backbone interact. energy: -1.200 local terms energy: -94.274566 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -19.185 flat angles C4'-P-C4' energy: -18.630 flat angles P-C4'-P energy: -16.030 tors. eta vs tors. theta energy: -26.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -187.191877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.191877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.191877 (E_RNA) where: Base-Base interactions energy: -110.615 where: short stacking energy: -110.948 Base-Backbone interact. energy: -0.615 local terms energy: -75.961485 where: bonds (distance) C4'-P energy: -14.536 bonds (distance) P-C4' energy: -13.734 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -11.749 tors. eta vs tors. theta energy: -20.825 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: 3 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -189.593066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.593066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.593066 (E_RNA) where: Base-Base interactions energy: -102.247 where: short stacking energy: -102.247 Base-Backbone interact. energy: -0.003 local terms energy: -87.342999 where: bonds (distance) C4'-P energy: -12.750 bonds (distance) P-C4' energy: -20.979 flat angles C4'-P-C4' energy: -18.798 flat angles P-C4'-P energy: -12.758 tors. eta vs tors. theta energy: -22.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -175.356363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.356363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.356363 (E_RNA) where: Base-Base interactions energy: -90.234 where: short stacking energy: -90.234 Base-Backbone interact. energy: -0.007 local terms energy: -85.114948 where: bonds (distance) C4'-P energy: -13.706 bonds (distance) P-C4' energy: -19.056 flat angles C4'-P-C4' energy: -17.905 flat angles P-C4'-P energy: -13.838 tors. eta vs tors. theta energy: -20.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -142.833760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.833760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.833760 (E_RNA) where: Base-Base interactions energy: -71.732 where: short stacking energy: -69.618 Base-Backbone interact. energy: -0.082 local terms energy: -71.019761 where: bonds (distance) C4'-P energy: -18.380 bonds (distance) P-C4' energy: -17.541 flat angles C4'-P-C4' energy: -16.833 flat angles P-C4'-P energy: -7.719 tors. eta vs tors. theta energy: -10.546 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: 7, replica: 7 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -160.801263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.801263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.801263 (E_RNA) where: Base-Base interactions energy: -84.745 where: short stacking energy: -84.745 Base-Backbone interact. energy: -0.115 local terms energy: -75.941376 where: bonds (distance) C4'-P energy: -18.388 bonds (distance) P-C4' energy: -16.443 flat angles C4'-P-C4' energy: -17.714 flat angles P-C4'-P energy: -8.213 tors. eta vs tors. theta energy: -15.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -117.005344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.005344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.005344 (E_RNA) where: Base-Base interactions energy: -57.024 where: short stacking energy: -57.024 Base-Backbone interact. energy: -0.431 local terms energy: -59.549753 where: bonds (distance) C4'-P energy: -5.641 bonds (distance) P-C4' energy: -19.559 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -11.246 tors. eta vs tors. theta energy: -9.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -120.515834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.515834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.515834 (E_RNA) where: Base-Base interactions energy: -56.071 where: short stacking energy: -56.069 Base-Backbone interact. energy: -0.146 local terms energy: -64.299672 where: bonds (distance) C4'-P energy: -13.579 bonds (distance) P-C4' energy: -18.762 flat angles C4'-P-C4' energy: -19.151 flat angles P-C4'-P energy: -8.670 tors. eta vs tors. theta energy: -4.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -102.142811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.142811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.142811 (E_RNA) where: Base-Base interactions energy: -42.194 where: short stacking energy: -42.194 Base-Backbone interact. energy: -0.136 local terms energy: -59.812720 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -18.678 flat angles C4'-P-C4' energy: -12.223 flat angles P-C4'-P energy: -6.176 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: 1, replica: 9 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -234.411338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.411338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.411338 (E_RNA) where: Base-Base interactions energy: -131.067 where: short stacking energy: -131.067 Base-Backbone interact. energy: -0.000 local terms energy: -103.344033 where: bonds (distance) C4'-P energy: -18.866 bonds (distance) P-C4' energy: -21.163 flat angles C4'-P-C4' energy: -20.957 flat angles P-C4'-P energy: -11.816 tors. eta vs tors. theta energy: -30.542 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: 8 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -206.481491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.481491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.481491 (E_RNA) where: Base-Base interactions energy: -105.921 where: short stacking energy: -105.921 Base-Backbone interact. energy: -0.011 local terms energy: -100.549630 where: bonds (distance) C4'-P energy: -20.310 bonds (distance) P-C4' energy: -21.871 flat angles C4'-P-C4' energy: -22.322 flat angles P-C4'-P energy: -13.707 tors. eta vs tors. theta energy: -22.340 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: 281 Temperature: 1.000000 Total energy: -194.903018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.903018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.903018 (E_RNA) where: Base-Base interactions energy: -104.588 where: short stacking energy: -104.588 Base-Backbone interact. energy: -0.000 local terms energy: -90.314530 where: bonds (distance) C4'-P energy: -16.278 bonds (distance) P-C4' energy: -18.939 flat angles C4'-P-C4' energy: -17.973 flat angles P-C4'-P energy: -12.151 tors. eta vs tors. theta energy: -24.973 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: 4, replica: 5 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -161.432163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.432163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.432163 (E_RNA) where: Base-Base interactions energy: -84.586 where: short stacking energy: -84.586 Base-Backbone interact. energy: -0.130 local terms energy: -76.715847 where: bonds (distance) C4'-P energy: -12.390 bonds (distance) P-C4' energy: -15.842 flat angles C4'-P-C4' energy: -19.223 flat angles P-C4'-P energy: -13.762 tors. eta vs tors. theta energy: -15.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -180.996392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.996392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.996392 (E_RNA) where: Base-Base interactions energy: -99.792 where: short stacking energy: -99.669 Base-Backbone interact. energy: -0.026 local terms energy: -81.178047 where: bonds (distance) C4'-P energy: -11.874 bonds (distance) P-C4' energy: -16.323 flat angles C4'-P-C4' energy: -19.736 flat angles P-C4'-P energy: -13.601 tors. eta vs tors. theta energy: -19.643 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: 2 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -148.105584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.105584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.105584 (E_RNA) where: Base-Base interactions energy: -72.550 where: short stacking energy: -72.550 Base-Backbone interact. energy: -0.132 local terms energy: -75.423859 where: bonds (distance) C4'-P energy: -14.746 bonds (distance) P-C4' energy: -17.836 flat angles C4'-P-C4' energy: -22.283 flat angles P-C4'-P energy: -7.744 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: 7, replica: 7 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -130.572479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.572479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.572479 (E_RNA) where: Base-Base interactions energy: -57.459 where: short stacking energy: -57.459 Base-Backbone interact. energy: -0.094 local terms energy: -73.019356 where: bonds (distance) C4'-P energy: -13.110 bonds (distance) P-C4' energy: -16.840 flat angles C4'-P-C4' energy: -19.996 flat angles P-C4'-P energy: -15.740 tors. eta vs tors. theta energy: -7.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -127.863221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.863221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.863221 (E_RNA) where: Base-Base interactions energy: -57.113 where: short stacking energy: -57.113 Base-Backbone interact. energy: -0.179 local terms energy: -70.571089 where: bonds (distance) C4'-P energy: -14.762 bonds (distance) P-C4' energy: -17.771 flat angles C4'-P-C4' energy: -19.207 flat angles P-C4'-P energy: -8.480 tors. eta vs tors. theta energy: -10.352 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: 6 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -126.024681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.024681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.024681 (E_RNA) where: Base-Base interactions energy: -53.756 where: short stacking energy: -53.231 Base-Backbone interact. energy: -0.190 local terms energy: -72.079154 where: bonds (distance) C4'-P energy: -19.303 bonds (distance) P-C4' energy: -19.027 flat angles C4'-P-C4' energy: -9.644 flat angles P-C4'-P energy: -16.115 tors. eta vs tors. theta energy: -7.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -116.715014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.715014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.715014 (E_RNA) where: Base-Base interactions energy: -63.762 where: short stacking energy: -63.862 Base-Backbone interact. energy: 0.091 local terms energy: -53.043955 where: bonds (distance) C4'-P energy: -15.368 bonds (distance) P-C4' energy: -8.500 flat angles C4'-P-C4' energy: -12.634 flat angles P-C4'-P energy: -12.528 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: 9 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -226.440940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.440940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.440940 (E_RNA) where: Base-Base interactions energy: -128.856 where: short stacking energy: -128.856 Base-Backbone interact. energy: -0.000 local terms energy: -97.584948 where: bonds (distance) C4'-P energy: -16.603 bonds (distance) P-C4' energy: -19.116 flat angles C4'-P-C4' energy: -17.687 flat angles P-C4'-P energy: -12.410 tors. eta vs tors. theta energy: -31.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -209.235788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.235788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.235788 (E_RNA) where: Base-Base interactions energy: -113.526 where: short stacking energy: -113.526 Base-Backbone interact. energy: -0.000 local terms energy: -95.709139 where: bonds (distance) C4'-P energy: -22.682 bonds (distance) P-C4' energy: -19.325 flat angles C4'-P-C4' energy: -18.911 flat angles P-C4'-P energy: -11.754 tors. eta vs tors. theta energy: -23.038 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: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -198.010629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.010629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.010629 (E_RNA) where: Base-Base interactions energy: -106.325 where: short stacking energy: -106.325 Base-Backbone interact. energy: 0.151 local terms energy: -91.836716 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -19.537 flat angles C4'-P-C4' energy: -19.566 flat angles P-C4'-P energy: -14.303 tors. eta vs tors. theta energy: -25.110 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: 4, replica: 10 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -179.796639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.796639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.796639 (E_RNA) where: Base-Base interactions energy: -97.427 where: short stacking energy: -97.427 Base-Backbone interact. energy: -0.027 local terms energy: -82.342747 where: bonds (distance) C4'-P energy: -14.679 bonds (distance) P-C4' energy: -17.269 flat angles C4'-P-C4' energy: -17.644 flat angles P-C4'-P energy: -9.760 tors. eta vs tors. theta energy: -22.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -157.789708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.789708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.789708 (E_RNA) where: Base-Base interactions energy: -78.149 where: short stacking energy: -78.149 Base-Backbone interact. energy: 0.523 local terms energy: -80.163794 where: bonds (distance) C4'-P energy: -14.973 bonds (distance) P-C4' energy: -18.381 flat angles C4'-P-C4' energy: -16.913 flat angles P-C4'-P energy: -13.080 tors. eta vs tors. theta energy: -16.817 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: 6, replica: 2 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -144.547251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.547251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.547251 (E_RNA) where: Base-Base interactions energy: -70.125 where: short stacking energy: -70.125 Base-Backbone interact. energy: -0.003 local terms energy: -74.419032 where: bonds (distance) C4'-P energy: -20.505 bonds (distance) P-C4' energy: -12.176 flat angles C4'-P-C4' energy: -15.981 flat angles P-C4'-P energy: -11.528 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: 7, replica: 7 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -138.437747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.437747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.437747 (E_RNA) where: Base-Base interactions energy: -68.048 where: short stacking energy: -63.728 Base-Backbone interact. energy: -0.026 local terms energy: -70.363278 where: bonds (distance) C4'-P energy: -17.743 bonds (distance) P-C4' energy: -14.505 flat angles C4'-P-C4' energy: -18.853 flat angles P-C4'-P energy: -6.168 tors. eta vs tors. theta energy: -13.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -141.879427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.879427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.879427 (E_RNA) where: Base-Base interactions energy: -80.512 where: short stacking energy: -80.512 Base-Backbone interact. energy: -0.044 local terms energy: -61.323709 where: bonds (distance) C4'-P energy: -18.641 bonds (distance) P-C4' energy: -9.067 flat angles C4'-P-C4' energy: -13.698 flat angles P-C4'-P energy: -8.869 tors. eta vs tors. theta energy: -11.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -121.562610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.562610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.562610 (E_RNA) where: Base-Base interactions energy: -53.626 where: short stacking energy: -53.281 Base-Backbone interact. energy: -0.593 local terms energy: -67.343627 where: bonds (distance) C4'-P energy: -16.115 bonds (distance) P-C4' energy: -17.811 flat angles C4'-P-C4' energy: -13.550 flat angles P-C4'-P energy: -10.040 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: 10, replica: 6 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -124.585202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.585202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.585202 (E_RNA) where: Base-Base interactions energy: -54.317 where: short stacking energy: -54.054 Base-Backbone interact. energy: -0.082 local terms energy: -70.186791 where: bonds (distance) C4'-P energy: -17.928 bonds (distance) P-C4' energy: -18.865 flat angles C4'-P-C4' energy: -14.049 flat angles P-C4'-P energy: -11.815 tors. eta vs tors. theta energy: -7.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -217.082888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.082888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.082888 (E_RNA) where: Base-Base interactions energy: -119.133 where: short stacking energy: -119.133 Base-Backbone interact. energy: -0.000 local terms energy: -97.949641 where: bonds (distance) C4'-P energy: -17.954 bonds (distance) P-C4' energy: -18.439 flat angles C4'-P-C4' energy: -19.455 flat angles P-C4'-P energy: -13.824 tors. eta vs tors. theta energy: -28.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -191.305867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.305867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.305867 (E_RNA) where: Base-Base interactions energy: -95.142 where: short stacking energy: -95.142 Base-Backbone interact. energy: -0.007 local terms energy: -96.157037 where: bonds (distance) C4'-P energy: -16.447 bonds (distance) P-C4' energy: -20.584 flat angles C4'-P-C4' energy: -22.732 flat angles P-C4'-P energy: -15.655 tors. eta vs tors. theta energy: -20.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -193.860437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.860437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.860437 (E_RNA) where: Base-Base interactions energy: -102.772 where: short stacking energy: -102.772 Base-Backbone interact. energy: -0.045 local terms energy: -91.044174 where: bonds (distance) C4'-P energy: -18.513 bonds (distance) P-C4' energy: -19.478 flat angles C4'-P-C4' energy: -19.045 flat angles P-C4'-P energy: -13.968 tors. eta vs tors. theta energy: -20.039 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: 10 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -180.967413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.967413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.967413 (E_RNA) where: Base-Base interactions energy: -97.973 where: short stacking energy: -97.973 Base-Backbone interact. energy: -0.036 local terms energy: -82.959197 where: bonds (distance) C4'-P energy: -15.239 bonds (distance) P-C4' energy: -17.912 flat angles C4'-P-C4' energy: -15.725 flat angles P-C4'-P energy: -13.800 tors. eta vs tors. theta energy: -20.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -182.635386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.635386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.635386 (E_RNA) where: Base-Base interactions energy: -91.285 where: short stacking energy: -91.285 Base-Backbone interact. energy: -0.000 local terms energy: -91.349927 where: bonds (distance) C4'-P energy: -20.065 bonds (distance) P-C4' energy: -19.641 flat angles C4'-P-C4' energy: -19.277 flat angles P-C4'-P energy: -11.812 tors. eta vs tors. theta energy: -20.554 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: 283 Temperature: 1.150000 Total energy: -154.479675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.479675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.479675 (E_RNA) where: Base-Base interactions energy: -77.456 where: short stacking energy: -77.165 Base-Backbone interact. energy: -0.011 local terms energy: -77.012341 where: bonds (distance) C4'-P energy: -14.262 bonds (distance) P-C4' energy: -16.495 flat angles C4'-P-C4' energy: -19.627 flat angles P-C4'-P energy: -10.100 tors. eta vs tors. theta energy: -16.529 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: 2 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -157.284392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.284392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.284392 (E_RNA) where: Base-Base interactions energy: -88.534 where: short stacking energy: -88.534 Base-Backbone interact. energy: -0.002 local terms energy: -68.748740 where: bonds (distance) C4'-P energy: -10.975 bonds (distance) P-C4' energy: -15.141 flat angles C4'-P-C4' energy: -19.120 flat angles P-C4'-P energy: -9.249 tors. eta vs tors. theta energy: -14.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -134.193929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.193929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.193929 (E_RNA) where: Base-Base interactions energy: -59.710 where: short stacking energy: -59.428 Base-Backbone interact. energy: -0.073 local terms energy: -74.410989 where: bonds (distance) C4'-P energy: -18.662 bonds (distance) P-C4' energy: -19.766 flat angles C4'-P-C4' energy: -17.471 flat angles P-C4'-P energy: -11.726 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: 9, replica: 4 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -125.621888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.621888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.621888 (E_RNA) where: Base-Base interactions energy: -55.461 where: short stacking energy: -55.461 Base-Backbone interact. energy: 0.807 local terms energy: -70.967333 where: bonds (distance) C4'-P energy: -17.056 bonds (distance) P-C4' energy: -21.557 flat angles C4'-P-C4' energy: -16.019 flat angles P-C4'-P energy: -7.431 tors. eta vs tors. theta energy: -8.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -107.708083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.708083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.708083 (E_RNA) where: Base-Base interactions energy: -48.299 where: short stacking energy: -48.299 Base-Backbone interact. energy: -0.234 local terms energy: -59.174538 where: bonds (distance) C4'-P energy: -13.755 bonds (distance) P-C4' energy: -17.427 flat angles C4'-P-C4' energy: -17.370 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -5.500 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: 9 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -207.311228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.311228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.311228 (E_RNA) where: Base-Base interactions energy: -108.432 where: short stacking energy: -108.432 Base-Backbone interact. energy: -0.000 local terms energy: -98.878813 where: bonds (distance) C4'-P energy: -18.570 bonds (distance) P-C4' energy: -18.830 flat angles C4'-P-C4' energy: -20.554 flat angles P-C4'-P energy: -14.285 tors. eta vs tors. theta energy: -26.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -199.368377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.368377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.368377 (E_RNA) where: Base-Base interactions energy: -105.664 where: short stacking energy: -105.664 Base-Backbone interact. energy: -0.005 local terms energy: -93.699092 where: bonds (distance) C4'-P energy: -18.626 bonds (distance) P-C4' energy: -19.784 flat angles C4'-P-C4' energy: -20.657 flat angles P-C4'-P energy: -11.480 tors. eta vs tors. theta energy: -23.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -187.546430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.546430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.546430 (E_RNA) where: Base-Base interactions energy: -98.573 where: short stacking energy: -98.573 Base-Backbone interact. energy: -0.054 local terms energy: -88.919556 where: bonds (distance) C4'-P energy: -15.740 bonds (distance) P-C4' energy: -20.520 flat angles C4'-P-C4' energy: -20.954 flat angles P-C4'-P energy: -13.490 tors. eta vs tors. theta energy: -18.216 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: 4, replica: 10 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -160.884789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.884789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.884789 (E_RNA) where: Base-Base interactions energy: -82.000 where: short stacking energy: -82.000 Base-Backbone interact. energy: -0.782 local terms energy: -78.103547 where: bonds (distance) C4'-P energy: -14.766 bonds (distance) P-C4' energy: -19.141 flat angles C4'-P-C4' energy: -17.900 flat angles P-C4'-P energy: -12.869 tors. eta vs tors. theta energy: -13.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -172.971540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.971540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.971540 (E_RNA) where: Base-Base interactions energy: -85.667 where: short stacking energy: -85.667 Base-Backbone interact. energy: -0.007 local terms energy: -87.297624 where: bonds (distance) C4'-P energy: -18.087 bonds (distance) P-C4' energy: -18.347 flat angles C4'-P-C4' energy: -19.485 flat angles P-C4'-P energy: -11.572 tors. eta vs tors. theta energy: -19.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -147.769997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.769997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.769997 (E_RNA) where: Base-Base interactions energy: -74.638 where: short stacking energy: -74.586 Base-Backbone interact. energy: -0.172 local terms energy: -72.960036 where: bonds (distance) C4'-P energy: -10.249 bonds (distance) P-C4' energy: -17.345 flat angles C4'-P-C4' energy: -17.826 flat angles P-C4'-P energy: -10.714 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: 7, replica: 1 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -133.674669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.674669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.674669 (E_RNA) where: Base-Base interactions energy: -67.074 where: short stacking energy: -61.736 Base-Backbone interact. energy: -0.104 local terms energy: -66.496831 where: bonds (distance) C4'-P energy: -10.985 bonds (distance) P-C4' energy: -19.128 flat angles C4'-P-C4' energy: -15.172 flat angles P-C4'-P energy: -8.212 tors. eta vs tors. theta energy: -13.000 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: 8, replica: 2 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -151.996015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.996015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.996015 (E_RNA) where: Base-Base interactions energy: -74.255 where: short stacking energy: -72.081 Base-Backbone interact. energy: -0.143 local terms energy: -77.597652 where: bonds (distance) C4'-P energy: -16.651 bonds (distance) P-C4' energy: -20.309 flat angles C4'-P-C4' energy: -18.354 flat angles P-C4'-P energy: -8.330 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: 9, replica: 6 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -123.519906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.519906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.519906 (E_RNA) where: Base-Base interactions energy: -55.530 where: short stacking energy: -55.530 Base-Backbone interact. energy: -0.087 local terms energy: -67.902938 where: bonds (distance) C4'-P energy: -19.872 bonds (distance) P-C4' energy: -16.107 flat angles C4'-P-C4' energy: -14.507 flat angles P-C4'-P energy: -11.769 tors. eta vs tors. theta energy: -5.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -126.691229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.691229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.691229 (E_RNA) where: Base-Base interactions energy: -55.567 where: short stacking energy: -55.667 Base-Backbone interact. energy: -0.207 local terms energy: -70.916733 where: bonds (distance) C4'-P energy: -18.013 bonds (distance) P-C4' energy: -17.757 flat angles C4'-P-C4' energy: -21.323 flat angles P-C4'-P energy: -7.553 tors. eta vs tors. theta energy: -6.270 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: 9 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -213.947051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.947051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.947051 (E_RNA) where: Base-Base interactions energy: -117.525 where: short stacking energy: -117.525 Base-Backbone interact. energy: -0.018 local terms energy: -96.404462 where: bonds (distance) C4'-P energy: -17.363 bonds (distance) P-C4' energy: -19.809 flat angles C4'-P-C4' energy: -21.739 flat angles P-C4'-P energy: -13.723 tors. eta vs tors. theta energy: -23.771 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: 8 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -196.088368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.088368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.088368 (E_RNA) where: Base-Base interactions energy: -104.767 where: short stacking energy: -104.767 Base-Backbone interact. energy: -0.001 local terms energy: -91.319995 where: bonds (distance) C4'-P energy: -19.085 bonds (distance) P-C4' energy: -20.343 flat angles C4'-P-C4' energy: -20.261 flat angles P-C4'-P energy: -8.780 tors. eta vs tors. theta energy: -22.850 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: 5 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -204.146560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.146560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.146560 (E_RNA) where: Base-Base interactions energy: -108.691 where: short stacking energy: -108.691 Base-Backbone interact. energy: -0.000 local terms energy: -95.454804 where: bonds (distance) C4'-P energy: -15.911 bonds (distance) P-C4' energy: -20.666 flat angles C4'-P-C4' energy: -18.557 flat angles P-C4'-P energy: -12.674 tors. eta vs tors. theta energy: -27.647 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: 3 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -181.689838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.689838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.689838 (E_RNA) where: Base-Base interactions energy: -95.173 where: short stacking energy: -95.173 Base-Backbone interact. energy: -0.002 local terms energy: -86.514982 where: bonds (distance) C4'-P energy: -17.698 bonds (distance) P-C4' energy: -17.551 flat angles C4'-P-C4' energy: -20.753 flat angles P-C4'-P energy: -9.052 tors. eta vs tors. theta energy: -21.460 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: 10 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -144.260432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.260432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.260432 (E_RNA) where: Base-Base interactions energy: -66.928 where: short stacking energy: -66.928 Base-Backbone interact. energy: -0.075 local terms energy: -77.257737 where: bonds (distance) C4'-P energy: -15.798 bonds (distance) P-C4' energy: -18.095 flat angles C4'-P-C4' energy: -14.929 flat angles P-C4'-P energy: -13.558 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: 6, replica: 1 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -164.664997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.664997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.664997 (E_RNA) where: Base-Base interactions energy: -78.696 where: short stacking energy: -78.696 Base-Backbone interact. energy: -0.363 local terms energy: -85.606249 where: bonds (distance) C4'-P energy: -16.680 bonds (distance) P-C4' energy: -20.624 flat angles C4'-P-C4' energy: -19.343 flat angles P-C4'-P energy: -12.465 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: 7, replica: 7 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -157.802923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.802923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.802923 (E_RNA) where: Base-Base interactions energy: -75.132 where: short stacking energy: -75.132 Base-Backbone interact. energy: 0.784 local terms energy: -83.454766 where: bonds (distance) C4'-P energy: -16.252 bonds (distance) P-C4' energy: -21.849 flat angles C4'-P-C4' energy: -16.101 flat angles P-C4'-P energy: -15.467 tors. eta vs tors. theta energy: -13.785 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: 2 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -158.709056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.709056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.709056 (E_RNA) where: Base-Base interactions energy: -86.365 where: short stacking energy: -86.365 Base-Backbone interact. energy: 0.102 local terms energy: -72.446212 where: bonds (distance) C4'-P energy: -14.576 bonds (distance) P-C4' energy: -17.700 flat angles C4'-P-C4' energy: -15.056 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -15.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -110.785124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.785124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.785124 (E_RNA) where: Base-Base interactions energy: -57.169 where: short stacking energy: -56.963 Base-Backbone interact. energy: 0.413 local terms energy: -54.029533 where: bonds (distance) C4'-P energy: -14.876 bonds (distance) P-C4' energy: -15.165 flat angles C4'-P-C4' energy: -14.503 flat angles P-C4'-P energy: -3.080 tors. eta vs tors. theta energy: -6.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -134.829645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.829645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.829645 (E_RNA) where: Base-Base interactions energy: -62.523 where: short stacking energy: -62.523 Base-Backbone interact. energy: -0.377 local terms energy: -71.929185 where: bonds (distance) C4'-P energy: -15.968 bonds (distance) P-C4' energy: -17.170 flat angles C4'-P-C4' energy: -15.351 flat angles P-C4'-P energy: -10.985 tors. eta vs tors. theta energy: -12.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -202.575575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.575575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.575575 (E_RNA) where: Base-Base interactions energy: -110.394 where: short stacking energy: -110.394 Base-Backbone interact. energy: -0.004 local terms energy: -92.177399 where: bonds (distance) C4'-P energy: -21.072 bonds (distance) P-C4' energy: -16.467 flat angles C4'-P-C4' energy: -19.570 flat angles P-C4'-P energy: -14.456 tors. eta vs tors. theta energy: -20.612 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: 8 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -190.620479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.620479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.620479 (E_RNA) where: Base-Base interactions energy: -96.508 where: short stacking energy: -96.508 Base-Backbone interact. energy: -0.027 local terms energy: -94.085750 where: bonds (distance) C4'-P energy: -19.527 bonds (distance) P-C4' energy: -20.384 flat angles C4'-P-C4' energy: -19.895 flat angles P-C4'-P energy: -14.401 tors. eta vs tors. theta energy: -19.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -200.669867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.669867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.669867 (E_RNA) where: Base-Base interactions energy: -100.647 where: short stacking energy: -100.647 Base-Backbone interact. energy: 0.101 local terms energy: -100.123111 where: bonds (distance) C4'-P energy: -20.243 bonds (distance) P-C4' energy: -18.259 flat angles C4'-P-C4' energy: -20.908 flat angles P-C4'-P energy: -15.051 tors. eta vs tors. theta energy: -25.663 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: 3 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -173.493739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.493739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.493739 (E_RNA) where: Base-Base interactions energy: -92.901 where: short stacking energy: -92.901 Base-Backbone interact. energy: -0.075 local terms energy: -80.518204 where: bonds (distance) C4'-P energy: -14.302 bonds (distance) P-C4' energy: -19.703 flat angles C4'-P-C4' energy: -20.950 flat angles P-C4'-P energy: -11.304 tors. eta vs tors. theta energy: -14.259 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: 10 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -170.975553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.975553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.975553 (E_RNA) where: Base-Base interactions energy: -90.773 where: short stacking energy: -90.773 Base-Backbone interact. energy: -0.028 local terms energy: -80.174948 where: bonds (distance) C4'-P energy: -15.168 bonds (distance) P-C4' energy: -17.227 flat angles C4'-P-C4' energy: -19.590 flat angles P-C4'-P energy: -10.810 tors. eta vs tors. theta energy: -17.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -130.499239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.499239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.499239 (E_RNA) where: Base-Base interactions energy: -57.540 where: short stacking energy: -57.486 Base-Backbone interact. energy: -0.090 local terms energy: -72.869878 where: bonds (distance) C4'-P energy: -18.249 bonds (distance) P-C4' energy: -20.157 flat angles C4'-P-C4' energy: -18.958 flat angles P-C4'-P energy: -10.465 tors. eta vs tors. theta energy: -5.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -144.633099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.633099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.633099 (E_RNA) where: Base-Base interactions energy: -72.446 where: short stacking energy: -72.446 Base-Backbone interact. energy: 2.657 local terms energy: -74.843788 where: bonds (distance) C4'-P energy: -16.622 bonds (distance) P-C4' energy: -20.292 flat angles C4'-P-C4' energy: -15.400 flat angles P-C4'-P energy: -7.879 tors. eta vs tors. theta energy: -14.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -129.163762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.163762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.163762 (E_RNA) where: Base-Base interactions energy: -64.459 where: short stacking energy: -64.459 Base-Backbone interact. energy: -0.171 local terms energy: -64.533747 where: bonds (distance) C4'-P energy: -13.544 bonds (distance) P-C4' energy: -12.655 flat angles C4'-P-C4' energy: -13.277 flat angles P-C4'-P energy: -13.469 tors. eta vs tors. theta energy: -11.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -126.060897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.060897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.060897 (E_RNA) where: Base-Base interactions energy: -71.244 where: short stacking energy: -71.244 Base-Backbone interact. energy: -0.243 local terms energy: -54.573718 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -16.060 flat angles C4'-P-C4' energy: -9.165 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -10.924 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: 6 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -111.365445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.365445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.365445 (E_RNA) where: Base-Base interactions energy: -56.057 where: short stacking energy: -53.753 Base-Backbone interact. energy: 0.012 local terms energy: -55.320857 where: bonds (distance) C4'-P energy: -11.582 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -16.764 flat angles P-C4'-P energy: -7.364 tors. eta vs tors. theta energy: -3.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -201.727298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.727298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.727298 (E_RNA) where: Base-Base interactions energy: -103.704 where: short stacking energy: -103.704 Base-Backbone interact. energy: -0.028 local terms energy: -97.995348 where: bonds (distance) C4'-P energy: -14.650 bonds (distance) P-C4' energy: -21.182 flat angles C4'-P-C4' energy: -20.672 flat angles P-C4'-P energy: -17.433 tors. eta vs tors. theta energy: -24.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -196.729912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.729912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.729912 (E_RNA) where: Base-Base interactions energy: -106.977 where: short stacking energy: -106.977 Base-Backbone interact. energy: -0.002 local terms energy: -89.751869 where: bonds (distance) C4'-P energy: -17.732 bonds (distance) P-C4' energy: -15.389 flat angles C4'-P-C4' energy: -21.873 flat angles P-C4'-P energy: -11.438 tors. eta vs tors. theta energy: -23.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -197.615070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.615070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.615070 (E_RNA) where: Base-Base interactions energy: -107.960 where: short stacking energy: -107.960 Base-Backbone interact. energy: -0.540 local terms energy: -89.114418 where: bonds (distance) C4'-P energy: -14.302 bonds (distance) P-C4' energy: -18.974 flat angles C4'-P-C4' energy: -18.288 flat angles P-C4'-P energy: -11.942 tors. eta vs tors. theta energy: -25.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -182.449306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.449306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.449306 (E_RNA) where: Base-Base interactions energy: -95.518 where: short stacking energy: -95.518 Base-Backbone interact. energy: -0.002 local terms energy: -86.928743 where: bonds (distance) C4'-P energy: -16.991 bonds (distance) P-C4' energy: -18.925 flat angles C4'-P-C4' energy: -15.847 flat angles P-C4'-P energy: -17.015 tors. eta vs tors. theta energy: -18.151 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: 5, replica: 3 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -156.522214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.522214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.522214 (E_RNA) where: Base-Base interactions energy: -74.935 where: short stacking energy: -74.935 Base-Backbone interact. energy: -0.200 local terms energy: -81.387500 where: bonds (distance) C4'-P energy: -14.562 bonds (distance) P-C4' energy: -21.497 flat angles C4'-P-C4' energy: -17.104 flat angles P-C4'-P energy: -14.700 tors. eta vs tors. theta energy: -13.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -158.698582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.698582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.698582 (E_RNA) where: Base-Base interactions energy: -78.206 where: short stacking energy: -78.206 Base-Backbone interact. energy: 0.018 local terms energy: -80.510861 where: bonds (distance) C4'-P energy: -17.860 bonds (distance) P-C4' energy: -17.326 flat angles C4'-P-C4' energy: -18.240 flat angles P-C4'-P energy: -10.363 tors. eta vs tors. theta energy: -16.722 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: 1 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -137.108425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.108425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.108425 (E_RNA) where: Base-Base interactions energy: -58.340 where: short stacking energy: -56.136 Base-Backbone interact. energy: -0.376 local terms energy: -78.392202 where: bonds (distance) C4'-P energy: -17.148 bonds (distance) P-C4' energy: -20.546 flat angles C4'-P-C4' energy: -18.598 flat angles P-C4'-P energy: -15.316 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: 7 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -127.750148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.750148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.750148 (E_RNA) where: Base-Base interactions energy: -60.683 where: short stacking energy: -60.683 Base-Backbone interact. energy: -0.611 local terms energy: -66.456315 where: bonds (distance) C4'-P energy: -15.607 bonds (distance) P-C4' energy: -17.156 flat angles C4'-P-C4' energy: -15.022 flat angles P-C4'-P energy: -8.807 tors. eta vs tors. theta energy: -9.864 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: 4 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -145.354964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.354964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.354964 (E_RNA) where: Base-Base interactions energy: -68.187 where: short stacking energy: -68.187 Base-Backbone interact. energy: -0.117 local terms energy: -77.051027 where: bonds (distance) C4'-P energy: -13.904 bonds (distance) P-C4' energy: -19.502 flat angles C4'-P-C4' energy: -18.118 flat angles P-C4'-P energy: -10.707 tors. eta vs tors. theta energy: -14.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -110.561218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.561218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.561218 (E_RNA) where: Base-Base interactions energy: -54.043 where: short stacking energy: -54.043 Base-Backbone interact. energy: -0.266 local terms energy: -56.252349 where: bonds (distance) C4'-P energy: -14.813 bonds (distance) P-C4' energy: -16.189 flat angles C4'-P-C4' energy: -14.082 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -5.802 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: 5 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -212.403888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.403888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.403888 (E_RNA) where: Base-Base interactions energy: -109.706 where: short stacking energy: -109.706 Base-Backbone interact. energy: -0.017 local terms energy: -102.680340 where: bonds (distance) C4'-P energy: -21.026 bonds (distance) P-C4' energy: -20.915 flat angles C4'-P-C4' energy: -22.014 flat angles P-C4'-P energy: -12.671 tors. eta vs tors. theta energy: -26.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -206.818608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.818608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.818608 (E_RNA) where: Base-Base interactions energy: -108.550 where: short stacking energy: -108.295 Base-Backbone interact. energy: 0.703 local terms energy: -98.971481 where: bonds (distance) C4'-P energy: -15.822 bonds (distance) P-C4' energy: -20.979 flat angles C4'-P-C4' energy: -20.947 flat angles P-C4'-P energy: -15.337 tors. eta vs tors. theta energy: -25.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -191.781385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.781385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.781385 (E_RNA) where: Base-Base interactions energy: -107.193 where: short stacking energy: -107.193 Base-Backbone interact. energy: -0.012 local terms energy: -84.576098 where: bonds (distance) C4'-P energy: -10.815 bonds (distance) P-C4' energy: -18.601 flat angles C4'-P-C4' energy: -19.503 flat angles P-C4'-P energy: -11.624 tors. eta vs tors. theta energy: -24.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -174.080021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.080021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.080021 (E_RNA) where: Base-Base interactions energy: -91.628 where: short stacking energy: -91.628 Base-Backbone interact. energy: -0.039 local terms energy: -82.412861 where: bonds (distance) C4'-P energy: -15.153 bonds (distance) P-C4' energy: -20.066 flat angles C4'-P-C4' energy: -17.314 flat angles P-C4'-P energy: -8.712 tors. eta vs tors. theta energy: -21.168 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: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -158.205886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.205886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.205886 (E_RNA) where: Base-Base interactions energy: -77.262 where: short stacking energy: -77.262 Base-Backbone interact. energy: -0.725 local terms energy: -80.218951 where: bonds (distance) C4'-P energy: -15.645 bonds (distance) P-C4' energy: -20.915 flat angles C4'-P-C4' energy: -18.356 flat angles P-C4'-P energy: -14.234 tors. eta vs tors. theta energy: -11.070 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: 3 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -150.876005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.876005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.876005 (E_RNA) where: Base-Base interactions energy: -72.744 where: short stacking energy: -72.944 Base-Backbone interact. energy: -0.038 local terms energy: -78.094075 where: bonds (distance) C4'-P energy: -15.927 bonds (distance) P-C4' energy: -20.757 flat angles C4'-P-C4' energy: -15.286 flat angles P-C4'-P energy: -15.301 tors. eta vs tors. theta energy: -10.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -145.733371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.733371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.733371 (E_RNA) where: Base-Base interactions energy: -69.346 where: short stacking energy: -69.346 Base-Backbone interact. energy: -0.445 local terms energy: -75.941980 where: bonds (distance) C4'-P energy: -18.409 bonds (distance) P-C4' energy: -17.410 flat angles C4'-P-C4' energy: -16.254 flat angles P-C4'-P energy: -11.969 tors. eta vs tors. theta energy: -11.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -113.204222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.204222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.204222 (E_RNA) where: Base-Base interactions energy: -53.126 where: short stacking energy: -49.984 Base-Backbone interact. energy: -0.269 local terms energy: -59.809457 where: bonds (distance) C4'-P energy: -12.863 bonds (distance) P-C4' energy: -18.031 flat angles C4'-P-C4' energy: -12.163 flat angles P-C4'-P energy: -13.556 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: 9, replica: 6 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -118.123930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.123930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.123930 (E_RNA) where: Base-Base interactions energy: -46.191 where: short stacking energy: -46.191 Base-Backbone interact. energy: -0.085 local terms energy: -71.848140 where: bonds (distance) C4'-P energy: -14.039 bonds (distance) P-C4' energy: -19.488 flat angles C4'-P-C4' energy: -18.322 flat angles P-C4'-P energy: -14.220 tors. eta vs tors. theta energy: -5.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -117.195933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.195933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.195933 (E_RNA) where: Base-Base interactions energy: -58.439 where: short stacking energy: -58.162 Base-Backbone interact. energy: -0.160 local terms energy: -58.597460 where: bonds (distance) C4'-P energy: -7.511 bonds (distance) P-C4' energy: -15.753 flat angles C4'-P-C4' energy: -17.787 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -10.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -200.070390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.070390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.070390 (E_RNA) where: Base-Base interactions energy: -105.509 where: short stacking energy: -105.509 Base-Backbone interact. energy: 0.274 local terms energy: -94.835442 where: bonds (distance) C4'-P energy: -20.413 bonds (distance) P-C4' energy: -20.988 flat angles C4'-P-C4' energy: -20.344 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: -23.605 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: 8 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -193.696350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.696350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.696350 (E_RNA) where: Base-Base interactions energy: -101.725 where: short stacking energy: -101.725 Base-Backbone interact. energy: -1.366 local terms energy: -90.605671 where: bonds (distance) C4'-P energy: -19.072 bonds (distance) P-C4' energy: -18.143 flat angles C4'-P-C4' energy: -19.917 flat angles P-C4'-P energy: -9.962 tors. eta vs tors. theta energy: -23.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -189.589522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.589522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.589522 (E_RNA) where: Base-Base interactions energy: -107.779 where: short stacking energy: -107.779 Base-Backbone interact. energy: -0.011 local terms energy: -81.799680 where: bonds (distance) C4'-P energy: -15.388 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -17.678 flat angles P-C4'-P energy: -10.199 tors. eta vs tors. theta energy: -23.384 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: 2 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -200.111699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.111699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.111699 (E_RNA) where: Base-Base interactions energy: -104.708 where: short stacking energy: -104.708 Base-Backbone interact. energy: -0.037 local terms energy: -95.366296 where: bonds (distance) C4'-P energy: -13.794 bonds (distance) P-C4' energy: -18.927 flat angles C4'-P-C4' energy: -20.416 flat angles P-C4'-P energy: -16.944 tors. eta vs tors. theta energy: -25.284 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: 10 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -162.165119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.165119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.165119 (E_RNA) where: Base-Base interactions energy: -80.248 where: short stacking energy: -80.248 Base-Backbone interact. energy: -0.074 local terms energy: -81.842932 where: bonds (distance) C4'-P energy: -19.491 bonds (distance) P-C4' energy: -18.273 flat angles C4'-P-C4' energy: -18.472 flat angles P-C4'-P energy: -12.114 tors. eta vs tors. theta energy: -13.492 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: 6, replica: 3 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -148.483611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.483611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.483611 (E_RNA) where: Base-Base interactions energy: -77.577 where: short stacking energy: -77.577 Base-Backbone interact. energy: -0.111 local terms energy: -70.795092 where: bonds (distance) C4'-P energy: -13.669 bonds (distance) P-C4' energy: -20.799 flat angles C4'-P-C4' energy: -15.025 flat angles P-C4'-P energy: -7.654 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: 7, replica: 7 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -138.195551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.195551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.195551 (E_RNA) where: Base-Base interactions energy: -56.174 where: short stacking energy: -56.174 Base-Backbone interact. energy: 0.386 local terms energy: -82.407246 where: bonds (distance) C4'-P energy: -17.875 bonds (distance) P-C4' energy: -20.405 flat angles C4'-P-C4' energy: -17.080 flat angles P-C4'-P energy: -15.102 tors. eta vs tors. theta energy: -11.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -140.777802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.777802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.777802 (E_RNA) where: Base-Base interactions energy: -57.851 where: short stacking energy: -57.851 Base-Backbone interact. energy: -0.106 local terms energy: -82.821347 where: bonds (distance) C4'-P energy: -19.053 bonds (distance) P-C4' energy: -20.460 flat angles C4'-P-C4' energy: -17.481 flat angles P-C4'-P energy: -11.882 tors. eta vs tors. theta energy: -13.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -121.363030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.363030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.363030 (E_RNA) where: Base-Base interactions energy: -53.487 where: short stacking energy: -53.241 Base-Backbone interact. energy: -0.698 local terms energy: -67.178197 where: bonds (distance) C4'-P energy: -16.837 bonds (distance) P-C4' energy: -17.491 flat angles C4'-P-C4' energy: -16.341 flat angles P-C4'-P energy: -10.462 tors. eta vs tors. theta energy: -6.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -111.456937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.456937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.456937 (E_RNA) where: Base-Base interactions energy: -54.941 where: short stacking energy: -54.941 Base-Backbone interact. energy: -0.268 local terms energy: -56.247803 where: bonds (distance) C4'-P energy: -16.100 bonds (distance) P-C4' energy: -11.055 flat angles C4'-P-C4' energy: -18.339 flat angles P-C4'-P energy: -4.997 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: 8 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -208.376110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.376110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.376110 (E_RNA) where: Base-Base interactions energy: -110.874 where: short stacking energy: -110.874 Base-Backbone interact. energy: -0.002 local terms energy: -97.499217 where: bonds (distance) C4'-P energy: -18.787 bonds (distance) P-C4' energy: -19.372 flat angles C4'-P-C4' energy: -17.998 flat angles P-C4'-P energy: -14.706 tors. eta vs tors. theta energy: -26.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -214.881966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.881966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.881966 (E_RNA) where: Base-Base interactions energy: -118.285 where: short stacking energy: -118.285 Base-Backbone interact. energy: -0.000 local terms energy: -96.596760 where: bonds (distance) C4'-P energy: -16.573 bonds (distance) P-C4' energy: -17.252 flat angles C4'-P-C4' energy: -20.657 flat angles P-C4'-P energy: -15.351 tors. eta vs tors. theta energy: -26.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -207.697481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.697481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.697481 (E_RNA) where: Base-Base interactions energy: -114.249 where: short stacking energy: -114.249 Base-Backbone interact. energy: -0.000 local terms energy: -93.448496 where: bonds (distance) C4'-P energy: -15.054 bonds (distance) P-C4' energy: -19.856 flat angles C4'-P-C4' energy: -18.500 flat angles P-C4'-P energy: -12.939 tors. eta vs tors. theta energy: -27.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -167.167882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.167882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.167882 (E_RNA) where: Base-Base interactions energy: -83.009 where: short stacking energy: -83.009 Base-Backbone interact. energy: -0.002 local terms energy: -84.157007 where: bonds (distance) C4'-P energy: -19.053 bonds (distance) P-C4' energy: -17.281 flat angles C4'-P-C4' energy: -20.359 flat angles P-C4'-P energy: -9.842 tors. eta vs tors. theta energy: -17.622 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: 3 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -154.937005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.937005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.937005 (E_RNA) where: Base-Base interactions energy: -81.313 where: short stacking energy: -81.313 Base-Backbone interact. energy: -0.109 local terms energy: -73.514633 where: bonds (distance) C4'-P energy: -15.392 bonds (distance) P-C4' energy: -17.169 flat angles C4'-P-C4' energy: -14.078 flat angles P-C4'-P energy: -12.657 tors. eta vs tors. theta energy: -14.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -156.414844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.414844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.414844 (E_RNA) where: Base-Base interactions energy: -75.787 where: short stacking energy: -75.787 Base-Backbone interact. energy: -0.087 local terms energy: -80.541377 where: bonds (distance) C4'-P energy: -17.324 bonds (distance) P-C4' energy: -21.073 flat angles C4'-P-C4' energy: -18.173 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: -16.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -119.786062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.786062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.786062 (E_RNA) where: Base-Base interactions energy: -56.698 where: short stacking energy: -56.698 Base-Backbone interact. energy: -0.732 local terms energy: -62.356226 where: bonds (distance) C4'-P energy: -17.165 bonds (distance) P-C4' energy: -15.146 flat angles C4'-P-C4' energy: -19.513 flat angles P-C4'-P energy: -3.548 tors. eta vs tors. theta energy: -6.984 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: 7 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -139.146485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.146485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.146485 (E_RNA) where: Base-Base interactions energy: -65.980 where: short stacking energy: -65.980 Base-Backbone interact. energy: -0.707 local terms energy: -72.459558 where: bonds (distance) C4'-P energy: -15.007 bonds (distance) P-C4' energy: -18.160 flat angles C4'-P-C4' energy: -10.000 flat angles P-C4'-P energy: -13.971 tors. eta vs tors. theta energy: -15.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -118.256744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.256744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.256744 (E_RNA) where: Base-Base interactions energy: -57.898 where: short stacking energy: -57.812 Base-Backbone interact. energy: -0.155 local terms energy: -60.203764 where: bonds (distance) C4'-P energy: -11.280 bonds (distance) P-C4' energy: -18.305 flat angles C4'-P-C4' energy: -15.849 flat angles P-C4'-P energy: -6.112 tors. eta vs tors. theta energy: -8.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -119.632471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.632471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.632471 (E_RNA) where: Base-Base interactions energy: -50.836 where: short stacking energy: -50.836 Base-Backbone interact. energy: 0.047 local terms energy: -68.843770 where: bonds (distance) C4'-P energy: -18.033 bonds (distance) P-C4' energy: -16.946 flat angles C4'-P-C4' energy: -15.414 flat angles P-C4'-P energy: -9.034 tors. eta vs tors. theta energy: -9.418 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: 291 Temperature: 0.900000 Total energy: -218.591649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.591649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.591649 (E_RNA) where: Base-Base interactions energy: -116.980 where: short stacking energy: -116.980 Base-Backbone interact. energy: -0.006 local terms energy: -101.605781 where: bonds (distance) C4'-P energy: -21.304 bonds (distance) P-C4' energy: -16.326 flat angles C4'-P-C4' energy: -20.793 flat angles P-C4'-P energy: -13.830 tors. eta vs tors. theta energy: -29.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -213.487517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.487517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.487517 (E_RNA) where: Base-Base interactions energy: -118.704 where: short stacking energy: -118.704 Base-Backbone interact. energy: -0.002 local terms energy: -94.781298 where: bonds (distance) C4'-P energy: -19.279 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -19.882 flat angles P-C4'-P energy: -12.027 tors. eta vs tors. theta energy: -27.751 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: 9 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -201.806107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.806107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.806107 (E_RNA) where: Base-Base interactions energy: -107.075 where: short stacking energy: -107.075 Base-Backbone interact. energy: -0.000 local terms energy: -94.731129 where: bonds (distance) C4'-P energy: -18.050 bonds (distance) P-C4' energy: -15.881 flat angles C4'-P-C4' energy: -22.284 flat angles P-C4'-P energy: -9.587 tors. eta vs tors. theta energy: -28.929 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: 4, replica: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -180.492076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.492076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.492076 (E_RNA) where: Base-Base interactions energy: -90.121 where: short stacking energy: -90.121 Base-Backbone interact. energy: -0.001 local terms energy: -90.370307 where: bonds (distance) C4'-P energy: -20.119 bonds (distance) P-C4' energy: -17.717 flat angles C4'-P-C4' energy: -20.901 flat angles P-C4'-P energy: -10.366 tors. eta vs tors. theta energy: -21.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -154.857994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.857994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.857994 (E_RNA) where: Base-Base interactions energy: -82.250 where: short stacking energy: -81.759 Base-Backbone interact. energy: -0.361 local terms energy: -72.246614 where: bonds (distance) C4'-P energy: -14.524 bonds (distance) P-C4' energy: -17.772 flat angles C4'-P-C4' energy: -17.396 flat angles P-C4'-P energy: -8.913 tors. eta vs tors. theta energy: -13.641 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: 6, replica: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -161.062107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.062107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.062107 (E_RNA) where: Base-Base interactions energy: -83.190 where: short stacking energy: -83.190 Base-Backbone interact. energy: -0.005 local terms energy: -77.866739 where: bonds (distance) C4'-P energy: -19.259 bonds (distance) P-C4' energy: -11.213 flat angles C4'-P-C4' energy: -18.226 flat angles P-C4'-P energy: -11.493 tors. eta vs tors. theta energy: -17.675 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: 10 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -148.005351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.005351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.005351 (E_RNA) where: Base-Base interactions energy: -71.324 where: short stacking energy: -70.083 Base-Backbone interact. energy: -0.057 local terms energy: -76.624266 where: bonds (distance) C4'-P energy: -12.493 bonds (distance) P-C4' energy: -18.973 flat angles C4'-P-C4' energy: -20.675 flat angles P-C4'-P energy: -8.456 tors. eta vs tors. theta energy: -16.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -122.596054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.596054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.596054 (E_RNA) where: Base-Base interactions energy: -56.349 where: short stacking energy: -56.749 Base-Backbone interact. energy: -0.151 local terms energy: -66.095986 where: bonds (distance) C4'-P energy: -13.810 bonds (distance) P-C4' energy: -14.444 flat angles C4'-P-C4' energy: -16.977 flat angles P-C4'-P energy: -8.994 tors. eta vs tors. theta energy: -11.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -123.593231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.593231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.593231 (E_RNA) where: Base-Base interactions energy: -57.444 where: short stacking energy: -57.444 Base-Backbone interact. energy: -0.736 local terms energy: -65.413115 where: bonds (distance) C4'-P energy: -14.213 bonds (distance) P-C4' energy: -20.252 flat angles C4'-P-C4' energy: -18.829 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -125.979608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.979608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.979608 (E_RNA) where: Base-Base interactions energy: -65.271 where: short stacking energy: -63.200 Base-Backbone interact. energy: -0.266 local terms energy: -60.443106 where: bonds (distance) C4'-P energy: -11.301 bonds (distance) P-C4' energy: -17.491 flat angles C4'-P-C4' energy: -16.363 flat angles P-C4'-P energy: -6.867 tors. eta vs tors. theta energy: -8.421 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: 8 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -232.121952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.121952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.121952 (E_RNA) where: Base-Base interactions energy: -128.787 where: short stacking energy: -128.787 Base-Backbone interact. energy: -0.000 local terms energy: -103.334669 where: bonds (distance) C4'-P energy: -16.360 bonds (distance) P-C4' energy: -21.482 flat angles C4'-P-C4' energy: -22.197 flat angles P-C4'-P energy: -10.857 tors. eta vs tors. theta energy: -32.439 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: 2, replica: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -232.382280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.382280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.382280 (E_RNA) where: Base-Base interactions energy: -124.799 where: short stacking energy: -123.086 Base-Backbone interact. energy: -0.000 local terms energy: -107.583305 where: bonds (distance) C4'-P energy: -19.768 bonds (distance) P-C4' energy: -22.216 flat angles C4'-P-C4' energy: -21.591 flat angles P-C4'-P energy: -14.550 tors. eta vs tors. theta energy: -29.459 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: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -183.580307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.580307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.580307 (E_RNA) where: Base-Base interactions energy: -97.619 where: short stacking energy: -97.619 Base-Backbone interact. energy: -0.001 local terms energy: -85.960110 where: bonds (distance) C4'-P energy: -17.958 bonds (distance) P-C4' energy: -19.244 flat angles C4'-P-C4' energy: -19.127 flat angles P-C4'-P energy: -8.506 tors. eta vs tors. theta energy: -21.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -192.836519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.836519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.836519 (E_RNA) where: Base-Base interactions energy: -109.454 where: short stacking energy: -108.144 Base-Backbone interact. energy: -0.002 local terms energy: -83.381031 where: bonds (distance) C4'-P energy: -13.228 bonds (distance) P-C4' energy: -16.195 flat angles C4'-P-C4' energy: -16.125 flat angles P-C4'-P energy: -13.928 tors. eta vs tors. theta energy: -23.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -152.263171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.263171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.263171 (E_RNA) where: Base-Base interactions energy: -81.632 where: short stacking energy: -81.632 Base-Backbone interact. energy: -0.293 local terms energy: -70.338625 where: bonds (distance) C4'-P energy: -14.869 bonds (distance) P-C4' energy: -17.191 flat angles C4'-P-C4' energy: -18.077 flat angles P-C4'-P energy: -5.655 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: 6, replica: 3 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -144.657880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.657880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.657880 (E_RNA) where: Base-Base interactions energy: -72.899 where: short stacking energy: -72.899 Base-Backbone interact. energy: 0.929 local terms energy: -72.687865 where: bonds (distance) C4'-P energy: -10.850 bonds (distance) P-C4' energy: -16.946 flat angles C4'-P-C4' energy: -19.681 flat angles P-C4'-P energy: -12.788 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: 7, replica: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -151.863092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.863092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.863092 (E_RNA) where: Base-Base interactions energy: -80.353 where: short stacking energy: -80.353 Base-Backbone interact. energy: -0.076 local terms energy: -71.433642 where: bonds (distance) C4'-P energy: -14.432 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -13.648 flat angles P-C4'-P energy: -13.454 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: 8, replica: 10 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -147.584098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.584098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.584098 (E_RNA) where: Base-Base interactions energy: -77.530 where: short stacking energy: -74.002 Base-Backbone interact. energy: 0.249 local terms energy: -70.302416 where: bonds (distance) C4'-P energy: -12.977 bonds (distance) P-C4' energy: -14.153 flat angles C4'-P-C4' energy: -17.178 flat angles P-C4'-P energy: -12.548 tors. eta vs tors. theta energy: -13.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -121.840866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.840866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.840866 (E_RNA) where: Base-Base interactions energy: -57.877 where: short stacking energy: -56.720 Base-Backbone interact. energy: -0.626 local terms energy: -63.337920 where: bonds (distance) C4'-P energy: -11.287 bonds (distance) P-C4' energy: -19.905 flat angles C4'-P-C4' energy: -11.255 flat angles P-C4'-P energy: -7.239 tors. eta vs tors. theta energy: -13.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -118.108664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.108664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.108664 (E_RNA) where: Base-Base interactions energy: -51.950 where: short stacking energy: -51.595 Base-Backbone interact. energy: -0.081 local terms energy: -66.078309 where: bonds (distance) C4'-P energy: -17.202 bonds (distance) P-C4' energy: -21.081 flat angles C4'-P-C4' energy: -14.981 flat angles P-C4'-P energy: -2.881 tors. eta vs tors. theta energy: -9.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -234.076628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.076628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.076628 (E_RNA) where: Base-Base interactions energy: -126.006 where: short stacking energy: -126.006 Base-Backbone interact. energy: -0.000 local terms energy: -108.070388 where: bonds (distance) C4'-P energy: -18.248 bonds (distance) P-C4' energy: -18.996 flat angles C4'-P-C4' energy: -22.413 flat angles P-C4'-P energy: -15.495 tors. eta vs tors. theta energy: -32.917 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: 5 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -203.256829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.256829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.256829 (E_RNA) where: Base-Base interactions energy: -112.017 where: short stacking energy: -112.017 Base-Backbone interact. energy: -0.003 local terms energy: -91.237740 where: bonds (distance) C4'-P energy: -18.082 bonds (distance) P-C4' energy: -19.385 flat angles C4'-P-C4' energy: -16.475 flat angles P-C4'-P energy: -11.589 tors. eta vs tors. theta energy: -25.706 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: 2 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -191.831248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.831248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.831248 (E_RNA) where: Base-Base interactions energy: -102.114 where: short stacking energy: -102.114 Base-Backbone interact. energy: -0.000 local terms energy: -89.717367 where: bonds (distance) C4'-P energy: -16.427 bonds (distance) P-C4' energy: -19.685 flat angles C4'-P-C4' energy: -18.188 flat angles P-C4'-P energy: -13.058 tors. eta vs tors. theta energy: -22.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -159.611962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.611962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.611962 (E_RNA) where: Base-Base interactions energy: -79.017 where: short stacking energy: -79.017 Base-Backbone interact. energy: -0.020 local terms energy: -80.574910 where: bonds (distance) C4'-P energy: -17.520 bonds (distance) P-C4' energy: -20.169 flat angles C4'-P-C4' energy: -18.606 flat angles P-C4'-P energy: -11.370 tors. eta vs tors. theta energy: -12.910 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: 5, replica: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -173.469748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.469748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.469748 (E_RNA) where: Base-Base interactions energy: -91.433 where: short stacking energy: -92.133 Base-Backbone interact. energy: -1.762 local terms energy: -80.274810 where: bonds (distance) C4'-P energy: -16.593 bonds (distance) P-C4' energy: -19.270 flat angles C4'-P-C4' energy: -13.810 flat angles P-C4'-P energy: -12.929 tors. eta vs tors. theta energy: -17.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -141.736006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.736006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.736006 (E_RNA) where: Base-Base interactions energy: -72.457 where: short stacking energy: -72.457 Base-Backbone interact. energy: -0.022 local terms energy: -69.256498 where: bonds (distance) C4'-P energy: -14.224 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -16.234 flat angles P-C4'-P energy: -14.733 tors. eta vs tors. theta energy: -9.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -134.395892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.395892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.395892 (E_RNA) where: Base-Base interactions energy: -69.496 where: short stacking energy: -69.496 Base-Backbone interact. energy: -0.084 local terms energy: -64.816048 where: bonds (distance) C4'-P energy: -14.266 bonds (distance) P-C4' energy: -14.884 flat angles C4'-P-C4' energy: -17.918 flat angles P-C4'-P energy: -10.273 tors. eta vs tors. theta energy: -7.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -148.858354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.858354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.858354 (E_RNA) where: Base-Base interactions energy: -70.569 where: short stacking energy: -71.169 Base-Backbone interact. energy: -0.259 local terms energy: -78.030243 where: bonds (distance) C4'-P energy: -13.940 bonds (distance) P-C4' energy: -19.189 flat angles C4'-P-C4' energy: -14.784 flat angles P-C4'-P energy: -12.764 tors. eta vs tors. theta energy: -17.353 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: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -126.608187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.608187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.608187 (E_RNA) where: Base-Base interactions energy: -60.470 where: short stacking energy: -60.753 Base-Backbone interact. energy: -0.312 local terms energy: -65.825755 where: bonds (distance) C4'-P energy: -15.486 bonds (distance) P-C4' energy: -19.678 flat angles C4'-P-C4' energy: -16.419 flat angles P-C4'-P energy: -5.424 tors. eta vs tors. theta energy: -8.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -106.868843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.868843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.868843 (E_RNA) where: Base-Base interactions energy: -47.555 where: short stacking energy: -47.761 Base-Backbone interact. energy: -0.130 local terms energy: -59.183531 where: bonds (distance) C4'-P energy: -7.576 bonds (distance) P-C4' energy: -18.766 flat angles C4'-P-C4' energy: -17.125 flat angles P-C4'-P energy: -12.642 tors. eta vs tors. theta energy: -3.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -217.553576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.553576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.553576 (E_RNA) where: Base-Base interactions energy: -118.665 where: short stacking energy: -118.665 Base-Backbone interact. energy: -0.000 local terms energy: -98.888647 where: bonds (distance) C4'-P energy: -13.324 bonds (distance) P-C4' energy: -19.405 flat angles C4'-P-C4' energy: -22.407 flat angles P-C4'-P energy: -15.792 tors. eta vs tors. theta energy: -27.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -214.397953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.397953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.397953 (E_RNA) where: Base-Base interactions energy: -119.723 where: short stacking energy: -119.723 Base-Backbone interact. energy: -0.000 local terms energy: -94.674707 where: bonds (distance) C4'-P energy: -16.256 bonds (distance) P-C4' energy: -17.955 flat angles C4'-P-C4' energy: -21.682 flat angles P-C4'-P energy: -10.169 tors. eta vs tors. theta energy: -28.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -218.689568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.689568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.689568 (E_RNA) where: Base-Base interactions energy: -117.664 where: short stacking energy: -117.664 Base-Backbone interact. energy: -0.002 local terms energy: -101.023242 where: bonds (distance) C4'-P energy: -18.281 bonds (distance) P-C4' energy: -20.486 flat angles C4'-P-C4' energy: -20.360 flat angles P-C4'-P energy: -13.530 tors. eta vs tors. theta energy: -28.366 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: 294 Temperature: 1.050000 Total energy: -170.346205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.346205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.346205 (E_RNA) where: Base-Base interactions energy: -88.790 where: short stacking energy: -88.790 Base-Backbone interact. energy: 2.757 local terms energy: -84.312864 where: bonds (distance) C4'-P energy: -16.305 bonds (distance) P-C4' energy: -19.538 flat angles C4'-P-C4' energy: -19.692 flat angles P-C4'-P energy: -8.916 tors. eta vs tors. theta energy: -19.862 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: 5, replica: 3 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -150.381772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.381772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.381772 (E_RNA) where: Base-Base interactions energy: -77.507 where: short stacking energy: -77.507 Base-Backbone interact. energy: -0.131 local terms energy: -72.743302 where: bonds (distance) C4'-P energy: -18.567 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -17.872 flat angles P-C4'-P energy: -10.017 tors. eta vs tors. theta energy: -13.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -164.761606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.761606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.761606 (E_RNA) where: Base-Base interactions energy: -80.841 where: short stacking energy: -80.841 Base-Backbone interact. energy: -0.493 local terms energy: -83.427328 where: bonds (distance) C4'-P energy: -11.947 bonds (distance) P-C4' energy: -20.806 flat angles C4'-P-C4' energy: -20.998 flat angles P-C4'-P energy: -13.624 tors. eta vs tors. theta energy: -16.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -145.765356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.765356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.765356 (E_RNA) where: Base-Base interactions energy: -73.276 where: short stacking energy: -73.276 Base-Backbone interact. energy: -0.005 local terms energy: -72.485306 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -13.813 flat angles C4'-P-C4' energy: -17.984 flat angles P-C4'-P energy: -11.629 tors. eta vs tors. theta energy: -15.613 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: 4 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -123.683764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.683764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.683764 (E_RNA) where: Base-Base interactions energy: -63.493 where: short stacking energy: -63.414 Base-Backbone interact. energy: -0.039 local terms energy: -60.151272 where: bonds (distance) C4'-P energy: -12.901 bonds (distance) P-C4' energy: -17.650 flat angles C4'-P-C4' energy: -10.973 flat angles P-C4'-P energy: -7.297 tors. eta vs tors. theta energy: -11.330 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: 7 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -120.985603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.985603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.985603 (E_RNA) where: Base-Base interactions energy: -62.411 where: short stacking energy: -62.411 Base-Backbone interact. energy: -0.248 local terms energy: -58.325982 where: bonds (distance) C4'-P energy: -13.740 bonds (distance) P-C4' energy: -18.504 flat angles C4'-P-C4' energy: -10.864 flat angles P-C4'-P energy: -9.979 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: 294 Temperature: 1.350000 Total energy: -119.489245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.489245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.489245 (E_RNA) where: Base-Base interactions energy: -52.440 where: short stacking energy: -52.440 Base-Backbone interact. energy: -0.051 local terms energy: -66.998467 where: bonds (distance) C4'-P energy: -17.219 bonds (distance) P-C4' energy: -18.531 flat angles C4'-P-C4' energy: -12.863 flat angles P-C4'-P energy: -10.283 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: 8 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -225.020072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.020072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.020072 (E_RNA) where: Base-Base interactions energy: -126.573 where: short stacking energy: -126.573 Base-Backbone interact. energy: -0.000 local terms energy: -98.446860 where: bonds (distance) C4'-P energy: -18.588 bonds (distance) P-C4' energy: -18.853 flat angles C4'-P-C4' energy: -19.292 flat angles P-C4'-P energy: -11.807 tors. eta vs tors. theta energy: -29.907 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: 2 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -197.945099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.945099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.945099 (E_RNA) where: Base-Base interactions energy: -108.437 where: short stacking energy: -108.437 Base-Backbone interact. energy: -0.000 local terms energy: -89.508380 where: bonds (distance) C4'-P energy: -15.031 bonds (distance) P-C4' energy: -19.264 flat angles C4'-P-C4' energy: -20.905 flat angles P-C4'-P energy: -13.307 tors. eta vs tors. theta energy: -21.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -201.144396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.144396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.144396 (E_RNA) where: Base-Base interactions energy: -108.251 where: short stacking energy: -108.251 Base-Backbone interact. energy: -0.005 local terms energy: -92.888724 where: bonds (distance) C4'-P energy: -16.029 bonds (distance) P-C4' energy: -14.748 flat angles C4'-P-C4' energy: -19.693 flat angles P-C4'-P energy: -14.355 tors. eta vs tors. theta energy: -28.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -164.176724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.176724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.176724 (E_RNA) where: Base-Base interactions energy: -82.148 where: short stacking energy: -82.148 Base-Backbone interact. energy: 0.696 local terms energy: -82.724496 where: bonds (distance) C4'-P energy: -17.028 bonds (distance) P-C4' energy: -21.700 flat angles C4'-P-C4' energy: -16.507 flat angles P-C4'-P energy: -11.024 tors. eta vs tors. theta energy: -16.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -163.763407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.763407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.763407 (E_RNA) where: Base-Base interactions energy: -81.765 where: short stacking energy: -81.765 Base-Backbone interact. energy: -0.489 local terms energy: -81.508747 where: bonds (distance) C4'-P energy: -15.007 bonds (distance) P-C4' energy: -18.615 flat angles C4'-P-C4' energy: -18.757 flat angles P-C4'-P energy: -8.686 tors. eta vs tors. theta energy: -20.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -148.127808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.127808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.127808 (E_RNA) where: Base-Base interactions energy: -72.747 where: short stacking energy: -72.747 Base-Backbone interact. energy: 0.308 local terms energy: -75.689165 where: bonds (distance) C4'-P energy: -18.865 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -16.733 flat angles P-C4'-P energy: -14.019 tors. eta vs tors. theta energy: -12.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -145.169836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.169836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.169836 (E_RNA) where: Base-Base interactions energy: -75.544 where: short stacking energy: -75.544 Base-Backbone interact. energy: -0.070 local terms energy: -69.555495 where: bonds (distance) C4'-P energy: -12.097 bonds (distance) P-C4' energy: -17.208 flat angles C4'-P-C4' energy: -17.013 flat angles P-C4'-P energy: -12.721 tors. eta vs tors. theta energy: -10.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -138.294950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.294950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.294950 (E_RNA) where: Base-Base interactions energy: -67.798 where: short stacking energy: -67.798 Base-Backbone interact. energy: -0.389 local terms energy: -70.108755 where: bonds (distance) C4'-P energy: -14.079 bonds (distance) P-C4' energy: -16.983 flat angles C4'-P-C4' energy: -17.964 flat angles P-C4'-P energy: -8.705 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: 9, replica: 4 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -133.530815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.530815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.530815 (E_RNA) where: Base-Base interactions energy: -66.174 where: short stacking energy: -66.069 Base-Backbone interact. energy: -0.884 local terms energy: -66.472406 where: bonds (distance) C4'-P energy: -15.290 bonds (distance) P-C4' energy: -15.598 flat angles C4'-P-C4' energy: -16.630 flat angles P-C4'-P energy: -7.786 tors. eta vs tors. theta energy: -11.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -107.287508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.287508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.287508 (E_RNA) where: Base-Base interactions energy: -47.033 where: short stacking energy: -47.033 Base-Backbone interact. energy: -0.424 local terms energy: -59.829895 where: bonds (distance) C4'-P energy: -16.502 bonds (distance) P-C4' energy: -21.819 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -6.624 tors. eta vs tors. theta energy: -1.964 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: 2 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -208.934626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.934626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.934626 (E_RNA) where: Base-Base interactions energy: -111.806 where: short stacking energy: -111.806 Base-Backbone interact. energy: -0.020 local terms energy: -97.108473 where: bonds (distance) C4'-P energy: -19.842 bonds (distance) P-C4' energy: -16.772 flat angles C4'-P-C4' energy: -20.172 flat angles P-C4'-P energy: -14.602 tors. eta vs tors. theta energy: -25.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -216.255255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.255255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.255255 (E_RNA) where: Base-Base interactions energy: -115.694 where: short stacking energy: -115.694 Base-Backbone interact. energy: -0.002 local terms energy: -100.559218 where: bonds (distance) C4'-P energy: -20.703 bonds (distance) P-C4' energy: -17.294 flat angles C4'-P-C4' energy: -19.213 flat angles P-C4'-P energy: -13.372 tors. eta vs tors. theta energy: -29.978 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: 5 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -199.981423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.981423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.981423 (E_RNA) where: Base-Base interactions energy: -103.807 where: short stacking energy: -103.807 Base-Backbone interact. energy: -0.095 local terms energy: -96.079515 where: bonds (distance) C4'-P energy: -16.600 bonds (distance) P-C4' energy: -19.449 flat angles C4'-P-C4' energy: -20.666 flat angles P-C4'-P energy: -13.700 tors. eta vs tors. theta energy: -25.665 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: 3 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -167.738108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.738108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.738108 (E_RNA) where: Base-Base interactions energy: -79.924 where: short stacking energy: -79.924 Base-Backbone interact. energy: -0.003 local terms energy: -87.810683 where: bonds (distance) C4'-P energy: -20.210 bonds (distance) P-C4' energy: -21.087 flat angles C4'-P-C4' energy: -17.252 flat angles P-C4'-P energy: -12.985 tors. eta vs tors. theta energy: -16.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -182.911065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.911065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.911065 (E_RNA) where: Base-Base interactions energy: -91.424 where: short stacking energy: -91.424 Base-Backbone interact. energy: -0.332 local terms energy: -91.154919 where: bonds (distance) C4'-P energy: -19.254 bonds (distance) P-C4' energy: -18.281 flat angles C4'-P-C4' energy: -20.977 flat angles P-C4'-P energy: -14.339 tors. eta vs tors. theta energy: -18.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -151.155713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.155713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.155713 (E_RNA) where: Base-Base interactions energy: -75.942 where: short stacking energy: -75.942 Base-Backbone interact. energy: -1.091 local terms energy: -74.122302 where: bonds (distance) C4'-P energy: -10.180 bonds (distance) P-C4' energy: -18.258 flat angles C4'-P-C4' energy: -19.572 flat angles P-C4'-P energy: -10.478 tors. eta vs tors. theta energy: -15.634 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: 7 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -133.367389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.367389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.367389 (E_RNA) where: Base-Base interactions energy: -66.218 where: short stacking energy: -66.218 Base-Backbone interact. energy: -0.053 local terms energy: -67.097158 where: bonds (distance) C4'-P energy: -11.902 bonds (distance) P-C4' energy: -17.173 flat angles C4'-P-C4' energy: -13.133 flat angles P-C4'-P energy: -15.875 tors. eta vs tors. theta energy: -9.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -128.354756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.354756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.354756 (E_RNA) where: Base-Base interactions energy: -71.793 where: short stacking energy: -71.793 Base-Backbone interact. energy: -0.004 local terms energy: -56.557480 where: bonds (distance) C4'-P energy: -7.401 bonds (distance) P-C4' energy: -15.974 flat angles C4'-P-C4' energy: -16.660 flat angles P-C4'-P energy: -7.874 tors. eta vs tors. theta energy: -8.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -121.566263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.566263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.566263 (E_RNA) where: Base-Base interactions energy: -50.367 where: short stacking energy: -49.517 Base-Backbone interact. energy: -0.727 local terms energy: -70.471523 where: bonds (distance) C4'-P energy: -15.838 bonds (distance) P-C4' energy: -14.627 flat angles C4'-P-C4' energy: -19.951 flat angles P-C4'-P energy: -11.489 tors. eta vs tors. theta energy: -8.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -102.935602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.935602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.935602 (E_RNA) where: Base-Base interactions energy: -43.041 where: short stacking energy: -43.022 Base-Backbone interact. energy: -0.104 local terms energy: -59.790553 where: bonds (distance) C4'-P energy: -12.668 bonds (distance) P-C4' energy: -20.175 flat angles C4'-P-C4' energy: -16.561 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -5.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -193.971877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.971877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.971877 (E_RNA) where: Base-Base interactions energy: -100.486 where: short stacking energy: -100.486 Base-Backbone interact. energy: -0.098 local terms energy: -93.387851 where: bonds (distance) C4'-P energy: -17.953 bonds (distance) P-C4' energy: -19.796 flat angles C4'-P-C4' energy: -19.326 flat angles P-C4'-P energy: -15.191 tors. eta vs tors. theta energy: -21.122 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: 2, replica: 8 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -219.190735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.190735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.190735 (E_RNA) where: Base-Base interactions energy: -119.342 where: short stacking energy: -119.342 Base-Backbone interact. energy: -0.000 local terms energy: -99.848502 where: bonds (distance) C4'-P energy: -16.293 bonds (distance) P-C4' energy: -18.566 flat angles C4'-P-C4' energy: -23.367 flat angles P-C4'-P energy: -14.078 tors. eta vs tors. theta energy: -27.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -205.372949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.372949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.372949 (E_RNA) where: Base-Base interactions energy: -112.703 where: short stacking energy: -112.703 Base-Backbone interact. energy: -0.000 local terms energy: -92.670094 where: bonds (distance) C4'-P energy: -14.200 bonds (distance) P-C4' energy: -18.053 flat angles C4'-P-C4' energy: -16.880 flat angles P-C4'-P energy: -14.526 tors. eta vs tors. theta energy: -29.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -170.386434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.386434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.386434 (E_RNA) where: Base-Base interactions energy: -87.210 where: short stacking energy: -87.210 Base-Backbone interact. energy: -0.168 local terms energy: -83.008793 where: bonds (distance) C4'-P energy: -16.469 bonds (distance) P-C4' energy: -18.773 flat angles C4'-P-C4' energy: -17.870 flat angles P-C4'-P energy: -14.606 tors. eta vs tors. theta energy: -15.291 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: 3 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -164.116633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.116633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.116633 (E_RNA) where: Base-Base interactions energy: -84.666 where: short stacking energy: -84.666 Base-Backbone interact. energy: -0.064 local terms energy: -79.387074 where: bonds (distance) C4'-P energy: -16.968 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -19.678 flat angles P-C4'-P energy: -11.705 tors. eta vs tors. theta energy: -14.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -159.317988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.317988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.317988 (E_RNA) where: Base-Base interactions energy: -74.658 where: short stacking energy: -74.658 Base-Backbone interact. energy: -0.125 local terms energy: -84.534746 where: bonds (distance) C4'-P energy: -17.150 bonds (distance) P-C4' energy: -21.253 flat angles C4'-P-C4' energy: -21.288 flat angles P-C4'-P energy: -9.451 tors. eta vs tors. theta energy: -15.393 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: 7 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -147.340793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.340793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.340793 (E_RNA) where: Base-Base interactions energy: -74.454 where: short stacking energy: -74.454 Base-Backbone interact. energy: 0.536 local terms energy: -73.423190 where: bonds (distance) C4'-P energy: -14.997 bonds (distance) P-C4' energy: -18.840 flat angles C4'-P-C4' energy: -15.459 flat angles P-C4'-P energy: -10.636 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: 8, replica: 4 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -144.923155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.923155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.923155 (E_RNA) where: Base-Base interactions energy: -74.941 where: short stacking energy: -71.494 Base-Backbone interact. energy: 0.095 local terms energy: -70.077646 where: bonds (distance) C4'-P energy: -14.825 bonds (distance) P-C4' energy: -19.852 flat angles C4'-P-C4' energy: -13.920 flat angles P-C4'-P energy: -10.689 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: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -145.883778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.883778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.883778 (E_RNA) where: Base-Base interactions energy: -67.866 where: short stacking energy: -67.866 Base-Backbone interact. energy: -0.015 local terms energy: -78.003299 where: bonds (distance) C4'-P energy: -12.553 bonds (distance) P-C4' energy: -16.903 flat angles C4'-P-C4' energy: -19.757 flat angles P-C4'-P energy: -14.426 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: 10, replica: 10 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -108.829551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.829551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.829551 (E_RNA) where: Base-Base interactions energy: -47.460 where: short stacking energy: -46.990 Base-Backbone interact. energy: -0.117 local terms energy: -61.252519 where: bonds (distance) C4'-P energy: -16.349 bonds (distance) P-C4' energy: -19.707 flat angles C4'-P-C4' energy: -10.547 flat angles P-C4'-P energy: -9.847 tors. eta vs tors. theta energy: -4.802 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: 2 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -206.915116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.915116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.915116 (E_RNA) where: Base-Base interactions energy: -104.852 where: short stacking energy: -104.852 Base-Backbone interact. energy: -0.027 local terms energy: -102.035943 where: bonds (distance) C4'-P energy: -21.176 bonds (distance) P-C4' energy: -19.517 flat angles C4'-P-C4' energy: -21.553 flat angles P-C4'-P energy: -14.275 tors. eta vs tors. theta energy: -25.516 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: 8 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -208.219232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.219232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.219232 (E_RNA) where: Base-Base interactions energy: -115.981 where: short stacking energy: -115.981 Base-Backbone interact. energy: -0.093 local terms energy: -92.145073 where: bonds (distance) C4'-P energy: -12.779 bonds (distance) P-C4' energy: -20.410 flat angles C4'-P-C4' energy: -20.220 flat angles P-C4'-P energy: -11.499 tors. eta vs tors. theta energy: -27.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -202.348170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.348170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.348170 (E_RNA) where: Base-Base interactions energy: -103.246 where: short stacking energy: -103.246 Base-Backbone interact. energy: -0.093 local terms energy: -99.009876 where: bonds (distance) C4'-P energy: -17.715 bonds (distance) P-C4' energy: -21.276 flat angles C4'-P-C4' energy: -19.279 flat angles P-C4'-P energy: -14.565 tors. eta vs tors. theta energy: -26.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -168.999352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.999352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.999352 (E_RNA) where: Base-Base interactions energy: -86.339 where: short stacking energy: -86.875 Base-Backbone interact. energy: -0.422 local terms energy: -82.238685 where: bonds (distance) C4'-P energy: -18.424 bonds (distance) P-C4' energy: -18.522 flat angles C4'-P-C4' energy: -21.632 flat angles P-C4'-P energy: -9.475 tors. eta vs tors. theta energy: -14.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -173.507584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.507584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.507584 (E_RNA) where: Base-Base interactions energy: -87.303 where: short stacking energy: -86.145 Base-Backbone interact. energy: -0.477 local terms energy: -85.727868 where: bonds (distance) C4'-P energy: -19.184 bonds (distance) P-C4' energy: -17.827 flat angles C4'-P-C4' energy: -17.768 flat angles P-C4'-P energy: -12.444 tors. eta vs tors. theta energy: -18.504 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: 6, replica: 3 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -145.511394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.511394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.511394 (E_RNA) where: Base-Base interactions energy: -70.512 where: short stacking energy: -70.512 Base-Backbone interact. energy: -0.184 local terms energy: -74.816119 where: bonds (distance) C4'-P energy: -17.565 bonds (distance) P-C4' energy: -18.846 flat angles C4'-P-C4' energy: -12.815 flat angles P-C4'-P energy: -10.254 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: 7, replica: 7 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -131.547570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.547570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.547570 (E_RNA) where: Base-Base interactions energy: -55.569 where: short stacking energy: -55.569 Base-Backbone interact. energy: -0.102 local terms energy: -75.875947 where: bonds (distance) C4'-P energy: -19.209 bonds (distance) P-C4' energy: -20.814 flat angles C4'-P-C4' energy: -15.411 flat angles P-C4'-P energy: -13.740 tors. eta vs tors. theta energy: -6.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -130.705223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.705223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.705223 (E_RNA) where: Base-Base interactions energy: -58.792 where: short stacking energy: -58.792 Base-Backbone interact. energy: -0.633 local terms energy: -71.280114 where: bonds (distance) C4'-P energy: -16.266 bonds (distance) P-C4' energy: -17.513 flat angles C4'-P-C4' energy: -16.685 flat angles P-C4'-P energy: -13.701 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: 9, replica: 10 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -130.981461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.981461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.981461 (E_RNA) where: Base-Base interactions energy: -54.363 where: short stacking energy: -54.363 Base-Backbone interact. energy: -0.175 local terms energy: -76.443523 where: bonds (distance) C4'-P energy: -19.295 bonds (distance) P-C4' energy: -19.618 flat angles C4'-P-C4' energy: -14.504 flat angles P-C4'-P energy: -12.663 tors. eta vs tors. theta energy: -10.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -108.194019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.194019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.194019 (E_RNA) where: Base-Base interactions energy: -46.597 where: short stacking energy: -43.110 Base-Backbone interact. energy: -0.422 local terms energy: -61.175146 where: bonds (distance) C4'-P energy: -15.189 bonds (distance) P-C4' energy: -20.067 flat angles C4'-P-C4' energy: -13.735 flat angles P-C4'-P energy: -7.777 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: 1, replica: 2 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -204.915002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.915002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.915002 (E_RNA) where: Base-Base interactions energy: -107.579 where: short stacking energy: -107.579 Base-Backbone interact. energy: -0.176 local terms energy: -97.160813 where: bonds (distance) C4'-P energy: -20.231 bonds (distance) P-C4' energy: -20.170 flat angles C4'-P-C4' energy: -17.596 flat angles P-C4'-P energy: -16.010 tors. eta vs tors. theta energy: -23.153 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: 299 Temperature: 0.950000 Total energy: -209.017226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.017226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.017226 (E_RNA) where: Base-Base interactions energy: -109.519 where: short stacking energy: -109.519 Base-Backbone interact. energy: -0.000 local terms energy: -99.498085 where: bonds (distance) C4'-P energy: -20.129 bonds (distance) P-C4' energy: -18.813 flat angles C4'-P-C4' energy: -22.058 flat angles P-C4'-P energy: -11.861 tors. eta vs tors. theta energy: -26.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -193.333976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.333976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.333976 (E_RNA) where: Base-Base interactions energy: -104.607 where: short stacking energy: -104.607 Base-Backbone interact. energy: -0.009 local terms energy: -88.718935 where: bonds (distance) C4'-P energy: -20.103 bonds (distance) P-C4' energy: -18.902 flat angles C4'-P-C4' energy: -16.168 flat angles P-C4'-P energy: -11.652 tors. eta vs tors. theta energy: -21.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -185.368821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.368821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.368821 (E_RNA) where: Base-Base interactions energy: -98.990 where: short stacking energy: -99.290 Base-Backbone interact. energy: -0.368 local terms energy: -86.010985 where: bonds (distance) C4'-P energy: -16.800 bonds (distance) P-C4' energy: -18.672 flat angles C4'-P-C4' energy: -16.141 flat angles P-C4'-P energy: -11.147 tors. eta vs tors. theta energy: -23.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -154.163221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.163221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.163221 (E_RNA) where: Base-Base interactions energy: -77.268 where: short stacking energy: -78.540 Base-Backbone interact. energy: -2.234 local terms energy: -74.661296 where: bonds (distance) C4'-P energy: -11.474 bonds (distance) P-C4' energy: -20.846 flat angles C4'-P-C4' energy: -18.703 flat angles P-C4'-P energy: -11.442 tors. eta vs tors. theta energy: -12.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -155.716948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.716948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.716948 (E_RNA) where: Base-Base interactions energy: -76.363 where: short stacking energy: -74.637 Base-Backbone interact. energy: -0.083 local terms energy: -79.271588 where: bonds (distance) C4'-P energy: -14.831 bonds (distance) P-C4' energy: -20.665 flat angles C4'-P-C4' energy: -17.337 flat angles P-C4'-P energy: -14.263 tors. eta vs tors. theta energy: -12.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -132.236806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.236806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.236806 (E_RNA) where: Base-Base interactions energy: -58.225 where: short stacking energy: -58.225 Base-Backbone interact. energy: -0.083 local terms energy: -73.928779 where: bonds (distance) C4'-P energy: -15.627 bonds (distance) P-C4' energy: -20.210 flat angles C4'-P-C4' energy: -11.655 flat angles P-C4'-P energy: -12.077 tors. eta vs tors. theta energy: -14.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -141.376678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.376678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.376678 (E_RNA) where: Base-Base interactions energy: -77.680 where: short stacking energy: -77.680 Base-Backbone interact. energy: -0.134 local terms energy: -63.562492 where: bonds (distance) C4'-P energy: -12.686 bonds (distance) P-C4' energy: -15.140 flat angles C4'-P-C4' energy: -16.819 flat angles P-C4'-P energy: -7.502 tors. eta vs tors. theta energy: -11.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -113.777241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.777241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.777241 (E_RNA) where: Base-Base interactions energy: -56.535 where: short stacking energy: -56.192 Base-Backbone interact. energy: -0.498 local terms energy: -56.744510 where: bonds (distance) C4'-P energy: -11.987 bonds (distance) P-C4' energy: -10.717 flat angles C4'-P-C4' energy: -16.076 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -8.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -119.146414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.146414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.146414 (E_RNA) where: Base-Base interactions energy: -51.910 where: short stacking energy: -51.768 Base-Backbone interact. energy: -1.340 local terms energy: -65.895935 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -16.493 flat angles C4'-P-C4' energy: -17.366 flat angles P-C4'-P energy: -10.782 tors. eta vs tors. theta energy: -7.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -199.134640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.134640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.134640 (E_RNA) where: Base-Base interactions energy: -110.245 where: short stacking energy: -110.245 Base-Backbone interact. energy: -0.001 local terms energy: -88.888926 where: bonds (distance) C4'-P energy: -16.911 bonds (distance) P-C4' energy: -20.397 flat angles C4'-P-C4' energy: -19.371 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -21.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -195.357673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.357673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.357673 (E_RNA) where: Base-Base interactions energy: -103.006 where: short stacking energy: -102.604 Base-Backbone interact. energy: -0.027 local terms energy: -92.325081 where: bonds (distance) C4'-P energy: -17.072 bonds (distance) P-C4' energy: -17.772 flat angles C4'-P-C4' energy: -21.240 flat angles P-C4'-P energy: -13.283 tors. eta vs tors. theta energy: -22.957 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: 1 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -194.514759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.514759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.514759 (E_RNA) where: Base-Base interactions energy: -96.106 where: short stacking energy: -96.106 Base-Backbone interact. energy: -0.009 local terms energy: -98.399229 where: bonds (distance) C4'-P energy: -13.198 bonds (distance) P-C4' energy: -21.454 flat angles C4'-P-C4' energy: -22.751 flat angles P-C4'-P energy: -14.751 tors. eta vs tors. theta energy: -26.244 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: 5 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -184.961629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.961629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.961629 (E_RNA) where: Base-Base interactions energy: -98.935 where: short stacking energy: -98.935 Base-Backbone interact. energy: -0.003 local terms energy: -86.023472 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -19.921 flat angles C4'-P-C4' energy: -17.353 flat angles P-C4'-P energy: -14.022 tors. eta vs tors. theta energy: -22.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -147.801926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.801926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.801926 (E_RNA) where: Base-Base interactions energy: -73.056 where: short stacking energy: -73.056 Base-Backbone interact. energy: -0.032 local terms energy: -74.713457 where: bonds (distance) C4'-P energy: -10.779 bonds (distance) P-C4' energy: -17.910 flat angles C4'-P-C4' energy: -20.536 flat angles P-C4'-P energy: -12.170 tors. eta vs tors. theta energy: -13.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -157.162190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.162190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.162190 (E_RNA) where: Base-Base interactions energy: -80.018 where: short stacking energy: -78.937 Base-Backbone interact. energy: -0.065 local terms energy: -77.078414 where: bonds (distance) C4'-P energy: -10.980 bonds (distance) P-C4' energy: -17.136 flat angles C4'-P-C4' energy: -22.125 flat angles P-C4'-P energy: -12.111 tors. eta vs tors. theta energy: -14.726 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: 3 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -138.868287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.868287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.868287 (E_RNA) where: Base-Base interactions energy: -68.843 where: short stacking energy: -66.531 Base-Backbone interact. energy: -0.108 local terms energy: -69.917444 where: bonds (distance) C4'-P energy: -14.709 bonds (distance) P-C4' energy: -15.415 flat angles C4'-P-C4' energy: -17.519 flat angles P-C4'-P energy: -8.494 tors. eta vs tors. theta energy: -13.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -127.194016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.194016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.194016 (E_RNA) where: Base-Base interactions energy: -62.781 where: short stacking energy: -57.325 Base-Backbone interact. energy: -0.090 local terms energy: -64.322951 where: bonds (distance) C4'-P energy: -15.852 bonds (distance) P-C4' energy: -15.589 flat angles C4'-P-C4' energy: -16.809 flat angles P-C4'-P energy: -9.072 tors. eta vs tors. theta energy: -7.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -130.290655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.290655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.290655 (E_RNA) where: Base-Base interactions energy: -60.170 where: short stacking energy: -59.640 Base-Backbone interact. energy: 0.247 local terms energy: -70.368008 where: bonds (distance) C4'-P energy: -15.642 bonds (distance) P-C4' energy: -16.814 flat angles C4'-P-C4' energy: -15.075 flat angles P-C4'-P energy: -12.007 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: 10, replica: 10 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -114.432471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.432471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.432471 (E_RNA) where: Base-Base interactions energy: -50.677 where: short stacking energy: -47.800 Base-Backbone interact. energy: -0.338 local terms energy: -63.417833 where: bonds (distance) C4'-P energy: -17.407 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -10.049 flat angles P-C4'-P energy: -15.841 tors. eta vs tors. theta energy: -6.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -203.223782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.223782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.223782 (E_RNA) where: Base-Base interactions energy: -109.097 where: short stacking energy: -109.097 Base-Backbone interact. energy: -0.002 local terms energy: -94.125587 where: bonds (distance) C4'-P energy: -18.604 bonds (distance) P-C4' energy: -20.785 flat angles C4'-P-C4' energy: -20.016 flat angles P-C4'-P energy: -12.001 tors. eta vs tors. theta energy: -22.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -200.514655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.514655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.514655 (E_RNA) where: Base-Base interactions energy: -111.467 where: short stacking energy: -111.467 Base-Backbone interact. energy: 0.272 local terms energy: -89.319928 where: bonds (distance) C4'-P energy: -17.566 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -18.348 flat angles P-C4'-P energy: -14.188 tors. eta vs tors. theta energy: -25.034 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: 3, replica: 1 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -188.772375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.772375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.772375 (E_RNA) where: Base-Base interactions energy: -99.577 where: short stacking energy: -96.971 Base-Backbone interact. energy: -0.170 local terms energy: -89.025709 where: bonds (distance) C4'-P energy: -17.326 bonds (distance) P-C4' energy: -19.658 flat angles C4'-P-C4' energy: -20.130 flat angles P-C4'-P energy: -9.802 tors. eta vs tors. theta energy: -22.110 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: 4, replica: 5 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -194.876075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.876075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.876075 (E_RNA) where: Base-Base interactions energy: -103.016 where: short stacking energy: -103.016 Base-Backbone interact. energy: -0.099 local terms energy: -91.760872 where: bonds (distance) C4'-P energy: -18.894 bonds (distance) P-C4' energy: -19.753 flat angles C4'-P-C4' energy: -18.507 flat angles P-C4'-P energy: -12.611 tors. eta vs tors. theta energy: -21.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -164.697494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.697494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.697494 (E_RNA) where: Base-Base interactions energy: -86.350 where: short stacking energy: -86.350 Base-Backbone interact. energy: -0.019 local terms energy: -78.327885 where: bonds (distance) C4'-P energy: -8.378 bonds (distance) P-C4' energy: -18.451 flat angles C4'-P-C4' energy: -19.972 flat angles P-C4'-P energy: -12.697 tors. eta vs tors. theta energy: -18.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -152.278476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.278476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.278476 (E_RNA) where: Base-Base interactions energy: -77.215 where: short stacking energy: -77.215 Base-Backbone interact. energy: 0.787 local terms energy: -75.850033 where: bonds (distance) C4'-P energy: -14.328 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -17.232 flat angles P-C4'-P energy: -12.107 tors. eta vs tors. theta energy: -15.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -156.359009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.359009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.359009 (E_RNA) where: Base-Base interactions energy: -79.311 where: short stacking energy: -79.311 Base-Backbone interact. energy: 0.892 local terms energy: -77.939219 where: bonds (distance) C4'-P energy: -10.988 bonds (distance) P-C4' energy: -19.865 flat angles C4'-P-C4' energy: -18.701 flat angles P-C4'-P energy: -14.261 tors. eta vs tors. theta energy: -14.124 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: 301 Temperature: 1.250000 Total energy: -138.754835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.754835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.754835 (E_RNA) where: Base-Base interactions energy: -72.301 where: short stacking energy: -72.301 Base-Backbone interact. energy: -0.112 local terms energy: -66.341407 where: bonds (distance) C4'-P energy: -14.317 bonds (distance) P-C4' energy: -16.612 flat angles C4'-P-C4' energy: -13.197 flat angles P-C4'-P energy: -9.755 tors. eta vs tors. theta energy: -12.461 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: 4 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -125.564792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.564792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.564792 (E_RNA) where: Base-Base interactions energy: -52.682 where: short stacking energy: -52.802 Base-Backbone interact. energy: -0.047 local terms energy: -72.835189 where: bonds (distance) C4'-P energy: -16.742 bonds (distance) P-C4' energy: -20.849 flat angles C4'-P-C4' energy: -11.559 flat angles P-C4'-P energy: -10.077 tors. eta vs tors. theta energy: -13.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -120.210571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.210571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.210571 (E_RNA) where: Base-Base interactions energy: -50.095 where: short stacking energy: -50.095 Base-Backbone interact. energy: -0.172 local terms energy: -69.943732 where: bonds (distance) C4'-P energy: -15.545 bonds (distance) P-C4' energy: -16.498 flat angles C4'-P-C4' energy: -16.716 flat angles P-C4'-P energy: -9.952 tors. eta vs tors. theta energy: -11.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -214.270725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.270725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.270725 (E_RNA) where: Base-Base interactions energy: -123.600 where: short stacking energy: -123.600 Base-Backbone interact. energy: -0.036 local terms energy: -90.634615 where: bonds (distance) C4'-P energy: -15.114 bonds (distance) P-C4' energy: -15.364 flat angles C4'-P-C4' energy: -22.926 flat angles P-C4'-P energy: -8.235 tors. eta vs tors. theta energy: -28.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -200.891804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.891804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.891804 (E_RNA) where: Base-Base interactions energy: -105.166 where: short stacking energy: -105.166 Base-Backbone interact. energy: -0.010 local terms energy: -95.715201 where: bonds (distance) C4'-P energy: -19.101 bonds (distance) P-C4' energy: -19.854 flat angles C4'-P-C4' energy: -19.743 flat angles P-C4'-P energy: -13.384 tors. eta vs tors. theta energy: -23.633 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: 3, replica: 5 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -194.447064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.447064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.447064 (E_RNA) where: Base-Base interactions energy: -106.654 where: short stacking energy: -106.654 Base-Backbone interact. energy: -0.093 local terms energy: -87.700309 where: bonds (distance) C4'-P energy: -15.201 bonds (distance) P-C4' energy: -18.038 flat angles C4'-P-C4' energy: -22.225 flat angles P-C4'-P energy: -10.415 tors. eta vs tors. theta energy: -21.820 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: 1 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -169.772877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.772877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.772877 (E_RNA) where: Base-Base interactions energy: -90.254 where: short stacking energy: -90.254 Base-Backbone interact. energy: -0.099 local terms energy: -79.420132 where: bonds (distance) C4'-P energy: -16.431 bonds (distance) P-C4' energy: -18.213 flat angles C4'-P-C4' energy: -18.847 flat angles P-C4'-P energy: -9.969 tors. eta vs tors. theta energy: -15.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -148.737395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.737395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.737395 (E_RNA) where: Base-Base interactions energy: -71.894 where: short stacking energy: -71.894 Base-Backbone interact. energy: -0.059 local terms energy: -76.783647 where: bonds (distance) C4'-P energy: -14.921 bonds (distance) P-C4' energy: -19.270 flat angles C4'-P-C4' energy: -17.668 flat angles P-C4'-P energy: -11.266 tors. eta vs tors. theta energy: -13.659 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: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -155.958954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.958954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.958954 (E_RNA) where: Base-Base interactions energy: -82.844 where: short stacking energy: -82.844 Base-Backbone interact. energy: -0.569 local terms energy: -72.546418 where: bonds (distance) C4'-P energy: -16.196 bonds (distance) P-C4' energy: -17.650 flat angles C4'-P-C4' energy: -16.260 flat angles P-C4'-P energy: -8.484 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: 7, replica: 3 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -145.778019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.778019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.778019 (E_RNA) where: Base-Base interactions energy: -75.628 where: short stacking energy: -75.628 Base-Backbone interact. energy: -0.116 local terms energy: -70.034137 where: bonds (distance) C4'-P energy: -12.640 bonds (distance) P-C4' energy: -18.380 flat angles C4'-P-C4' energy: -17.438 flat angles P-C4'-P energy: -11.710 tors. eta vs tors. theta energy: -9.866 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: 302 Temperature: 1.250000 Total energy: -123.812911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.812911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.812911 (E_RNA) where: Base-Base interactions energy: -53.751 where: short stacking energy: -53.751 Base-Backbone interact. energy: 0.187 local terms energy: -70.249411 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -18.026 flat angles C4'-P-C4' energy: -16.948 flat angles P-C4'-P energy: -9.784 tors. eta vs tors. theta energy: -10.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -120.119683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.119683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.119683 (E_RNA) where: Base-Base interactions energy: -52.626 where: short stacking energy: -52.568 Base-Backbone interact. energy: 0.078 local terms energy: -67.572399 where: bonds (distance) C4'-P energy: -19.190 bonds (distance) P-C4' energy: -16.122 flat angles C4'-P-C4' energy: -18.238 flat angles P-C4'-P energy: -12.998 tors. eta vs tors. theta energy: -1.025 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: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -124.682893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.682893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.682893 (E_RNA) where: Base-Base interactions energy: -54.779 where: short stacking energy: -54.778 Base-Backbone interact. energy: -0.185 local terms energy: -69.718847 where: bonds (distance) C4'-P energy: -12.568 bonds (distance) P-C4' energy: -18.769 flat angles C4'-P-C4' energy: -20.821 flat angles P-C4'-P energy: -12.713 tors. eta vs tors. theta energy: -4.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -198.560332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.560332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.560332 (E_RNA) where: Base-Base interactions energy: -111.975 where: short stacking energy: -111.975 Base-Backbone interact. energy: -0.001 local terms energy: -86.584725 where: bonds (distance) C4'-P energy: -15.313 bonds (distance) P-C4' energy: -17.758 flat angles C4'-P-C4' energy: -16.940 flat angles P-C4'-P energy: -13.444 tors. eta vs tors. theta energy: -23.131 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: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -190.637656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.637656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.637656 (E_RNA) where: Base-Base interactions energy: -99.825 where: short stacking energy: -99.825 Base-Backbone interact. energy: -0.153 local terms energy: -90.659389 where: bonds (distance) C4'-P energy: -15.448 bonds (distance) P-C4' energy: -21.451 flat angles C4'-P-C4' energy: -18.807 flat angles P-C4'-P energy: -13.608 tors. eta vs tors. theta energy: -21.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -198.621019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.621019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.621019 (E_RNA) where: Base-Base interactions energy: -113.744 where: short stacking energy: -113.744 Base-Backbone interact. energy: -0.001 local terms energy: -84.876460 where: bonds (distance) C4'-P energy: -15.425 bonds (distance) P-C4' energy: -18.644 flat angles C4'-P-C4' energy: -14.904 flat angles P-C4'-P energy: -11.515 tors. eta vs tors. theta energy: -24.388 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: 1 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -179.157260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.157260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.157260 (E_RNA) where: Base-Base interactions energy: -88.401 where: short stacking energy: -88.389 Base-Backbone interact. energy: -0.089 local terms energy: -90.667269 where: bonds (distance) C4'-P energy: -20.124 bonds (distance) P-C4' energy: -20.523 flat angles C4'-P-C4' energy: -16.206 flat angles P-C4'-P energy: -12.847 tors. eta vs tors. theta energy: -20.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -157.515578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.515578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.515578 (E_RNA) where: Base-Base interactions energy: -74.168 where: short stacking energy: -74.168 Base-Backbone interact. energy: -0.036 local terms energy: -83.312063 where: bonds (distance) C4'-P energy: -19.680 bonds (distance) P-C4' energy: -19.642 flat angles C4'-P-C4' energy: -14.100 flat angles P-C4'-P energy: -17.425 tors. eta vs tors. theta energy: -12.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -157.375807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.375807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.375807 (E_RNA) where: Base-Base interactions energy: -81.238 where: short stacking energy: -79.954 Base-Backbone interact. energy: -0.151 local terms energy: -75.986974 where: bonds (distance) C4'-P energy: -15.831 bonds (distance) P-C4' energy: -19.147 flat angles C4'-P-C4' energy: -15.547 flat angles P-C4'-P energy: -14.751 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: 7, replica: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -153.199221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.199221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.199221 (E_RNA) where: Base-Base interactions energy: -78.213 where: short stacking energy: -78.213 Base-Backbone interact. energy: -0.688 local terms energy: -74.298098 where: bonds (distance) C4'-P energy: -15.004 bonds (distance) P-C4' energy: -15.860 flat angles C4'-P-C4' energy: -16.618 flat angles P-C4'-P energy: -12.532 tors. eta vs tors. theta energy: -14.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -125.490783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.490783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.490783 (E_RNA) where: Base-Base interactions energy: -57.123 where: short stacking energy: -57.123 Base-Backbone interact. energy: -0.366 local terms energy: -68.002280 where: bonds (distance) C4'-P energy: -15.635 bonds (distance) P-C4' energy: -17.701 flat angles C4'-P-C4' energy: -18.320 flat angles P-C4'-P energy: -10.256 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: 303 Temperature: 1.300000 Total energy: -125.090655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.090655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.090655 (E_RNA) where: Base-Base interactions energy: -61.098 where: short stacking energy: -61.098 Base-Backbone interact. energy: -0.112 local terms energy: -63.880100 where: bonds (distance) C4'-P energy: -14.365 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -13.631 flat angles P-C4'-P energy: -6.992 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: 10, replica: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -111.291176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.291176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.291176 (E_RNA) where: Base-Base interactions energy: -51.546 where: short stacking energy: -51.646 Base-Backbone interact. energy: -0.088 local terms energy: -59.657333 where: bonds (distance) C4'-P energy: -16.916 bonds (distance) P-C4' energy: -12.868 flat angles C4'-P-C4' energy: -12.770 flat angles P-C4'-P energy: -15.067 tors. eta vs tors. theta energy: -2.036 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: 1, replica: 8 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -200.073706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.073706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.073706 (E_RNA) where: Base-Base interactions energy: -106.174 where: short stacking energy: -106.174 Base-Backbone interact. energy: -0.002 local terms energy: -93.898094 where: bonds (distance) C4'-P energy: -18.451 bonds (distance) P-C4' energy: -19.933 flat angles C4'-P-C4' energy: -15.987 flat angles P-C4'-P energy: -15.514 tors. eta vs tors. theta energy: -24.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -199.510715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.510715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.510715 (E_RNA) where: Base-Base interactions energy: -109.191 where: short stacking energy: -108.690 Base-Backbone interact. energy: -0.188 local terms energy: -90.130986 where: bonds (distance) C4'-P energy: -18.260 bonds (distance) P-C4' energy: -18.749 flat angles C4'-P-C4' energy: -20.891 flat angles P-C4'-P energy: -11.318 tors. eta vs tors. theta energy: -20.913 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: 304 Temperature: 1.000000 Total energy: -209.080461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.080461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.080461 (E_RNA) where: Base-Base interactions energy: -113.713 where: short stacking energy: -113.713 Base-Backbone interact. energy: -0.050 local terms energy: -95.317520 where: bonds (distance) C4'-P energy: -16.583 bonds (distance) P-C4' energy: -18.790 flat angles C4'-P-C4' energy: -20.097 flat angles P-C4'-P energy: -11.916 tors. eta vs tors. theta energy: -27.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -188.393994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.393994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.393994 (E_RNA) where: Base-Base interactions energy: -102.661 where: short stacking energy: -102.661 Base-Backbone interact. energy: -0.284 local terms energy: -85.448150 where: bonds (distance) C4'-P energy: -16.200 bonds (distance) P-C4' energy: -17.121 flat angles C4'-P-C4' energy: -16.888 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -26.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -165.140236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.140236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.140236 (E_RNA) where: Base-Base interactions energy: -87.892 where: short stacking energy: -87.892 Base-Backbone interact. energy: 0.251 local terms energy: -77.498801 where: bonds (distance) C4'-P energy: -15.927 bonds (distance) P-C4' energy: -15.733 flat angles C4'-P-C4' energy: -19.527 flat angles P-C4'-P energy: -8.767 tors. eta vs tors. theta energy: -17.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -144.869910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.869910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.869910 (E_RNA) where: Base-Base interactions energy: -67.289 where: short stacking energy: -67.053 Base-Backbone interact. energy: -0.015 local terms energy: -77.565669 where: bonds (distance) C4'-P energy: -17.702 bonds (distance) P-C4' energy: -14.493 flat angles C4'-P-C4' energy: -18.113 flat angles P-C4'-P energy: -14.212 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: 7, replica: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -139.467795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.467795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.467795 (E_RNA) where: Base-Base interactions energy: -69.278 where: short stacking energy: -69.278 Base-Backbone interact. energy: -0.255 local terms energy: -69.934823 where: bonds (distance) C4'-P energy: -15.359 bonds (distance) P-C4' energy: -17.939 flat angles C4'-P-C4' energy: -15.214 flat angles P-C4'-P energy: -11.427 tors. eta vs tors. theta energy: -9.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -137.378997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.378997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.378997 (E_RNA) where: Base-Base interactions energy: -64.451 where: short stacking energy: -64.333 Base-Backbone interact. energy: -0.118 local terms energy: -72.810171 where: bonds (distance) C4'-P energy: -18.096 bonds (distance) P-C4' energy: -16.818 flat angles C4'-P-C4' energy: -17.521 flat angles P-C4'-P energy: -7.728 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: 9, replica: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -125.093676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.093676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.093676 (E_RNA) where: Base-Base interactions energy: -64.099 where: short stacking energy: -64.099 Base-Backbone interact. energy: 0.548 local terms energy: -61.542415 where: bonds (distance) C4'-P energy: -11.851 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -16.654 flat angles P-C4'-P energy: -8.770 tors. eta vs tors. theta energy: -11.002 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: 4 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -104.194261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.194261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.194261 (E_RNA) where: Base-Base interactions energy: -50.573 where: short stacking energy: -51.292 Base-Backbone interact. energy: -0.337 local terms energy: -53.283712 where: bonds (distance) C4'-P energy: -18.811 bonds (distance) P-C4' energy: -12.994 flat angles C4'-P-C4' energy: -12.999 flat angles P-C4'-P energy: -2.349 tors. eta vs tors. theta energy: -6.129 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: 8 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -201.184289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.184289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.184289 (E_RNA) where: Base-Base interactions energy: -103.369 where: short stacking energy: -103.369 Base-Backbone interact. energy: -0.000 local terms energy: -97.815079 where: bonds (distance) C4'-P energy: -19.242 bonds (distance) P-C4' energy: -22.205 flat angles C4'-P-C4' energy: -18.160 flat angles P-C4'-P energy: -14.018 tors. eta vs tors. theta energy: -24.190 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: 2 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -207.520766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.520766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.520766 (E_RNA) where: Base-Base interactions energy: -108.433 where: short stacking energy: -108.433 Base-Backbone interact. energy: -0.000 local terms energy: -99.087464 where: bonds (distance) C4'-P energy: -19.411 bonds (distance) P-C4' energy: -19.639 flat angles C4'-P-C4' energy: -22.775 flat angles P-C4'-P energy: -14.390 tors. eta vs tors. theta energy: -22.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -188.721420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.721420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.721420 (E_RNA) where: Base-Base interactions energy: -87.961 where: short stacking energy: -87.961 Base-Backbone interact. energy: -0.053 local terms energy: -100.707142 where: bonds (distance) C4'-P energy: -19.458 bonds (distance) P-C4' energy: -20.939 flat angles C4'-P-C4' energy: -20.830 flat angles P-C4'-P energy: -15.041 tors. eta vs tors. theta energy: -24.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -196.915734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.915734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.915734 (E_RNA) where: Base-Base interactions energy: -108.500 where: short stacking energy: -108.500 Base-Backbone interact. energy: -0.003 local terms energy: -88.412569 where: bonds (distance) C4'-P energy: -19.010 bonds (distance) P-C4' energy: -18.789 flat angles C4'-P-C4' energy: -19.226 flat angles P-C4'-P energy: -7.699 tors. eta vs tors. theta energy: -23.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -162.807587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.807587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.807587 (E_RNA) where: Base-Base interactions energy: -84.561 where: short stacking energy: -84.561 Base-Backbone interact. energy: -0.114 local terms energy: -78.133025 where: bonds (distance) C4'-P energy: -11.693 bonds (distance) P-C4' energy: -17.718 flat angles C4'-P-C4' energy: -17.771 flat angles P-C4'-P energy: -15.658 tors. eta vs tors. theta energy: -15.293 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: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -143.306685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.306685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.306685 (E_RNA) where: Base-Base interactions energy: -67.789 where: short stacking energy: -67.789 Base-Backbone interact. energy: 0.317 local terms energy: -75.833939 where: bonds (distance) C4'-P energy: -13.065 bonds (distance) P-C4' energy: -21.690 flat angles C4'-P-C4' energy: -21.120 flat angles P-C4'-P energy: -9.006 tors. eta vs tors. theta energy: -10.953 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: 7 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -136.790992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.790992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.790992 (E_RNA) where: Base-Base interactions energy: -66.351 where: short stacking energy: -66.351 Base-Backbone interact. energy: -0.009 local terms energy: -70.430347 where: bonds (distance) C4'-P energy: -16.176 bonds (distance) P-C4' energy: -16.781 flat angles C4'-P-C4' energy: -17.084 flat angles P-C4'-P energy: -11.330 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: 8, replica: 9 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -125.908103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.908103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.908103 (E_RNA) where: Base-Base interactions energy: -55.947 where: short stacking energy: -55.947 Base-Backbone interact. energy: -0.047 local terms energy: -69.914476 where: bonds (distance) C4'-P energy: -15.225 bonds (distance) P-C4' energy: -18.238 flat angles C4'-P-C4' energy: -16.688 flat angles P-C4'-P energy: -10.483 tors. eta vs tors. theta energy: -9.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -117.177560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.177560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.177560 (E_RNA) where: Base-Base interactions energy: -57.922 where: short stacking energy: -57.922 Base-Backbone interact. energy: -0.415 local terms energy: -58.839837 where: bonds (distance) C4'-P energy: -11.931 bonds (distance) P-C4' energy: -15.959 flat angles C4'-P-C4' energy: -16.138 flat angles P-C4'-P energy: -11.698 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: 4 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -126.857385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.857385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.857385 (E_RNA) where: Base-Base interactions energy: -56.370 where: short stacking energy: -56.370 Base-Backbone interact. energy: -0.234 local terms energy: -70.253969 where: bonds (distance) C4'-P energy: -11.315 bonds (distance) P-C4' energy: -19.179 flat angles C4'-P-C4' energy: -16.522 flat angles P-C4'-P energy: -9.455 tors. eta vs tors. theta energy: -13.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -208.923371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.923371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.923371 (E_RNA) where: Base-Base interactions energy: -116.771 where: short stacking energy: -116.771 Base-Backbone interact. energy: -0.002 local terms energy: -92.150460 where: bonds (distance) C4'-P energy: -15.060 bonds (distance) P-C4' energy: -18.382 flat angles C4'-P-C4' energy: -19.391 flat angles P-C4'-P energy: -12.812 tors. eta vs tors. theta energy: -26.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -206.844854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.844854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.844854 (E_RNA) where: Base-Base interactions energy: -115.468 where: short stacking energy: -115.468 Base-Backbone interact. energy: -0.382 local terms energy: -90.995522 where: bonds (distance) C4'-P energy: -17.230 bonds (distance) P-C4' energy: -20.889 flat angles C4'-P-C4' energy: -16.760 flat angles P-C4'-P energy: -10.054 tors. eta vs tors. theta energy: -26.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -191.344055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.344055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.344055 (E_RNA) where: Base-Base interactions energy: -98.075 where: short stacking energy: -98.075 Base-Backbone interact. energy: 0.716 local terms energy: -93.984979 where: bonds (distance) C4'-P energy: -18.790 bonds (distance) P-C4' energy: -22.585 flat angles C4'-P-C4' energy: -18.912 flat angles P-C4'-P energy: -12.659 tors. eta vs tors. theta energy: -21.039 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: 1 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -194.378973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.378973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.378973 (E_RNA) where: Base-Base interactions energy: -105.437 where: short stacking energy: -105.437 Base-Backbone interact. energy: -0.630 local terms energy: -88.312768 where: bonds (distance) C4'-P energy: -18.319 bonds (distance) P-C4' energy: -14.393 flat angles C4'-P-C4' energy: -20.455 flat angles P-C4'-P energy: -10.734 tors. eta vs tors. theta energy: -24.411 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: 3 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -161.438262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.438262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.438262 (E_RNA) where: Base-Base interactions energy: -80.512 where: short stacking energy: -80.512 Base-Backbone interact. energy: 0.907 local terms energy: -81.832379 where: bonds (distance) C4'-P energy: -18.016 bonds (distance) P-C4' energy: -19.644 flat angles C4'-P-C4' energy: -18.207 flat angles P-C4'-P energy: -10.167 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: 6, replica: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -172.259571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.259571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.259571 (E_RNA) where: Base-Base interactions energy: -87.894 where: short stacking energy: -87.894 Base-Backbone interact. energy: -0.113 local terms energy: -84.252630 where: bonds (distance) C4'-P energy: -19.681 bonds (distance) P-C4' energy: -18.759 flat angles C4'-P-C4' energy: -18.783 flat angles P-C4'-P energy: -11.302 tors. eta vs tors. theta energy: -15.728 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: 7, replica: 7 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -139.017558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.017558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.017558 (E_RNA) where: Base-Base interactions energy: -67.775 where: short stacking energy: -67.775 Base-Backbone interact. energy: -0.060 local terms energy: -71.182991 where: bonds (distance) C4'-P energy: -15.578 bonds (distance) P-C4' energy: -13.639 flat angles C4'-P-C4' energy: -16.591 flat angles P-C4'-P energy: -11.385 tors. eta vs tors. theta energy: -13.989 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: 306 Temperature: 1.250000 Total energy: -134.855861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.855861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.855861 (E_RNA) where: Base-Base interactions energy: -67.557 where: short stacking energy: -67.557 Base-Backbone interact. energy: -0.062 local terms energy: -67.236787 where: bonds (distance) C4'-P energy: -9.849 bonds (distance) P-C4' energy: -20.056 flat angles C4'-P-C4' energy: -17.401 flat angles P-C4'-P energy: -8.877 tors. eta vs tors. theta energy: -11.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -112.539265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.539265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.539265 (E_RNA) where: Base-Base interactions energy: -53.279 where: short stacking energy: -53.279 Base-Backbone interact. energy: -0.115 local terms energy: -59.145854 where: bonds (distance) C4'-P energy: -15.491 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -19.336 flat angles P-C4'-P energy: -6.836 tors. eta vs tors. theta energy: -3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -134.020942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.020942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.020942 (E_RNA) where: Base-Base interactions energy: -69.258 where: short stacking energy: -69.258 Base-Backbone interact. energy: 5.104 local terms energy: -69.866684 where: bonds (distance) C4'-P energy: -9.999 bonds (distance) P-C4' energy: -13.654 flat angles C4'-P-C4' energy: -14.934 flat angles P-C4'-P energy: -13.325 tors. eta vs tors. theta energy: -17.954 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: 8 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -212.171814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.171814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.171814 (E_RNA) where: Base-Base interactions energy: -118.416 where: short stacking energy: -118.416 Base-Backbone interact. energy: -0.008 local terms energy: -93.747324 where: bonds (distance) C4'-P energy: -18.621 bonds (distance) P-C4' energy: -17.808 flat angles C4'-P-C4' energy: -19.318 flat angles P-C4'-P energy: -14.310 tors. eta vs tors. theta energy: -23.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -204.121479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.121479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.121479 (E_RNA) where: Base-Base interactions energy: -110.088 where: short stacking energy: -110.088 Base-Backbone interact. energy: -0.000 local terms energy: -94.033707 where: bonds (distance) C4'-P energy: -16.128 bonds (distance) P-C4' energy: -22.080 flat angles C4'-P-C4' energy: -16.399 flat angles P-C4'-P energy: -14.210 tors. eta vs tors. theta energy: -25.218 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: 2 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -204.910610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.910610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.910610 (E_RNA) where: Base-Base interactions energy: -109.132 where: short stacking energy: -109.132 Base-Backbone interact. energy: -0.012 local terms energy: -95.767035 where: bonds (distance) C4'-P energy: -17.711 bonds (distance) P-C4' energy: -20.552 flat angles C4'-P-C4' energy: -20.125 flat angles P-C4'-P energy: -13.875 tors. eta vs tors. theta energy: -23.504 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: 3 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -176.369747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.369747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.369747 (E_RNA) where: Base-Base interactions energy: -85.229 where: short stacking energy: -85.229 Base-Backbone interact. energy: -0.028 local terms energy: -91.113292 where: bonds (distance) C4'-P energy: -18.393 bonds (distance) P-C4' energy: -19.661 flat angles C4'-P-C4' energy: -19.786 flat angles P-C4'-P energy: -13.492 tors. eta vs tors. theta energy: -19.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -172.858968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.858968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.858968 (E_RNA) where: Base-Base interactions energy: -88.757 where: short stacking energy: -88.290 Base-Backbone interact. energy: -0.010 local terms energy: -84.092518 where: bonds (distance) C4'-P energy: -19.802 bonds (distance) P-C4' energy: -13.953 flat angles C4'-P-C4' energy: -18.339 flat angles P-C4'-P energy: -11.295 tors. eta vs tors. theta energy: -20.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -194.239240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.239240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.239240 (E_RNA) where: Base-Base interactions energy: -104.917 where: short stacking energy: -104.917 Base-Backbone interact. energy: -0.003 local terms energy: -89.319523 where: bonds (distance) C4'-P energy: -15.111 bonds (distance) P-C4' energy: -18.084 flat angles C4'-P-C4' energy: -17.113 flat angles P-C4'-P energy: -14.179 tors. eta vs tors. theta energy: -24.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -131.073326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.073326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.073326 (E_RNA) where: Base-Base interactions energy: -56.167 where: short stacking energy: -56.167 Base-Backbone interact. energy: -0.723 local terms energy: -74.184061 where: bonds (distance) C4'-P energy: -14.536 bonds (distance) P-C4' energy: -19.836 flat angles C4'-P-C4' energy: -13.673 flat angles P-C4'-P energy: -11.927 tors. eta vs tors. theta energy: -14.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -128.992109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.992109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.992109 (E_RNA) where: Base-Base interactions energy: -65.418 where: short stacking energy: -65.418 Base-Backbone interact. energy: -0.234 local terms energy: -63.340276 where: bonds (distance) C4'-P energy: -13.499 bonds (distance) P-C4' energy: -17.178 flat angles C4'-P-C4' energy: -16.742 flat angles P-C4'-P energy: -12.788 tors. eta vs tors. theta energy: -3.133 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: 4 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -149.736612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.736612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.736612 (E_RNA) where: Base-Base interactions energy: -67.898 where: short stacking energy: -68.219 Base-Backbone interact. energy: -0.095 local terms energy: -81.743546 where: bonds (distance) C4'-P energy: -17.768 bonds (distance) P-C4' energy: -21.472 flat angles C4'-P-C4' energy: -18.094 flat angles P-C4'-P energy: -10.905 tors. eta vs tors. theta energy: -13.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -124.318365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.318365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.318365 (E_RNA) where: Base-Base interactions energy: -56.419 where: short stacking energy: -56.419 Base-Backbone interact. energy: -0.092 local terms energy: -67.807293 where: bonds (distance) C4'-P energy: -14.702 bonds (distance) P-C4' energy: -14.017 flat angles C4'-P-C4' energy: -15.192 flat angles P-C4'-P energy: -12.224 tors. eta vs tors. theta energy: -11.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -213.544213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.544213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.544213 (E_RNA) where: Base-Base interactions energy: -114.580 where: short stacking energy: -114.580 Base-Backbone interact. energy: -0.100 local terms energy: -98.864770 where: bonds (distance) C4'-P energy: -18.525 bonds (distance) P-C4' energy: -19.123 flat angles C4'-P-C4' energy: -21.260 flat angles P-C4'-P energy: -11.858 tors. eta vs tors. theta energy: -28.099 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: 5 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -204.901440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.901440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.901440 (E_RNA) where: Base-Base interactions energy: -115.573 where: short stacking energy: -115.573 Base-Backbone interact. energy: -0.102 local terms energy: -89.226257 where: bonds (distance) C4'-P energy: -18.717 bonds (distance) P-C4' energy: -17.787 flat angles C4'-P-C4' energy: -19.549 flat angles P-C4'-P energy: -6.666 tors. eta vs tors. theta energy: -26.507 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: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -179.537316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.537316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.537316 (E_RNA) where: Base-Base interactions energy: -100.183 where: short stacking energy: -100.183 Base-Backbone interact. energy: -0.153 local terms energy: -79.201598 where: bonds (distance) C4'-P energy: -13.592 bonds (distance) P-C4' energy: -17.363 flat angles C4'-P-C4' energy: -17.558 flat angles P-C4'-P energy: -10.439 tors. eta vs tors. theta energy: -20.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -175.763343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.763343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.763343 (E_RNA) where: Base-Base interactions energy: -89.236 where: short stacking energy: -89.236 Base-Backbone interact. energy: 0.384 local terms energy: -86.911316 where: bonds (distance) C4'-P energy: -17.490 bonds (distance) P-C4' energy: -17.065 flat angles C4'-P-C4' energy: -16.256 flat angles P-C4'-P energy: -14.969 tors. eta vs tors. theta energy: -21.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -153.673218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.673218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.673218 (E_RNA) where: Base-Base interactions energy: -77.991 where: short stacking energy: -77.991 Base-Backbone interact. energy: 0.081 local terms energy: -75.763050 where: bonds (distance) C4'-P energy: -17.817 bonds (distance) P-C4' energy: -18.114 flat angles C4'-P-C4' energy: -16.661 flat angles P-C4'-P energy: -12.295 tors. eta vs tors. theta energy: -10.877 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: 308 Temperature: 1.150000 Total energy: -143.225472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.225472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.225472 (E_RNA) where: Base-Base interactions energy: -69.802 where: short stacking energy: -69.802 Base-Backbone interact. energy: -0.114 local terms energy: -73.308858 where: bonds (distance) C4'-P energy: -18.969 bonds (distance) P-C4' energy: -19.843 flat angles C4'-P-C4' energy: -18.491 flat angles P-C4'-P energy: -9.135 tors. eta vs tors. theta energy: -6.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -156.937492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.937492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.937492 (E_RNA) where: Base-Base interactions energy: -80.124 where: short stacking energy: -80.124 Base-Backbone interact. energy: -0.034 local terms energy: -76.780024 where: bonds (distance) C4'-P energy: -15.183 bonds (distance) P-C4' energy: -20.363 flat angles C4'-P-C4' energy: -15.288 flat angles P-C4'-P energy: -6.551 tors. eta vs tors. theta energy: -19.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -136.582701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.582701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.582701 (E_RNA) where: Base-Base interactions energy: -65.579 where: short stacking energy: -65.579 Base-Backbone interact. energy: -0.108 local terms energy: -70.895217 where: bonds (distance) C4'-P energy: -18.107 bonds (distance) P-C4' energy: -15.964 flat angles C4'-P-C4' energy: -19.254 flat angles P-C4'-P energy: -5.585 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: 9, replica: 10 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -121.027552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.027552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.027552 (E_RNA) where: Base-Base interactions energy: -70.021 where: short stacking energy: -70.021 Base-Backbone interact. energy: -0.124 local terms energy: -50.883309 where: bonds (distance) C4'-P energy: -11.368 bonds (distance) P-C4' energy: -12.520 flat angles C4'-P-C4' energy: -14.959 flat angles P-C4'-P energy: -0.721 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: 10, replica: 4 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -97.578082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.578082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.578082 (E_RNA) where: Base-Base interactions energy: -38.735 where: short stacking energy: -35.417 Base-Backbone interact. energy: -0.170 local terms energy: -58.672467 where: bonds (distance) C4'-P energy: -9.800 bonds (distance) P-C4' energy: -20.102 flat angles C4'-P-C4' energy: -15.011 flat angles P-C4'-P energy: -9.738 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -216.393514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.393514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.393514 (E_RNA) where: Base-Base interactions energy: -120.607 where: short stacking energy: -120.607 Base-Backbone interact. energy: -0.000 local terms energy: -95.786417 where: bonds (distance) C4'-P energy: -18.328 bonds (distance) P-C4' energy: -19.431 flat angles C4'-P-C4' energy: -19.388 flat angles P-C4'-P energy: -10.233 tors. eta vs tors. theta energy: -28.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -213.414444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.414444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.414444 (E_RNA) where: Base-Base interactions energy: -117.800 where: short stacking energy: -117.800 Base-Backbone interact. energy: -0.030 local terms energy: -95.584642 where: bonds (distance) C4'-P energy: -15.880 bonds (distance) P-C4' energy: -19.045 flat angles C4'-P-C4' energy: -21.154 flat angles P-C4'-P energy: -12.957 tors. eta vs tors. theta energy: -26.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -189.662064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.662064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.662064 (E_RNA) where: Base-Base interactions energy: -97.455 where: short stacking energy: -97.415 Base-Backbone interact. energy: -0.003 local terms energy: -92.204032 where: bonds (distance) C4'-P energy: -22.379 bonds (distance) P-C4' energy: -19.761 flat angles C4'-P-C4' energy: -17.182 flat angles P-C4'-P energy: -12.696 tors. eta vs tors. theta energy: -20.186 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: 6 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -178.903735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.903735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.903735 (E_RNA) where: Base-Base interactions energy: -95.434 where: short stacking energy: -95.434 Base-Backbone interact. energy: -0.194 local terms energy: -83.274801 where: bonds (distance) C4'-P energy: -16.770 bonds (distance) P-C4' energy: -18.639 flat angles C4'-P-C4' energy: -19.179 flat angles P-C4'-P energy: -11.697 tors. eta vs tors. theta energy: -16.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -161.073781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.073781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.073781 (E_RNA) where: Base-Base interactions energy: -76.989 where: short stacking energy: -76.307 Base-Backbone interact. energy: -0.197 local terms energy: -83.887936 where: bonds (distance) C4'-P energy: -13.721 bonds (distance) P-C4' energy: -18.012 flat angles C4'-P-C4' energy: -21.332 flat angles P-C4'-P energy: -15.620 tors. eta vs tors. theta energy: -15.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -176.676943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.676943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.676943 (E_RNA) where: Base-Base interactions energy: -96.665 where: short stacking energy: -96.506 Base-Backbone interact. energy: -0.015 local terms energy: -79.996186 where: bonds (distance) C4'-P energy: -15.852 bonds (distance) P-C4' energy: -16.618 flat angles C4'-P-C4' energy: -18.541 flat angles P-C4'-P energy: -10.055 tors. eta vs tors. theta energy: -18.930 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: 309 Temperature: 1.200000 Total energy: -140.746816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.746816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.746816 (E_RNA) where: Base-Base interactions energy: -61.234 where: short stacking energy: -61.234 Base-Backbone interact. energy: -0.007 local terms energy: -79.505020 where: bonds (distance) C4'-P energy: -20.708 bonds (distance) P-C4' energy: -13.810 flat angles C4'-P-C4' energy: -18.258 flat angles P-C4'-P energy: -10.716 tors. eta vs tors. theta energy: -16.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -147.762690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.762690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.762690 (E_RNA) where: Base-Base interactions energy: -76.647 where: short stacking energy: -76.218 Base-Backbone interact. energy: -0.507 local terms energy: -70.608583 where: bonds (distance) C4'-P energy: -13.731 bonds (distance) P-C4' energy: -17.844 flat angles C4'-P-C4' energy: -14.667 flat angles P-C4'-P energy: -8.389 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: 9, replica: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -116.640257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.640257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.640257 (E_RNA) where: Base-Base interactions energy: -41.285 where: short stacking energy: -41.285 Base-Backbone interact. energy: -0.230 local terms energy: -75.124845 where: bonds (distance) C4'-P energy: -17.145 bonds (distance) P-C4' energy: -19.546 flat angles C4'-P-C4' energy: -20.868 flat angles P-C4'-P energy: -13.155 tors. eta vs tors. theta energy: -4.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -118.080544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.080544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.080544 (E_RNA) where: Base-Base interactions energy: -55.696 where: short stacking energy: -55.696 Base-Backbone interact. energy: -0.102 local terms energy: -62.282484 where: bonds (distance) C4'-P energy: -19.134 bonds (distance) P-C4' energy: -17.219 flat angles C4'-P-C4' energy: -9.070 flat angles P-C4'-P energy: -8.162 tors. eta vs tors. theta energy: -8.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -211.461432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.461432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.461432 (E_RNA) where: Base-Base interactions energy: -113.159 where: short stacking energy: -113.159 Base-Backbone interact. energy: 0.831 local terms energy: -99.132718 where: bonds (distance) C4'-P energy: -18.634 bonds (distance) P-C4' energy: -20.419 flat angles C4'-P-C4' energy: -20.159 flat angles P-C4'-P energy: -14.011 tors. eta vs tors. theta energy: -25.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -185.340765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.340765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.340765 (E_RNA) where: Base-Base interactions energy: -96.850 where: short stacking energy: -96.850 Base-Backbone interact. energy: -0.023 local terms energy: -88.467444 where: bonds (distance) C4'-P energy: -15.434 bonds (distance) P-C4' energy: -19.602 flat angles C4'-P-C4' energy: -21.588 flat angles P-C4'-P energy: -11.554 tors. eta vs tors. theta energy: -20.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -185.463289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.463289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.463289 (E_RNA) where: Base-Base interactions energy: -102.707 where: short stacking energy: -102.707 Base-Backbone interact. energy: -0.169 local terms energy: -82.586505 where: bonds (distance) C4'-P energy: -14.892 bonds (distance) P-C4' energy: -18.316 flat angles C4'-P-C4' energy: -17.063 flat angles P-C4'-P energy: -14.185 tors. eta vs tors. theta energy: -18.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -185.082554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.082554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.082554 (E_RNA) where: Base-Base interactions energy: -98.240 where: short stacking energy: -98.240 Base-Backbone interact. energy: -0.101 local terms energy: -86.741111 where: bonds (distance) C4'-P energy: -19.012 bonds (distance) P-C4' energy: -20.942 flat angles C4'-P-C4' energy: -18.139 flat angles P-C4'-P energy: -11.689 tors. eta vs tors. theta energy: -16.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -178.471485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.471485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.471485 (E_RNA) where: Base-Base interactions energy: -92.776 where: short stacking energy: -92.776 Base-Backbone interact. energy: 1.052 local terms energy: -86.748292 where: bonds (distance) C4'-P energy: -18.807 bonds (distance) P-C4' energy: -20.463 flat angles C4'-P-C4' energy: -16.757 flat angles P-C4'-P energy: -11.423 tors. eta vs tors. theta energy: -19.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -163.244254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.244254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.244254 (E_RNA) where: Base-Base interactions energy: -86.489 where: short stacking energy: -86.409 Base-Backbone interact. energy: -0.365 local terms energy: -76.389706 where: bonds (distance) C4'-P energy: -19.061 bonds (distance) P-C4' energy: -11.299 flat angles C4'-P-C4' energy: -20.261 flat angles P-C4'-P energy: -9.461 tors. eta vs tors. theta energy: -16.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -151.051242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.051242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.051242 (E_RNA) where: Base-Base interactions energy: -77.514 where: short stacking energy: -77.514 Base-Backbone interact. energy: 0.221 local terms energy: -73.758154 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -11.631 flat angles C4'-P-C4' energy: -17.512 flat angles P-C4'-P energy: -12.644 tors. eta vs tors. theta energy: -17.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -130.226045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.226045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.226045 (E_RNA) where: Base-Base interactions energy: -61.239 where: short stacking energy: -62.343 Base-Backbone interact. energy: -0.252 local terms energy: -68.734536 where: bonds (distance) C4'-P energy: -18.235 bonds (distance) P-C4' energy: -17.291 flat angles C4'-P-C4' energy: -15.308 flat angles P-C4'-P energy: -10.417 tors. eta vs tors. theta energy: -7.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -137.219219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.219219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.219219 (E_RNA) where: Base-Base interactions energy: -67.229 where: short stacking energy: -67.329 Base-Backbone interact. energy: -0.111 local terms energy: -69.879091 where: bonds (distance) C4'-P energy: -11.047 bonds (distance) P-C4' energy: -23.075 flat angles C4'-P-C4' energy: -14.514 flat angles P-C4'-P energy: -8.975 tors. eta vs tors. theta energy: -12.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -103.094583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.094583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.094583 (E_RNA) where: Base-Base interactions energy: -47.797 where: short stacking energy: -47.797 Base-Backbone interact. energy: -0.315 local terms energy: -54.982723 where: bonds (distance) C4'-P energy: -15.152 bonds (distance) P-C4' energy: -10.994 flat angles C4'-P-C4' energy: -14.461 flat angles P-C4'-P energy: -12.879 tors. eta vs tors. theta energy: -1.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -219.713793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.713793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.713793 (E_RNA) where: Base-Base interactions energy: -117.885 where: short stacking energy: -117.885 Base-Backbone interact. energy: -0.004 local terms energy: -101.824605 where: bonds (distance) C4'-P energy: -19.259 bonds (distance) P-C4' energy: -18.337 flat angles C4'-P-C4' energy: -20.554 flat angles P-C4'-P energy: -16.049 tors. eta vs tors. theta energy: -27.626 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: 6 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -193.199175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.199175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.199175 (E_RNA) where: Base-Base interactions energy: -102.516 where: short stacking energy: -102.516 Base-Backbone interact. energy: -0.796 local terms energy: -89.887003 where: bonds (distance) C4'-P energy: -20.034 bonds (distance) P-C4' energy: -16.261 flat angles C4'-P-C4' energy: -18.464 flat angles P-C4'-P energy: -13.162 tors. eta vs tors. theta energy: -21.967 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: 5 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -187.732545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.732545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.732545 (E_RNA) where: Base-Base interactions energy: -97.347 where: short stacking energy: -97.347 Base-Backbone interact. energy: -0.050 local terms energy: -90.335709 where: bonds (distance) C4'-P energy: -18.157 bonds (distance) P-C4' energy: -21.693 flat angles C4'-P-C4' energy: -16.411 flat angles P-C4'-P energy: -13.041 tors. eta vs tors. theta energy: -21.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -192.631283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.631283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.631283 (E_RNA) where: Base-Base interactions energy: -100.192 where: short stacking energy: -100.192 Base-Backbone interact. energy: -0.005 local terms energy: -92.434479 where: bonds (distance) C4'-P energy: -16.957 bonds (distance) P-C4' energy: -18.872 flat angles C4'-P-C4' energy: -20.278 flat angles P-C4'-P energy: -14.175 tors. eta vs tors. theta energy: -22.153 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: 3 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -174.234751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.234751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.234751 (E_RNA) where: Base-Base interactions energy: -91.705 where: short stacking energy: -91.705 Base-Backbone interact. energy: -0.742 local terms energy: -81.787911 where: bonds (distance) C4'-P energy: -13.675 bonds (distance) P-C4' energy: -15.496 flat angles C4'-P-C4' energy: -21.074 flat angles P-C4'-P energy: -14.332 tors. eta vs tors. theta energy: -17.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -150.695790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.695790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.695790 (E_RNA) where: Base-Base interactions energy: -72.556 where: short stacking energy: -72.556 Base-Backbone interact. energy: -0.048 local terms energy: -78.091918 where: bonds (distance) C4'-P energy: -19.093 bonds (distance) P-C4' energy: -18.239 flat angles C4'-P-C4' energy: -15.520 flat angles P-C4'-P energy: -14.622 tors. eta vs tors. theta energy: -10.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -150.486085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.486085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.486085 (E_RNA) where: Base-Base interactions energy: -75.965 where: short stacking energy: -75.965 Base-Backbone interact. energy: -0.017 local terms energy: -74.504480 where: bonds (distance) C4'-P energy: -13.487 bonds (distance) P-C4' energy: -17.426 flat angles C4'-P-C4' energy: -16.614 flat angles P-C4'-P energy: -12.790 tors. eta vs tors. theta energy: -14.187 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: 4 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -147.665924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.665924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.665924 (E_RNA) where: Base-Base interactions energy: -70.961 where: short stacking energy: -70.836 Base-Backbone interact. energy: -0.099 local terms energy: -76.605636 where: bonds (distance) C4'-P energy: -11.104 bonds (distance) P-C4' energy: -18.234 flat angles C4'-P-C4' energy: -15.824 flat angles P-C4'-P energy: -13.643 tors. eta vs tors. theta energy: -17.800 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: 9, replica: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -111.779139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.779139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.779139 (E_RNA) where: Base-Base interactions energy: -51.892 where: short stacking energy: -53.392 Base-Backbone interact. energy: -0.011 local terms energy: -59.876572 where: bonds (distance) C4'-P energy: -15.789 bonds (distance) P-C4' energy: -13.974 flat angles C4'-P-C4' energy: -19.025 flat angles P-C4'-P energy: -9.177 tors. eta vs tors. theta energy: -1.912 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: 10, replica: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -112.396981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.396981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.396981 (E_RNA) where: Base-Base interactions energy: -57.695 where: short stacking energy: -57.695 Base-Backbone interact. energy: -0.552 local terms energy: -54.149780 where: bonds (distance) C4'-P energy: -9.371 bonds (distance) P-C4' energy: -11.797 flat angles C4'-P-C4' energy: -20.045 flat angles P-C4'-P energy: -6.187 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: 1, replica: 8 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -231.010240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.010240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.010240 (E_RNA) where: Base-Base interactions energy: -124.982 where: short stacking energy: -124.982 Base-Backbone interact. energy: -0.000 local terms energy: -106.028090 where: bonds (distance) C4'-P energy: -18.356 bonds (distance) P-C4' energy: -19.759 flat angles C4'-P-C4' energy: -21.000 flat angles P-C4'-P energy: -15.715 tors. eta vs tors. theta energy: -31.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -195.875126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.875126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.875126 (E_RNA) where: Base-Base interactions energy: -98.878 where: short stacking energy: -99.578 Base-Backbone interact. energy: -0.106 local terms energy: -96.891423 where: bonds (distance) C4'-P energy: -20.525 bonds (distance) P-C4' energy: -21.497 flat angles C4'-P-C4' energy: -18.365 flat angles P-C4'-P energy: -13.787 tors. eta vs tors. theta energy: -22.718 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: 2 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -191.488707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.488707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.488707 (E_RNA) where: Base-Base interactions energy: -104.626 where: short stacking energy: -104.626 Base-Backbone interact. energy: -0.004 local terms energy: -86.858944 where: bonds (distance) C4'-P energy: -16.271 bonds (distance) P-C4' energy: -16.607 flat angles C4'-P-C4' energy: -18.120 flat angles P-C4'-P energy: -12.683 tors. eta vs tors. theta energy: -23.178 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: 5 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -162.705357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.705357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.705357 (E_RNA) where: Base-Base interactions energy: -78.469 where: short stacking energy: -78.469 Base-Backbone interact. energy: -0.137 local terms energy: -84.098997 where: bonds (distance) C4'-P energy: -20.769 bonds (distance) P-C4' energy: -19.301 flat angles C4'-P-C4' energy: -14.933 flat angles P-C4'-P energy: -14.573 tors. eta vs tors. theta energy: -14.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -165.637098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.637098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.637098 (E_RNA) where: Base-Base interactions energy: -82.720 where: short stacking energy: -82.720 Base-Backbone interact. energy: -0.036 local terms energy: -82.881057 where: bonds (distance) C4'-P energy: -14.105 bonds (distance) P-C4' energy: -16.769 flat angles C4'-P-C4' energy: -18.022 flat angles P-C4'-P energy: -15.947 tors. eta vs tors. theta energy: -18.039 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: 312 Temperature: 1.150000 Total energy: -155.643812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.643812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.643812 (E_RNA) where: Base-Base interactions energy: -76.181 where: short stacking energy: -76.181 Base-Backbone interact. energy: -0.032 local terms energy: -79.430655 where: bonds (distance) C4'-P energy: -18.787 bonds (distance) P-C4' energy: -16.204 flat angles C4'-P-C4' energy: -16.498 flat angles P-C4'-P energy: -10.100 tors. eta vs tors. theta energy: -17.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -164.366240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.366240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.366240 (E_RNA) where: Base-Base interactions energy: -90.292 where: short stacking energy: -88.345 Base-Backbone interact. energy: -0.111 local terms energy: -73.963262 where: bonds (distance) C4'-P energy: -9.343 bonds (distance) P-C4' energy: -14.734 flat angles C4'-P-C4' energy: -20.020 flat angles P-C4'-P energy: -10.679 tors. eta vs tors. theta energy: -19.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -140.308311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.308311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.308311 (E_RNA) where: Base-Base interactions energy: -72.071 where: short stacking energy: -72.071 Base-Backbone interact. energy: -0.085 local terms energy: -68.151582 where: bonds (distance) C4'-P energy: -12.311 bonds (distance) P-C4' energy: -18.703 flat angles C4'-P-C4' energy: -16.176 flat angles P-C4'-P energy: -5.832 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: 9, replica: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -126.275636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.275636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.275636 (E_RNA) where: Base-Base interactions energy: -61.081 where: short stacking energy: -61.081 Base-Backbone interact. energy: -0.007 local terms energy: -65.187829 where: bonds (distance) C4'-P energy: -14.513 bonds (distance) P-C4' energy: -9.421 flat angles C4'-P-C4' energy: -21.350 flat angles P-C4'-P energy: -10.358 tors. eta vs tors. theta energy: -9.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -137.698984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.698984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.698984 (E_RNA) where: Base-Base interactions energy: -73.681 where: short stacking energy: -73.681 Base-Backbone interact. energy: 1.995 local terms energy: -66.012909 where: bonds (distance) C4'-P energy: -9.580 bonds (distance) P-C4' energy: -17.090 flat angles C4'-P-C4' energy: -19.445 flat angles P-C4'-P energy: -7.345 tors. eta vs tors. theta energy: -12.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -227.458178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.458178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.458178 (E_RNA) where: Base-Base interactions energy: -127.590 where: short stacking energy: -127.590 Base-Backbone interact. energy: -0.000 local terms energy: -99.868338 where: bonds (distance) C4'-P energy: -17.752 bonds (distance) P-C4' energy: -18.603 flat angles C4'-P-C4' energy: -19.516 flat angles P-C4'-P energy: -14.090 tors. eta vs tors. theta energy: -29.907 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: 2 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -202.380581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.380581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.380581 (E_RNA) where: Base-Base interactions energy: -107.926 where: short stacking energy: -107.926 Base-Backbone interact. energy: -0.056 local terms energy: -94.399317 where: bonds (distance) C4'-P energy: -21.216 bonds (distance) P-C4' energy: -15.184 flat angles C4'-P-C4' energy: -23.107 flat angles P-C4'-P energy: -11.290 tors. eta vs tors. theta energy: -23.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -201.581427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.581427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.581427 (E_RNA) where: Base-Base interactions energy: -107.163 where: short stacking energy: -107.163 Base-Backbone interact. energy: -0.000 local terms energy: -94.418166 where: bonds (distance) C4'-P energy: -13.977 bonds (distance) P-C4' energy: -20.754 flat angles C4'-P-C4' energy: -21.212 flat angles P-C4'-P energy: -12.162 tors. eta vs tors. theta energy: -26.313 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: 5 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -179.109014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.109014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.109014 (E_RNA) where: Base-Base interactions energy: -96.508 where: short stacking energy: -96.508 Base-Backbone interact. energy: -0.001 local terms energy: -82.600056 where: bonds (distance) C4'-P energy: -13.687 bonds (distance) P-C4' energy: -17.358 flat angles C4'-P-C4' energy: -17.503 flat angles P-C4'-P energy: -10.924 tors. eta vs tors. theta energy: -23.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -162.118011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.118011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.118011 (E_RNA) where: Base-Base interactions energy: -83.326 where: short stacking energy: -83.326 Base-Backbone interact. energy: 1.764 local terms energy: -80.555959 where: bonds (distance) C4'-P energy: -13.656 bonds (distance) P-C4' energy: -16.372 flat angles C4'-P-C4' energy: -20.894 flat angles P-C4'-P energy: -15.169 tors. eta vs tors. theta energy: -14.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -164.217925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.217925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.217925 (E_RNA) where: Base-Base interactions energy: -92.802 where: short stacking energy: -92.802 Base-Backbone interact. energy: -0.001 local terms energy: -71.414474 where: bonds (distance) C4'-P energy: -15.864 bonds (distance) P-C4' energy: -19.099 flat angles C4'-P-C4' energy: -11.467 flat angles P-C4'-P energy: -9.528 tors. eta vs tors. theta energy: -15.456 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: 3 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -134.261503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.261503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.261503 (E_RNA) where: Base-Base interactions energy: -63.122 where: short stacking energy: -62.705 Base-Backbone interact. energy: -0.188 local terms energy: -70.951911 where: bonds (distance) C4'-P energy: -10.784 bonds (distance) P-C4' energy: -17.022 flat angles C4'-P-C4' energy: -18.815 flat angles P-C4'-P energy: -11.532 tors. eta vs tors. theta energy: -12.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -127.577308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.577308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.577308 (E_RNA) where: Base-Base interactions energy: -65.525 where: short stacking energy: -61.573 Base-Backbone interact. energy: 1.599 local terms energy: -63.651665 where: bonds (distance) C4'-P energy: -15.943 bonds (distance) P-C4' energy: -20.853 flat angles C4'-P-C4' energy: -14.304 flat angles P-C4'-P energy: -6.204 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: 9, replica: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -129.563198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.563198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.563198 (E_RNA) where: Base-Base interactions energy: -65.378 where: short stacking energy: -65.378 Base-Backbone interact. energy: -0.086 local terms energy: -64.098985 where: bonds (distance) C4'-P energy: -19.606 bonds (distance) P-C4' energy: -13.850 flat angles C4'-P-C4' energy: -14.953 flat angles P-C4'-P energy: -2.502 tors. eta vs tors. theta energy: -13.188 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: 7 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -98.913758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.913758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.913758 (E_RNA) where: Base-Base interactions energy: -46.064 where: short stacking energy: -44.141 Base-Backbone interact. energy: 1.396 local terms energy: -54.245329 where: bonds (distance) C4'-P energy: -14.461 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -9.069 flat angles P-C4'-P energy: -13.433 tors. eta vs tors. theta energy: -1.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -220.588706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.588706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.588706 (E_RNA) where: Base-Base interactions energy: -122.881 where: short stacking energy: -122.881 Base-Backbone interact. energy: -0.002 local terms energy: -97.705568 where: bonds (distance) C4'-P energy: -18.277 bonds (distance) P-C4' energy: -18.104 flat angles C4'-P-C4' energy: -20.880 flat angles P-C4'-P energy: -11.332 tors. eta vs tors. theta energy: -29.112 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: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -196.069309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.069309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.069309 (E_RNA) where: Base-Base interactions energy: -105.191 where: short stacking energy: -105.191 Base-Backbone interact. energy: -0.000 local terms energy: -90.877746 where: bonds (distance) C4'-P energy: -19.117 bonds (distance) P-C4' energy: -19.738 flat angles C4'-P-C4' energy: -18.988 flat angles P-C4'-P energy: -10.178 tors. eta vs tors. theta energy: -22.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -186.164732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.164732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.164732 (E_RNA) where: Base-Base interactions energy: -99.907 where: short stacking energy: -99.767 Base-Backbone interact. energy: -0.039 local terms energy: -86.218135 where: bonds (distance) C4'-P energy: -19.711 bonds (distance) P-C4' energy: -18.089 flat angles C4'-P-C4' energy: -18.701 flat angles P-C4'-P energy: -12.222 tors. eta vs tors. theta energy: -17.495 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: 6 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -181.819408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.819408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.819408 (E_RNA) where: Base-Base interactions energy: -98.428 where: short stacking energy: -98.428 Base-Backbone interact. energy: -0.096 local terms energy: -83.296109 where: bonds (distance) C4'-P energy: -17.921 bonds (distance) P-C4' energy: -18.453 flat angles C4'-P-C4' energy: -17.099 flat angles P-C4'-P energy: -8.515 tors. eta vs tors. theta energy: -21.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -168.881454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.881454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.881454 (E_RNA) where: Base-Base interactions energy: -85.414 where: short stacking energy: -85.414 Base-Backbone interact. energy: -0.070 local terms energy: -83.397893 where: bonds (distance) C4'-P energy: -15.285 bonds (distance) P-C4' energy: -19.993 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -14.992 tors. eta vs tors. theta energy: -20.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -156.821896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.821896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.821896 (E_RNA) where: Base-Base interactions energy: -75.085 where: short stacking energy: -75.085 Base-Backbone interact. energy: -0.100 local terms energy: -81.636248 where: bonds (distance) C4'-P energy: -13.554 bonds (distance) P-C4' energy: -16.608 flat angles C4'-P-C4' energy: -19.135 flat angles P-C4'-P energy: -16.252 tors. eta vs tors. theta energy: -16.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -134.117498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.117498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.117498 (E_RNA) where: Base-Base interactions energy: -65.059 where: short stacking energy: -56.437 Base-Backbone interact. energy: -0.146 local terms energy: -68.912951 where: bonds (distance) C4'-P energy: -18.479 bonds (distance) P-C4' energy: -19.342 flat angles C4'-P-C4' energy: -16.177 flat angles P-C4'-P energy: -10.199 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: 8, replica: 3 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -141.849958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.849958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.849958 (E_RNA) where: Base-Base interactions energy: -70.252 where: short stacking energy: -69.501 Base-Backbone interact. energy: -0.215 local terms energy: -71.382759 where: bonds (distance) C4'-P energy: -16.411 bonds (distance) P-C4' energy: -16.953 flat angles C4'-P-C4' energy: -16.866 flat angles P-C4'-P energy: -10.033 tors. eta vs tors. theta energy: -11.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -133.440114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.440114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.440114 (E_RNA) where: Base-Base interactions energy: -65.220 where: short stacking energy: -65.520 Base-Backbone interact. energy: -0.286 local terms energy: -67.934354 where: bonds (distance) C4'-P energy: -14.043 bonds (distance) P-C4' energy: -13.420 flat angles C4'-P-C4' energy: -14.732 flat angles P-C4'-P energy: -11.983 tors. eta vs tors. theta energy: -13.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -105.270458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.270458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.270458 (E_RNA) where: Base-Base interactions energy: -49.477 where: short stacking energy: -44.660 Base-Backbone interact. energy: -0.410 local terms energy: -55.383001 where: bonds (distance) C4'-P energy: -11.803 bonds (distance) P-C4' energy: -18.442 flat angles C4'-P-C4' energy: -12.402 flat angles P-C4'-P energy: -9.877 tors. eta vs tors. theta energy: -2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -225.326380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.326380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.326380 (E_RNA) where: Base-Base interactions energy: -124.194 where: short stacking energy: -124.194 Base-Backbone interact. energy: -0.000 local terms energy: -101.132083 where: bonds (distance) C4'-P energy: -16.451 bonds (distance) P-C4' energy: -19.507 flat angles C4'-P-C4' energy: -21.681 flat angles P-C4'-P energy: -12.918 tors. eta vs tors. theta energy: -30.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -201.347854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.347854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.347854 (E_RNA) where: Base-Base interactions energy: -107.943 where: short stacking energy: -107.943 Base-Backbone interact. energy: -0.010 local terms energy: -93.395210 where: bonds (distance) C4'-P energy: -21.465 bonds (distance) P-C4' energy: -19.248 flat angles C4'-P-C4' energy: -17.957 flat angles P-C4'-P energy: -12.959 tors. eta vs tors. theta energy: -21.766 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: 5 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -206.366963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.366963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.366963 (E_RNA) where: Base-Base interactions energy: -113.519 where: short stacking energy: -113.519 Base-Backbone interact. energy: -0.000 local terms energy: -92.848090 where: bonds (distance) C4'-P energy: -17.165 bonds (distance) P-C4' energy: -17.302 flat angles C4'-P-C4' energy: -21.045 flat angles P-C4'-P energy: -10.147 tors. eta vs tors. theta energy: -27.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -182.593662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.593662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.593662 (E_RNA) where: Base-Base interactions energy: -94.740 where: short stacking energy: -94.177 Base-Backbone interact. energy: -0.026 local terms energy: -87.827441 where: bonds (distance) C4'-P energy: -18.210 bonds (distance) P-C4' energy: -20.448 flat angles C4'-P-C4' energy: -19.193 flat angles P-C4'-P energy: -10.252 tors. eta vs tors. theta energy: -19.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -152.057618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.057618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.057618 (E_RNA) where: Base-Base interactions energy: -68.839 where: short stacking energy: -68.839 Base-Backbone interact. energy: -0.127 local terms energy: -83.091062 where: bonds (distance) C4'-P energy: -16.826 bonds (distance) P-C4' energy: -16.761 flat angles C4'-P-C4' energy: -22.306 flat angles P-C4'-P energy: -10.471 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: 1 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -165.428869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.428869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.428869 (E_RNA) where: Base-Base interactions energy: -80.947 where: short stacking energy: -81.647 Base-Backbone interact. energy: -0.013 local terms energy: -84.467971 where: bonds (distance) C4'-P energy: -16.634 bonds (distance) P-C4' energy: -17.573 flat angles C4'-P-C4' energy: -20.155 flat angles P-C4'-P energy: -12.246 tors. eta vs tors. theta energy: -17.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -132.074405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.074405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.074405 (E_RNA) where: Base-Base interactions energy: -72.994 where: short stacking energy: -71.965 Base-Backbone interact. energy: -0.054 local terms energy: -59.026250 where: bonds (distance) C4'-P energy: -16.254 bonds (distance) P-C4' energy: -10.031 flat angles C4'-P-C4' energy: -10.444 flat angles P-C4'-P energy: -12.908 tors. eta vs tors. theta energy: -9.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -124.932364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.932364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.932364 (E_RNA) where: Base-Base interactions energy: -64.941 where: short stacking energy: -64.941 Base-Backbone interact. energy: -0.269 local terms energy: -59.721432 where: bonds (distance) C4'-P energy: -18.091 bonds (distance) P-C4' energy: -14.749 flat angles C4'-P-C4' energy: -12.474 flat angles P-C4'-P energy: -10.960 tors. eta vs tors. theta energy: -3.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -113.420494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.420494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.420494 (E_RNA) where: Base-Base interactions energy: -50.640 where: short stacking energy: -50.640 Base-Backbone interact. energy: -0.205 local terms energy: -62.575936 where: bonds (distance) C4'-P energy: -18.610 bonds (distance) P-C4' energy: -14.912 flat angles C4'-P-C4' energy: -16.759 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -1.858 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: 10, replica: 10 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -136.201034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.201034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.201034 (E_RNA) where: Base-Base interactions energy: -72.721 where: short stacking energy: -72.721 Base-Backbone interact. energy: -0.010 local terms energy: -63.469762 where: bonds (distance) C4'-P energy: -8.753 bonds (distance) P-C4' energy: -15.426 flat angles C4'-P-C4' energy: -17.370 flat angles P-C4'-P energy: -8.073 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: 1, replica: 8 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -206.080332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.080332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.080332 (E_RNA) where: Base-Base interactions energy: -113.210 where: short stacking energy: -113.210 Base-Backbone interact. energy: 0.528 local terms energy: -93.398321 where: bonds (distance) C4'-P energy: -14.671 bonds (distance) P-C4' energy: -16.529 flat angles C4'-P-C4' energy: -21.374 flat angles P-C4'-P energy: -16.193 tors. eta vs tors. theta energy: -24.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -209.321495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.321495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.321495 (E_RNA) where: Base-Base interactions energy: -114.105 where: short stacking energy: -114.105 Base-Backbone interact. energy: -0.000 local terms energy: -95.215932 where: bonds (distance) C4'-P energy: -16.853 bonds (distance) P-C4' energy: -16.448 flat angles C4'-P-C4' energy: -18.533 flat angles P-C4'-P energy: -16.863 tors. eta vs tors. theta energy: -26.518 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: 316 Temperature: 1.000000 Total energy: -194.273883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.273883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.273883 (E_RNA) where: Base-Base interactions energy: -101.457 where: short stacking energy: -101.457 Base-Backbone interact. energy: -0.482 local terms energy: -92.334307 where: bonds (distance) C4'-P energy: -19.225 bonds (distance) P-C4' energy: -14.332 flat angles C4'-P-C4' energy: -19.964 flat angles P-C4'-P energy: -13.389 tors. eta vs tors. theta energy: -25.424 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: 6 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -222.549342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.549342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.549342 (E_RNA) where: Base-Base interactions energy: -126.078 where: short stacking energy: -126.078 Base-Backbone interact. energy: -0.000 local terms energy: -96.471150 where: bonds (distance) C4'-P energy: -16.133 bonds (distance) P-C4' energy: -18.818 flat angles C4'-P-C4' energy: -19.168 flat angles P-C4'-P energy: -12.404 tors. eta vs tors. theta energy: -29.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -153.915187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.915187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.915187 (E_RNA) where: Base-Base interactions energy: -82.693 where: short stacking energy: -81.891 Base-Backbone interact. energy: -0.225 local terms energy: -70.997377 where: bonds (distance) C4'-P energy: -16.659 bonds (distance) P-C4' energy: -18.974 flat angles C4'-P-C4' energy: -15.113 flat angles P-C4'-P energy: -9.475 tors. eta vs tors. theta energy: -10.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -165.394882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.394882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.394882 (E_RNA) where: Base-Base interactions energy: -91.536 where: short stacking energy: -91.536 Base-Backbone interact. energy: -0.001 local terms energy: -73.857218 where: bonds (distance) C4'-P energy: -15.971 bonds (distance) P-C4' energy: -16.378 flat angles C4'-P-C4' energy: -16.207 flat angles P-C4'-P energy: -8.288 tors. eta vs tors. theta energy: -17.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -162.628007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.628007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.628007 (E_RNA) where: Base-Base interactions energy: -84.783 where: short stacking energy: -84.783 Base-Backbone interact. energy: -0.004 local terms energy: -77.841265 where: bonds (distance) C4'-P energy: -17.280 bonds (distance) P-C4' energy: -19.820 flat angles C4'-P-C4' energy: -14.780 flat angles P-C4'-P energy: -8.891 tors. eta vs tors. theta energy: -17.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -124.461402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.461402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.461402 (E_RNA) where: Base-Base interactions energy: -61.485 where: short stacking energy: -60.374 Base-Backbone interact. energy: 1.523 local terms energy: -64.500084 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -16.111 flat angles C4'-P-C4' energy: -16.797 flat angles P-C4'-P energy: -8.501 tors. eta vs tors. theta energy: -8.696 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: 9, replica: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -112.617006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.617006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.617006 (E_RNA) where: Base-Base interactions energy: -55.621 where: short stacking energy: -55.621 Base-Backbone interact. energy: -0.358 local terms energy: -56.637620 where: bonds (distance) C4'-P energy: -15.090 bonds (distance) P-C4' energy: -9.225 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -17.119 tors. eta vs tors. theta energy: -8.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -123.245890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.245890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.245890 (E_RNA) where: Base-Base interactions energy: -58.355 where: short stacking energy: -58.355 Base-Backbone interact. energy: 1.811 local terms energy: -66.702402 where: bonds (distance) C4'-P energy: -13.365 bonds (distance) P-C4' energy: -14.579 flat angles C4'-P-C4' energy: -18.418 flat angles P-C4'-P energy: -12.911 tors. eta vs tors. theta energy: -7.429 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: 1, replica: 8 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -213.326490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.326490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.326490 (E_RNA) where: Base-Base interactions energy: -112.503 where: short stacking energy: -112.503 Base-Backbone interact. energy: -0.026 local terms energy: -100.797916 where: bonds (distance) C4'-P energy: -20.285 bonds (distance) P-C4' energy: -21.693 flat angles C4'-P-C4' energy: -21.487 flat angles P-C4'-P energy: -15.475 tors. eta vs tors. theta energy: -21.857 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: 317 Temperature: 0.950000 Total energy: -214.542143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.542143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.542143 (E_RNA) where: Base-Base interactions energy: -116.711 where: short stacking energy: -116.711 Base-Backbone interact. energy: -0.000 local terms energy: -97.831111 where: bonds (distance) C4'-P energy: -17.053 bonds (distance) P-C4' energy: -19.535 flat angles C4'-P-C4' energy: -19.637 flat angles P-C4'-P energy: -13.198 tors. eta vs tors. theta energy: -28.409 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: 5 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -183.645936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.645936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.645936 (E_RNA) where: Base-Base interactions energy: -88.582 where: short stacking energy: -88.582 Base-Backbone interact. energy: -0.050 local terms energy: -95.013967 where: bonds (distance) C4'-P energy: -18.149 bonds (distance) P-C4' energy: -19.513 flat angles C4'-P-C4' energy: -19.360 flat angles P-C4'-P energy: -15.687 tors. eta vs tors. theta energy: -22.305 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: 6 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -191.754858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.754858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.754858 (E_RNA) where: Base-Base interactions energy: -102.296 where: short stacking energy: -102.296 Base-Backbone interact. energy: -0.002 local terms energy: -89.456647 where: bonds (distance) C4'-P energy: -18.601 bonds (distance) P-C4' energy: -19.688 flat angles C4'-P-C4' energy: -17.200 flat angles P-C4'-P energy: -10.844 tors. eta vs tors. theta energy: -23.123 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: 5, replica: 1 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -182.538859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.538859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.538859 (E_RNA) where: Base-Base interactions energy: -93.641 where: short stacking energy: -93.641 Base-Backbone interact. energy: -0.012 local terms energy: -88.886504 where: bonds (distance) C4'-P energy: -19.946 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -20.317 flat angles P-C4'-P energy: -9.702 tors. eta vs tors. theta energy: -21.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -152.957415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.957415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.957415 (E_RNA) where: Base-Base interactions energy: -74.114 where: short stacking energy: -74.114 Base-Backbone interact. energy: -0.349 local terms energy: -78.494173 where: bonds (distance) C4'-P energy: -15.269 bonds (distance) P-C4' energy: -20.284 flat angles C4'-P-C4' energy: -18.223 flat angles P-C4'-P energy: -9.084 tors. eta vs tors. theta energy: -15.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -172.696372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.696372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.696372 (E_RNA) where: Base-Base interactions energy: -95.963 where: short stacking energy: -95.963 Base-Backbone interact. energy: -0.001 local terms energy: -76.732648 where: bonds (distance) C4'-P energy: -17.022 bonds (distance) P-C4' energy: -10.476 flat angles C4'-P-C4' energy: -19.973 flat angles P-C4'-P energy: -7.850 tors. eta vs tors. theta energy: -21.411 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: 10 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -147.198170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.198170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.198170 (E_RNA) where: Base-Base interactions energy: -77.256 where: short stacking energy: -77.256 Base-Backbone interact. energy: -0.100 local terms energy: -69.841872 where: bonds (distance) C4'-P energy: -14.113 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -16.925 flat angles P-C4'-P energy: -8.358 tors. eta vs tors. theta energy: -15.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -117.303995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.303995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.303995 (E_RNA) where: Base-Base interactions energy: -58.480 where: short stacking energy: -57.613 Base-Backbone interact. energy: 0.464 local terms energy: -59.288074 where: bonds (distance) C4'-P energy: -13.756 bonds (distance) P-C4' energy: -17.772 flat angles C4'-P-C4' energy: -15.364 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -7.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -113.250449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.250449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.250449 (E_RNA) where: Base-Base interactions energy: -48.050 where: short stacking energy: -48.050 Base-Backbone interact. energy: -0.203 local terms energy: -64.997133 where: bonds (distance) C4'-P energy: -17.649 bonds (distance) P-C4' energy: -17.275 flat angles C4'-P-C4' energy: -14.818 flat angles P-C4'-P energy: -8.837 tors. eta vs tors. theta energy: -6.419 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: 1, replica: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -221.172653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.172653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.172653 (E_RNA) where: Base-Base interactions energy: -121.767 where: short stacking energy: -121.767 Base-Backbone interact. energy: -0.000 local terms energy: -99.405518 where: bonds (distance) C4'-P energy: -14.344 bonds (distance) P-C4' energy: -17.064 flat angles C4'-P-C4' energy: -22.880 flat angles P-C4'-P energy: -15.638 tors. eta vs tors. theta energy: -29.479 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: 318 Temperature: 0.950000 Total energy: -201.489306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.489306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.489306 (E_RNA) where: Base-Base interactions energy: -109.984 where: short stacking energy: -109.984 Base-Backbone interact. energy: -0.030 local terms energy: -91.475615 where: bonds (distance) C4'-P energy: -19.810 bonds (distance) P-C4' energy: -17.460 flat angles C4'-P-C4' energy: -18.324 flat angles P-C4'-P energy: -11.343 tors. eta vs tors. theta energy: -24.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -203.310751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.310751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.310751 (E_RNA) where: Base-Base interactions energy: -111.308 where: short stacking energy: -111.308 Base-Backbone interact. energy: -0.039 local terms energy: -91.963720 where: bonds (distance) C4'-P energy: -13.921 bonds (distance) P-C4' energy: -18.602 flat angles C4'-P-C4' energy: -18.874 flat angles P-C4'-P energy: -14.753 tors. eta vs tors. theta energy: -25.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -171.516640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.516640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.516640 (E_RNA) where: Base-Base interactions energy: -90.574 where: short stacking energy: -90.574 Base-Backbone interact. energy: -0.100 local terms energy: -80.842437 where: bonds (distance) C4'-P energy: -16.904 bonds (distance) P-C4' energy: -14.866 flat angles C4'-P-C4' energy: -18.599 flat angles P-C4'-P energy: -12.973 tors. eta vs tors. theta energy: -17.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -171.051925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.051925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.051925 (E_RNA) where: Base-Base interactions energy: -92.500 where: short stacking energy: -92.500 Base-Backbone interact. energy: -0.005 local terms energy: -78.546730 where: bonds (distance) C4'-P energy: -13.834 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -19.731 flat angles P-C4'-P energy: -11.535 tors. eta vs tors. theta energy: -20.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -153.797110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.797110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.797110 (E_RNA) where: Base-Base interactions energy: -79.980 where: short stacking energy: -79.980 Base-Backbone interact. energy: -0.096 local terms energy: -73.721431 where: bonds (distance) C4'-P energy: -18.396 bonds (distance) P-C4' energy: -17.622 flat angles C4'-P-C4' energy: -15.138 flat angles P-C4'-P energy: -11.645 tors. eta vs tors. theta energy: -10.920 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: 10 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -146.207236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.207236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.207236 (E_RNA) where: Base-Base interactions energy: -72.031 where: short stacking energy: -71.897 Base-Backbone interact. energy: -0.230 local terms energy: -73.945715 where: bonds (distance) C4'-P energy: -17.001 bonds (distance) P-C4' energy: -13.395 flat angles C4'-P-C4' energy: -19.257 flat angles P-C4'-P energy: -10.523 tors. eta vs tors. theta energy: -13.770 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: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -134.396275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.396275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.396275 (E_RNA) where: Base-Base interactions energy: -74.859 where: short stacking energy: -72.369 Base-Backbone interact. energy: -0.037 local terms energy: -59.500485 where: bonds (distance) C4'-P energy: -13.739 bonds (distance) P-C4' energy: -16.479 flat angles C4'-P-C4' energy: -12.108 flat angles P-C4'-P energy: -6.367 tors. eta vs tors. theta energy: -10.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -105.480151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.480151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.480151 (E_RNA) where: Base-Base interactions energy: -50.253 where: short stacking energy: -50.253 Base-Backbone interact. energy: 1.629 local terms energy: -56.855691 where: bonds (distance) C4'-P energy: -12.059 bonds (distance) P-C4' energy: -17.510 flat angles C4'-P-C4' energy: -16.464 flat angles P-C4'-P energy: -7.883 tors. eta vs tors. theta energy: -2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -99.149430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.149430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.149430 (E_RNA) where: Base-Base interactions energy: -45.433 where: short stacking energy: -40.854 Base-Backbone interact. energy: -0.523 local terms energy: -53.193425 where: bonds (distance) C4'-P energy: -11.223 bonds (distance) P-C4' energy: -17.728 flat angles C4'-P-C4' energy: -14.509 flat angles P-C4'-P energy: -9.330 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: 1, replica: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -229.913577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.913577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.913577 (E_RNA) where: Base-Base interactions energy: -128.200 where: short stacking energy: -128.200 Base-Backbone interact. energy: -0.000 local terms energy: -101.713923 where: bonds (distance) C4'-P energy: -13.306 bonds (distance) P-C4' energy: -22.036 flat angles C4'-P-C4' energy: -23.207 flat angles P-C4'-P energy: -12.476 tors. eta vs tors. theta energy: -30.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -196.293519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.293519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.293519 (E_RNA) where: Base-Base interactions energy: -108.895 where: short stacking energy: -108.895 Base-Backbone interact. energy: -0.013 local terms energy: -87.385861 where: bonds (distance) C4'-P energy: -14.796 bonds (distance) P-C4' energy: -19.467 flat angles C4'-P-C4' energy: -18.392 flat angles P-C4'-P energy: -13.219 tors. eta vs tors. theta energy: -21.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -199.030993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.030993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.030993 (E_RNA) where: Base-Base interactions energy: -106.841 where: short stacking energy: -106.841 Base-Backbone interact. energy: -0.002 local terms energy: -92.188358 where: bonds (distance) C4'-P energy: -16.107 bonds (distance) P-C4' energy: -21.560 flat angles C4'-P-C4' energy: -17.249 flat angles P-C4'-P energy: -14.853 tors. eta vs tors. theta energy: -22.419 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: 5 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -162.106538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.106538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.106538 (E_RNA) where: Base-Base interactions energy: -74.716 where: short stacking energy: -74.716 Base-Backbone interact. energy: -0.894 local terms energy: -86.495879 where: bonds (distance) C4'-P energy: -18.038 bonds (distance) P-C4' energy: -19.218 flat angles C4'-P-C4' energy: -17.698 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -23.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -163.901697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.901697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.901697 (E_RNA) where: Base-Base interactions energy: -82.628 where: short stacking energy: -82.628 Base-Backbone interact. energy: -0.129 local terms energy: -81.143959 where: bonds (distance) C4'-P energy: -16.162 bonds (distance) P-C4' energy: -19.365 flat angles C4'-P-C4' energy: -17.860 flat angles P-C4'-P energy: -9.400 tors. eta vs tors. theta energy: -18.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -145.657015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.657015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.657015 (E_RNA) where: Base-Base interactions energy: -78.997 where: short stacking energy: -78.997 Base-Backbone interact. energy: -0.049 local terms energy: -66.611201 where: bonds (distance) C4'-P energy: -10.532 bonds (distance) P-C4' energy: -16.752 flat angles C4'-P-C4' energy: -19.649 flat angles P-C4'-P energy: -7.281 tors. eta vs tors. theta energy: -12.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -148.161204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.161204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.161204 (E_RNA) where: Base-Base interactions energy: -73.168 where: short stacking energy: -73.168 Base-Backbone interact. energy: 0.014 local terms energy: -75.007551 where: bonds (distance) C4'-P energy: -14.270 bonds (distance) P-C4' energy: -21.464 flat angles C4'-P-C4' energy: -15.833 flat angles P-C4'-P energy: -7.597 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: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -137.487022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.487022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.487022 (E_RNA) where: Base-Base interactions energy: -65.710 where: short stacking energy: -65.710 Base-Backbone interact. energy: 0.145 local terms energy: -71.921445 where: bonds (distance) C4'-P energy: -12.225 bonds (distance) P-C4' energy: -19.776 flat angles C4'-P-C4' energy: -15.415 flat angles P-C4'-P energy: -9.521 tors. eta vs tors. theta energy: -14.984 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: 9, replica: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -112.033546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.033546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.033546 (E_RNA) where: Base-Base interactions energy: -53.794 where: short stacking energy: -51.402 Base-Backbone interact. energy: -0.672 local terms energy: -57.567811 where: bonds (distance) C4'-P energy: -16.862 bonds (distance) P-C4' energy: -11.714 flat angles C4'-P-C4' energy: -15.274 flat angles P-C4'-P energy: -7.033 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: 10, replica: 9 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -119.758162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.758162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.758162 (E_RNA) where: Base-Base interactions energy: -52.709 where: short stacking energy: -47.229 Base-Backbone interact. energy: -0.521 local terms energy: -66.527570 where: bonds (distance) C4'-P energy: -19.581 bonds (distance) P-C4' energy: -20.983 flat angles C4'-P-C4' energy: -16.235 flat angles P-C4'-P energy: -5.893 tors. eta vs tors. theta energy: -3.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -207.577413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.577413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.577413 (E_RNA) where: Base-Base interactions energy: -109.680 where: short stacking energy: -109.680 Base-Backbone interact. energy: -0.024 local terms energy: -97.873651 where: bonds (distance) C4'-P energy: -16.390 bonds (distance) P-C4' energy: -19.334 flat angles C4'-P-C4' energy: -20.932 flat angles P-C4'-P energy: -15.990 tors. eta vs tors. theta energy: -25.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -174.870711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.870711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.870711 (E_RNA) where: Base-Base interactions energy: -93.613 where: short stacking energy: -93.330 Base-Backbone interact. energy: -0.106 local terms energy: -81.151585 where: bonds (distance) C4'-P energy: -16.871 bonds (distance) P-C4' energy: -15.968 flat angles C4'-P-C4' energy: -16.849 flat angles P-C4'-P energy: -13.122 tors. eta vs tors. theta energy: -18.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -200.069201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.069201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.069201 (E_RNA) where: Base-Base interactions energy: -111.509 where: short stacking energy: -111.509 Base-Backbone interact. energy: -0.038 local terms energy: -88.522219 where: bonds (distance) C4'-P energy: -17.810 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -15.563 flat angles P-C4'-P energy: -13.768 tors. eta vs tors. theta energy: -25.905 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: 5 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -168.637447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.637447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.637447 (E_RNA) where: Base-Base interactions energy: -86.460 where: short stacking energy: -86.460 Base-Backbone interact. energy: -0.027 local terms energy: -82.149872 where: bonds (distance) C4'-P energy: -16.242 bonds (distance) P-C4' energy: -19.499 flat angles C4'-P-C4' energy: -15.924 flat angles P-C4'-P energy: -9.236 tors. eta vs tors. theta energy: -21.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -151.979809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.979809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.979809 (E_RNA) where: Base-Base interactions energy: -81.556 where: short stacking energy: -81.556 Base-Backbone interact. energy: -0.195 local terms energy: -70.228067 where: bonds (distance) C4'-P energy: -16.494 bonds (distance) P-C4' energy: -17.369 flat angles C4'-P-C4' energy: -11.936 flat angles P-C4'-P energy: -12.555 tors. eta vs tors. theta energy: -11.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -166.288294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.288294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.288294 (E_RNA) where: Base-Base interactions energy: -85.835 where: short stacking energy: -85.835 Base-Backbone interact. energy: 0.680 local terms energy: -81.133323 where: bonds (distance) C4'-P energy: -15.846 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -20.316 flat angles P-C4'-P energy: -12.913 tors. eta vs tors. theta energy: -17.043 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: 10 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -141.131510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.131510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.131510 (E_RNA) where: Base-Base interactions energy: -66.082 where: short stacking energy: -62.014 Base-Backbone interact. energy: -0.276 local terms energy: -74.773269 where: bonds (distance) C4'-P energy: -17.102 bonds (distance) P-C4' energy: -19.053 flat angles C4'-P-C4' energy: -18.337 flat angles P-C4'-P energy: -9.373 tors. eta vs tors. theta energy: -10.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -125.582452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.582452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.582452 (E_RNA) where: Base-Base interactions energy: -65.651 where: short stacking energy: -63.225 Base-Backbone interact. energy: 0.103 local terms energy: -60.034563 where: bonds (distance) C4'-P energy: -17.590 bonds (distance) P-C4' energy: -17.624 flat angles C4'-P-C4' energy: -11.951 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -3.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -119.003625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.003625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.003625 (E_RNA) where: Base-Base interactions energy: -55.841 where: short stacking energy: -55.841 Base-Backbone interact. energy: 0.045 local terms energy: -63.207188 where: bonds (distance) C4'-P energy: -16.369 bonds (distance) P-C4' energy: -14.719 flat angles C4'-P-C4' energy: -16.264 flat angles P-C4'-P energy: -9.322 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: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -114.653979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.653979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.653979 (E_RNA) where: Base-Base interactions energy: -50.872 where: short stacking energy: -49.358 Base-Backbone interact. energy: -0.261 local terms energy: -63.521170 where: bonds (distance) C4'-P energy: -15.664 bonds (distance) P-C4' energy: -16.150 flat angles C4'-P-C4' energy: -20.721 flat angles P-C4'-P energy: -8.612 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -217.426450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.426450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.426450 (E_RNA) where: Base-Base interactions energy: -117.944 where: short stacking energy: -117.944 Base-Backbone interact. energy: -0.001 local terms energy: -99.481282 where: bonds (distance) C4'-P energy: -18.212 bonds (distance) P-C4' energy: -18.339 flat angles C4'-P-C4' energy: -22.131 flat angles P-C4'-P energy: -11.713 tors. eta vs tors. theta energy: -29.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -190.781139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.781139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.781139 (E_RNA) where: Base-Base interactions energy: -96.848 where: short stacking energy: -96.848 Base-Backbone interact. energy: -0.101 local terms energy: -93.832358 where: bonds (distance) C4'-P energy: -20.050 bonds (distance) P-C4' energy: -19.921 flat angles C4'-P-C4' energy: -19.394 flat angles P-C4'-P energy: -14.611 tors. eta vs tors. theta energy: -19.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -188.387737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.387737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.387737 (E_RNA) where: Base-Base interactions energy: -101.029 where: short stacking energy: -101.029 Base-Backbone interact. energy: -0.252 local terms energy: -87.106617 where: bonds (distance) C4'-P energy: -19.056 bonds (distance) P-C4' energy: -17.517 flat angles C4'-P-C4' energy: -15.277 flat angles P-C4'-P energy: -13.232 tors. eta vs tors. theta energy: -22.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -180.004475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.004475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.004475 (E_RNA) where: Base-Base interactions energy: -92.665 where: short stacking energy: -92.665 Base-Backbone interact. energy: -0.020 local terms energy: -87.319432 where: bonds (distance) C4'-P energy: -16.638 bonds (distance) P-C4' energy: -19.998 flat angles C4'-P-C4' energy: -19.265 flat angles P-C4'-P energy: -13.961 tors. eta vs tors. theta energy: -17.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -140.531992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.531992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.531992 (E_RNA) where: Base-Base interactions energy: -68.045 where: short stacking energy: -68.045 Base-Backbone interact. energy: -0.171 local terms energy: -72.315483 where: bonds (distance) C4'-P energy: -14.912 bonds (distance) P-C4' energy: -17.702 flat angles C4'-P-C4' energy: -19.309 flat angles P-C4'-P energy: -9.235 tors. eta vs tors. theta energy: -11.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -166.111595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.111595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.111595 (E_RNA) where: Base-Base interactions energy: -81.901 where: short stacking energy: -81.901 Base-Backbone interact. energy: -0.020 local terms energy: -84.190423 where: bonds (distance) C4'-P energy: -15.773 bonds (distance) P-C4' energy: -21.697 flat angles C4'-P-C4' energy: -19.072 flat angles P-C4'-P energy: -11.009 tors. eta vs tors. theta energy: -16.639 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: 1 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -153.680797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.680797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.680797 (E_RNA) where: Base-Base interactions energy: -78.842 where: short stacking energy: -77.456 Base-Backbone interact. energy: -0.089 local terms energy: -74.749915 where: bonds (distance) C4'-P energy: -17.210 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -16.529 flat angles P-C4'-P energy: -11.541 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: 8, replica: 4 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -122.122561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.122561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.122561 (E_RNA) where: Base-Base interactions energy: -60.186 where: short stacking energy: -60.186 Base-Backbone interact. energy: -0.163 local terms energy: -61.773068 where: bonds (distance) C4'-P energy: -15.802 bonds (distance) P-C4' energy: -11.693 flat angles C4'-P-C4' energy: -12.601 flat angles P-C4'-P energy: -10.431 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: 9, replica: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -140.983086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.983086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.983086 (E_RNA) where: Base-Base interactions energy: -70.179 where: short stacking energy: -70.179 Base-Backbone interact. energy: -0.082 local terms energy: -70.722125 where: bonds (distance) C4'-P energy: -15.665 bonds (distance) P-C4' energy: -16.821 flat angles C4'-P-C4' energy: -16.409 flat angles P-C4'-P energy: -8.037 tors. eta vs tors. theta energy: -13.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -123.551452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.551452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.551452 (E_RNA) where: Base-Base interactions energy: -57.423 where: short stacking energy: -57.423 Base-Backbone interact. energy: -0.104 local terms energy: -66.024322 where: bonds (distance) C4'-P energy: -11.595 bonds (distance) P-C4' energy: -18.349 flat angles C4'-P-C4' energy: -18.184 flat angles P-C4'-P energy: -8.843 tors. eta vs tors. theta energy: -9.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -221.750444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.750444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.750444 (E_RNA) where: Base-Base interactions energy: -124.119 where: short stacking energy: -124.119 Base-Backbone interact. energy: -0.000 local terms energy: -97.630924 where: bonds (distance) C4'-P energy: -18.952 bonds (distance) P-C4' energy: -19.907 flat angles C4'-P-C4' energy: -18.098 flat angles P-C4'-P energy: -12.557 tors. eta vs tors. theta energy: -28.117 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: 322 Temperature: 0.950000 Total energy: -200.005613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.005613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.005613 (E_RNA) where: Base-Base interactions energy: -108.015 where: short stacking energy: -108.015 Base-Backbone interact. energy: -0.004 local terms energy: -91.986493 where: bonds (distance) C4'-P energy: -14.609 bonds (distance) P-C4' energy: -18.773 flat angles C4'-P-C4' energy: -20.502 flat angles P-C4'-P energy: -13.315 tors. eta vs tors. theta energy: -24.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -177.327464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.327464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.327464 (E_RNA) where: Base-Base interactions energy: -95.049 where: short stacking energy: -95.049 Base-Backbone interact. energy: -0.027 local terms energy: -82.252091 where: bonds (distance) C4'-P energy: -16.663 bonds (distance) P-C4' energy: -19.013 flat angles C4'-P-C4' energy: -16.599 flat angles P-C4'-P energy: -13.950 tors. eta vs tors. theta energy: -16.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -175.475680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.475680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.475680 (E_RNA) where: Base-Base interactions energy: -94.891 where: short stacking energy: -94.882 Base-Backbone interact. energy: -0.121 local terms energy: -80.464176 where: bonds (distance) C4'-P energy: -17.850 bonds (distance) P-C4' energy: -18.364 flat angles C4'-P-C4' energy: -15.207 flat angles P-C4'-P energy: -8.528 tors. eta vs tors. theta energy: -20.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -146.945469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.945469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.945469 (E_RNA) where: Base-Base interactions energy: -68.672 where: short stacking energy: -68.189 Base-Backbone interact. energy: -0.008 local terms energy: -78.265110 where: bonds (distance) C4'-P energy: -17.926 bonds (distance) P-C4' energy: -17.982 flat angles C4'-P-C4' energy: -16.518 flat angles P-C4'-P energy: -15.373 tors. eta vs tors. theta energy: -10.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -151.062542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.062542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.062542 (E_RNA) where: Base-Base interactions energy: -78.225 where: short stacking energy: -77.742 Base-Backbone interact. energy: -0.555 local terms energy: -72.282843 where: bonds (distance) C4'-P energy: -14.220 bonds (distance) P-C4' energy: -15.351 flat angles C4'-P-C4' energy: -15.827 flat angles P-C4'-P energy: -14.274 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: 7, replica: 4 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -144.570898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.570898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.570898 (E_RNA) where: Base-Base interactions energy: -70.743 where: short stacking energy: -70.524 Base-Backbone interact. energy: -0.346 local terms energy: -73.481790 where: bonds (distance) C4'-P energy: -16.263 bonds (distance) P-C4' energy: -17.746 flat angles C4'-P-C4' energy: -17.266 flat angles P-C4'-P energy: -10.638 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: 8, replica: 1 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -127.455257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.455257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.455257 (E_RNA) where: Base-Base interactions energy: -64.237 where: short stacking energy: -64.067 Base-Backbone interact. energy: -1.428 local terms energy: -61.791056 where: bonds (distance) C4'-P energy: -15.291 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -10.113 flat angles P-C4'-P energy: -10.216 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: 9, replica: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -129.754275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.754275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.754275 (E_RNA) where: Base-Base interactions energy: -68.476 where: short stacking energy: -68.476 Base-Backbone interact. energy: -0.160 local terms energy: -61.118414 where: bonds (distance) C4'-P energy: -10.002 bonds (distance) P-C4' energy: -19.277 flat angles C4'-P-C4' energy: -13.963 flat angles P-C4'-P energy: -4.939 tors. eta vs tors. theta energy: -12.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -136.410266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.410266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.410266 (E_RNA) where: Base-Base interactions energy: -64.696 where: short stacking energy: -64.696 Base-Backbone interact. energy: -0.063 local terms energy: -71.651662 where: bonds (distance) C4'-P energy: -16.845 bonds (distance) P-C4' energy: -13.781 flat angles C4'-P-C4' energy: -18.871 flat angles P-C4'-P energy: -13.959 tors. eta vs tors. theta energy: -8.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -211.611824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.611824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.611824 (E_RNA) where: Base-Base interactions energy: -111.893 where: short stacking energy: -111.893 Base-Backbone interact. energy: -0.002 local terms energy: -99.716999 where: bonds (distance) C4'-P energy: -17.901 bonds (distance) P-C4' energy: -19.485 flat angles C4'-P-C4' energy: -22.015 flat angles P-C4'-P energy: -16.370 tors. eta vs tors. theta energy: -23.946 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: 2, replica: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -214.867813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.867813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.867813 (E_RNA) where: Base-Base interactions energy: -116.594 where: short stacking energy: -116.594 Base-Backbone interact. energy: -0.000 local terms energy: -98.274028 where: bonds (distance) C4'-P energy: -17.234 bonds (distance) P-C4' energy: -20.619 flat angles C4'-P-C4' energy: -19.622 flat angles P-C4'-P energy: -12.356 tors. eta vs tors. theta energy: -28.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -171.923889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.923889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.923889 (E_RNA) where: Base-Base interactions energy: -86.735 where: short stacking energy: -86.735 Base-Backbone interact. energy: -0.050 local terms energy: -85.139472 where: bonds (distance) C4'-P energy: -19.896 bonds (distance) P-C4' energy: -18.748 flat angles C4'-P-C4' energy: -17.091 flat angles P-C4'-P energy: -12.392 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: 8 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -182.573904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.573904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.573904 (E_RNA) where: Base-Base interactions energy: -91.778 where: short stacking energy: -90.986 Base-Backbone interact. energy: -0.034 local terms energy: -90.761955 where: bonds (distance) C4'-P energy: -17.598 bonds (distance) P-C4' energy: -21.564 flat angles C4'-P-C4' energy: -19.018 flat angles P-C4'-P energy: -11.933 tors. eta vs tors. theta energy: -20.648 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: 5, replica: 10 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -139.699401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.699401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.699401 (E_RNA) where: Base-Base interactions energy: -78.487 where: short stacking energy: -79.187 Base-Backbone interact. energy: -0.139 local terms energy: -61.072913 where: bonds (distance) C4'-P energy: -12.358 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -15.537 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: -10.277 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: 4 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -147.583704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.583704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.583704 (E_RNA) where: Base-Base interactions energy: -68.263 where: short stacking energy: -68.263 Base-Backbone interact. energy: -0.134 local terms energy: -79.186551 where: bonds (distance) C4'-P energy: -13.893 bonds (distance) P-C4' energy: -20.358 flat angles C4'-P-C4' energy: -18.040 flat angles P-C4'-P energy: -12.702 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: 7, replica: 3 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -143.217658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.217658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.217658 (E_RNA) where: Base-Base interactions energy: -70.339 where: short stacking energy: -70.339 Base-Backbone interact. energy: -0.044 local terms energy: -72.834249 where: bonds (distance) C4'-P energy: -16.119 bonds (distance) P-C4' energy: -15.957 flat angles C4'-P-C4' energy: -15.462 flat angles P-C4'-P energy: -12.833 tors. eta vs tors. theta energy: -12.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -130.951494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.951494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.951494 (E_RNA) where: Base-Base interactions energy: -68.263 where: short stacking energy: -68.263 Base-Backbone interact. energy: 1.152 local terms energy: -63.840362 where: bonds (distance) C4'-P energy: -11.600 bonds (distance) P-C4' energy: -14.834 flat angles C4'-P-C4' energy: -14.748 flat angles P-C4'-P energy: -7.609 tors. eta vs tors. theta energy: -15.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -109.850846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.850846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.850846 (E_RNA) where: Base-Base interactions energy: -57.877 where: short stacking energy: -56.307 Base-Backbone interact. energy: 0.733 local terms energy: -52.706299 where: bonds (distance) C4'-P energy: -13.031 bonds (distance) P-C4' energy: -10.623 flat angles C4'-P-C4' energy: -19.979 flat angles P-C4'-P energy: -5.960 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: 10, replica: 7 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -118.657183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.657183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.657183 (E_RNA) where: Base-Base interactions energy: -56.975 where: short stacking energy: -57.075 Base-Backbone interact. energy: 0.963 local terms energy: -62.645201 where: bonds (distance) C4'-P energy: -19.732 bonds (distance) P-C4' energy: -8.867 flat angles C4'-P-C4' energy: -14.830 flat angles P-C4'-P energy: -9.375 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: 1, replica: 6 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -225.389677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.389677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.389677 (E_RNA) where: Base-Base interactions energy: -125.673 where: short stacking energy: -125.673 Base-Backbone interact. energy: -0.000 local terms energy: -99.716411 where: bonds (distance) C4'-P energy: -18.999 bonds (distance) P-C4' energy: -16.016 flat angles C4'-P-C4' energy: -20.100 flat angles P-C4'-P energy: -14.047 tors. eta vs tors. theta energy: -30.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -197.151349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.151349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.151349 (E_RNA) where: Base-Base interactions energy: -107.052 where: short stacking energy: -107.052 Base-Backbone interact. energy: -0.008 local terms energy: -90.090980 where: bonds (distance) C4'-P energy: -17.566 bonds (distance) P-C4' energy: -18.538 flat angles C4'-P-C4' energy: -20.909 flat angles P-C4'-P energy: -12.714 tors. eta vs tors. theta energy: -20.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -210.033536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.033536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.033536 (E_RNA) where: Base-Base interactions energy: -107.809 where: short stacking energy: -108.469 Base-Backbone interact. energy: 0.609 local terms energy: -102.834265 where: bonds (distance) C4'-P energy: -20.005 bonds (distance) P-C4' energy: -19.845 flat angles C4'-P-C4' energy: -20.794 flat angles P-C4'-P energy: -15.386 tors. eta vs tors. theta energy: -26.805 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: 8 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -180.283954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.283954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.283954 (E_RNA) where: Base-Base interactions energy: -96.871 where: short stacking energy: -96.871 Base-Backbone interact. energy: -0.004 local terms energy: -83.408433 where: bonds (distance) C4'-P energy: -18.290 bonds (distance) P-C4' energy: -15.139 flat angles C4'-P-C4' energy: -20.486 flat angles P-C4'-P energy: -9.935 tors. eta vs tors. theta energy: -19.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -163.705002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.705002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.705002 (E_RNA) where: Base-Base interactions energy: -83.303 where: short stacking energy: -83.303 Base-Backbone interact. energy: -0.023 local terms energy: -80.378671 where: bonds (distance) C4'-P energy: -18.882 bonds (distance) P-C4' energy: -16.977 flat angles C4'-P-C4' energy: -18.292 flat angles P-C4'-P energy: -9.967 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: 6, replica: 4 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -132.590756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.590756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.590756 (E_RNA) where: Base-Base interactions energy: -66.965 where: short stacking energy: -70.465 Base-Backbone interact. energy: -0.085 local terms energy: -65.540085 where: bonds (distance) C4'-P energy: -14.421 bonds (distance) P-C4' energy: -19.378 flat angles C4'-P-C4' energy: -11.728 flat angles P-C4'-P energy: -9.156 tors. eta vs tors. theta energy: -10.857 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: 7, replica: 9 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -152.139992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.139992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.139992 (E_RNA) where: Base-Base interactions energy: -79.162 where: short stacking energy: -78.637 Base-Backbone interact. energy: -0.723 local terms energy: -72.254500 where: bonds (distance) C4'-P energy: -15.645 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -15.970 flat angles P-C4'-P energy: -9.591 tors. eta vs tors. theta energy: -16.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -122.323222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.323222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.323222 (E_RNA) where: Base-Base interactions energy: -55.191 where: short stacking energy: -55.541 Base-Backbone interact. energy: -0.839 local terms energy: -66.292781 where: bonds (distance) C4'-P energy: -10.220 bonds (distance) P-C4' energy: -18.163 flat angles C4'-P-C4' energy: -19.829 flat angles P-C4'-P energy: -6.899 tors. eta vs tors. theta energy: -11.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -107.652926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.652926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.652926 (E_RNA) where: Base-Base interactions energy: -50.229 where: short stacking energy: -50.629 Base-Backbone interact. energy: -0.122 local terms energy: -57.301912 where: bonds (distance) C4'-P energy: -15.003 bonds (distance) P-C4' energy: -16.735 flat angles C4'-P-C4' energy: -10.905 flat angles P-C4'-P energy: -12.082 tors. eta vs tors. theta energy: -2.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -121.655813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.655813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.655813 (E_RNA) where: Base-Base interactions energy: -59.080 where: short stacking energy: -57.859 Base-Backbone interact. energy: -0.557 local terms energy: -62.019028 where: bonds (distance) C4'-P energy: -11.397 bonds (distance) P-C4' energy: -19.789 flat angles C4'-P-C4' energy: -18.946 flat angles P-C4'-P energy: -1.268 tors. eta vs tors. theta energy: -10.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -217.927308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.927308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.927308 (E_RNA) where: Base-Base interactions energy: -123.023 where: short stacking energy: -123.023 Base-Backbone interact. energy: -0.001 local terms energy: -94.903729 where: bonds (distance) C4'-P energy: -11.372 bonds (distance) P-C4' energy: -20.822 flat angles C4'-P-C4' energy: -19.539 flat angles P-C4'-P energy: -13.502 tors. eta vs tors. theta energy: -29.670 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: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -201.250419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.250419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.250419 (E_RNA) where: Base-Base interactions energy: -106.663 where: short stacking energy: -106.663 Base-Backbone interact. energy: -0.000 local terms energy: -94.586508 where: bonds (distance) C4'-P energy: -15.968 bonds (distance) P-C4' energy: -20.048 flat angles C4'-P-C4' energy: -19.140 flat angles P-C4'-P energy: -14.106 tors. eta vs tors. theta energy: -25.325 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: 325 Temperature: 1.000000 Total energy: -192.750626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.750626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.750626 (E_RNA) where: Base-Base interactions energy: -103.396 where: short stacking energy: -103.396 Base-Backbone interact. energy: -0.040 local terms energy: -89.315337 where: bonds (distance) C4'-P energy: -15.914 bonds (distance) P-C4' energy: -18.273 flat angles C4'-P-C4' energy: -20.553 flat angles P-C4'-P energy: -12.663 tors. eta vs tors. theta energy: -21.912 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: 325 Temperature: 1.050000 Total energy: -181.310506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.310506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.310506 (E_RNA) where: Base-Base interactions energy: -94.066 where: short stacking energy: -94.066 Base-Backbone interact. energy: -0.017 local terms energy: -87.227461 where: bonds (distance) C4'-P energy: -17.733 bonds (distance) P-C4' energy: -20.596 flat angles C4'-P-C4' energy: -21.427 flat angles P-C4'-P energy: -9.353 tors. eta vs tors. theta energy: -18.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -170.196577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.196577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.196577 (E_RNA) where: Base-Base interactions energy: -87.463 where: short stacking energy: -85.319 Base-Backbone interact. energy: -1.628 local terms energy: -81.106145 where: bonds (distance) C4'-P energy: -11.111 bonds (distance) P-C4' energy: -18.456 flat angles C4'-P-C4' energy: -20.788 flat angles P-C4'-P energy: -14.467 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: 6, replica: 9 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -145.791745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.791745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.791745 (E_RNA) where: Base-Base interactions energy: -71.553 where: short stacking energy: -71.553 Base-Backbone interact. energy: -0.169 local terms energy: -74.069314 where: bonds (distance) C4'-P energy: -14.829 bonds (distance) P-C4' energy: -17.032 flat angles C4'-P-C4' energy: -18.099 flat angles P-C4'-P energy: -12.172 tors. eta vs tors. theta energy: -11.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -158.996408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.996408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.996408 (E_RNA) where: Base-Base interactions energy: -73.846 where: short stacking energy: -73.846 Base-Backbone interact. energy: -0.046 local terms energy: -85.104444 where: bonds (distance) C4'-P energy: -20.405 bonds (distance) P-C4' energy: -16.863 flat angles C4'-P-C4' energy: -19.584 flat angles P-C4'-P energy: -11.761 tors. eta vs tors. theta energy: -16.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -124.102941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.102941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.102941 (E_RNA) where: Base-Base interactions energy: -60.409 where: short stacking energy: -60.409 Base-Backbone interact. energy: 0.148 local terms energy: -63.841879 where: bonds (distance) C4'-P energy: -11.480 bonds (distance) P-C4' energy: -16.378 flat angles C4'-P-C4' energy: -12.196 flat angles P-C4'-P energy: -12.469 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: 9, replica: 3 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -125.486975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.486975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.486975 (E_RNA) where: Base-Base interactions energy: -52.711 where: short stacking energy: -52.892 Base-Backbone interact. energy: -1.534 local terms energy: -71.241912 where: bonds (distance) C4'-P energy: -19.920 bonds (distance) P-C4' energy: -17.802 flat angles C4'-P-C4' energy: -14.888 flat angles P-C4'-P energy: -10.718 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: 1 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -116.809986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.809986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.809986 (E_RNA) where: Base-Base interactions energy: -61.237 where: short stacking energy: -61.237 Base-Backbone interact. energy: -0.803 local terms energy: -54.769362 where: bonds (distance) C4'-P energy: -12.735 bonds (distance) P-C4' energy: -15.600 flat angles C4'-P-C4' energy: -8.411 flat angles P-C4'-P energy: -10.954 tors. eta vs tors. theta energy: -7.070 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: 326 Temperature: 0.900000 Total energy: -214.469508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.469508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.469508 (E_RNA) where: Base-Base interactions energy: -118.108 where: short stacking energy: -118.108 Base-Backbone interact. energy: -0.001 local terms energy: -96.360519 where: bonds (distance) C4'-P energy: -19.027 bonds (distance) P-C4' energy: -19.182 flat angles C4'-P-C4' energy: -20.512 flat angles P-C4'-P energy: -12.208 tors. eta vs tors. theta energy: -25.432 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: 326 Temperature: 0.950000 Total energy: -217.426166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.426166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.426166 (E_RNA) where: Base-Base interactions energy: -120.501 where: short stacking energy: -120.501 Base-Backbone interact. energy: -0.070 local terms energy: -96.855541 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -21.644 flat angles C4'-P-C4' energy: -19.806 flat angles P-C4'-P energy: -13.320 tors. eta vs tors. theta energy: -29.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -179.409065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.409065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.409065 (E_RNA) where: Base-Base interactions energy: -95.094 where: short stacking energy: -95.094 Base-Backbone interact. energy: -1.819 local terms energy: -82.496138 where: bonds (distance) C4'-P energy: -15.006 bonds (distance) P-C4' energy: -21.504 flat angles C4'-P-C4' energy: -18.326 flat angles P-C4'-P energy: -13.227 tors. eta vs tors. theta energy: -14.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -182.305582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.305582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.305582 (E_RNA) where: Base-Base interactions energy: -102.794 where: short stacking energy: -102.794 Base-Backbone interact. energy: -0.010 local terms energy: -79.502007 where: bonds (distance) C4'-P energy: -15.680 bonds (distance) P-C4' energy: -17.583 flat angles C4'-P-C4' energy: -17.859 flat angles P-C4'-P energy: -9.685 tors. eta vs tors. theta energy: -18.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -147.792266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.792266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.792266 (E_RNA) where: Base-Base interactions energy: -80.204 where: short stacking energy: -79.850 Base-Backbone interact. energy: -0.316 local terms energy: -67.271959 where: bonds (distance) C4'-P energy: -14.565 bonds (distance) P-C4' energy: -17.104 flat angles C4'-P-C4' energy: -13.937 flat angles P-C4'-P energy: -10.892 tors. eta vs tors. theta energy: -10.775 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: 10 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -161.647055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.647055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.647055 (E_RNA) where: Base-Base interactions energy: -79.221 where: short stacking energy: -79.221 Base-Backbone interact. energy: -0.099 local terms energy: -82.326930 where: bonds (distance) C4'-P energy: -16.249 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -22.527 flat angles P-C4'-P energy: -10.466 tors. eta vs tors. theta energy: -17.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -150.508254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.508254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.508254 (E_RNA) where: Base-Base interactions energy: -77.353 where: short stacking energy: -77.353 Base-Backbone interact. energy: -0.089 local terms energy: -73.065492 where: bonds (distance) C4'-P energy: -15.118 bonds (distance) P-C4' energy: -18.822 flat angles C4'-P-C4' energy: -16.469 flat angles P-C4'-P energy: -10.265 tors. eta vs tors. theta energy: -12.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -137.569051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.569051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.569051 (E_RNA) where: Base-Base interactions energy: -70.443 where: short stacking energy: -70.443 Base-Backbone interact. energy: -0.011 local terms energy: -67.114397 where: bonds (distance) C4'-P energy: -11.832 bonds (distance) P-C4' energy: -15.878 flat angles C4'-P-C4' energy: -14.381 flat angles P-C4'-P energy: -14.388 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: 9, replica: 1 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -123.372054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.372054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.372054 (E_RNA) where: Base-Base interactions energy: -65.598 where: short stacking energy: -65.593 Base-Backbone interact. energy: -0.896 local terms energy: -56.878198 where: bonds (distance) C4'-P energy: -14.825 bonds (distance) P-C4' energy: -18.884 flat angles C4'-P-C4' energy: -11.100 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -7.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -121.027757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.027757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.027757 (E_RNA) where: Base-Base interactions energy: -49.955 where: short stacking energy: -49.955 Base-Backbone interact. energy: -0.147 local terms energy: -70.925498 where: bonds (distance) C4'-P energy: -18.614 bonds (distance) P-C4' energy: -19.926 flat angles C4'-P-C4' energy: -16.551 flat angles P-C4'-P energy: -11.058 tors. eta vs tors. theta energy: -4.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -220.140731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.140731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.140731 (E_RNA) where: Base-Base interactions energy: -117.668 where: short stacking energy: -117.668 Base-Backbone interact. energy: -0.000 local terms energy: -102.472168 where: bonds (distance) C4'-P energy: -19.470 bonds (distance) P-C4' energy: -19.429 flat angles C4'-P-C4' energy: -21.937 flat angles P-C4'-P energy: -12.901 tors. eta vs tors. theta energy: -28.736 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: 5 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -227.320814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.320814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.320814 (E_RNA) where: Base-Base interactions energy: -125.183 where: short stacking energy: -125.183 Base-Backbone interact. energy: -0.000 local terms energy: -102.137301 where: bonds (distance) C4'-P energy: -16.465 bonds (distance) P-C4' energy: -21.470 flat angles C4'-P-C4' energy: -18.493 flat angles P-C4'-P energy: -14.283 tors. eta vs tors. theta energy: -31.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -184.237987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.237987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.237987 (E_RNA) where: Base-Base interactions energy: -93.896 where: short stacking energy: -93.538 Base-Backbone interact. energy: -0.070 local terms energy: -90.271923 where: bonds (distance) C4'-P energy: -13.703 bonds (distance) P-C4' energy: -19.214 flat angles C4'-P-C4' energy: -21.396 flat angles P-C4'-P energy: -13.345 tors. eta vs tors. theta energy: -22.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -190.947261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.947261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.947261 (E_RNA) where: Base-Base interactions energy: -102.462 where: short stacking energy: -101.628 Base-Backbone interact. energy: -0.211 local terms energy: -88.274714 where: bonds (distance) C4'-P energy: -16.312 bonds (distance) P-C4' energy: -17.746 flat angles C4'-P-C4' energy: -17.543 flat angles P-C4'-P energy: -14.380 tors. eta vs tors. theta energy: -22.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -165.232532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.232532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.232532 (E_RNA) where: Base-Base interactions energy: -84.564 where: short stacking energy: -84.627 Base-Backbone interact. energy: -0.219 local terms energy: -80.450114 where: bonds (distance) C4'-P energy: -15.677 bonds (distance) P-C4' energy: -19.308 flat angles C4'-P-C4' energy: -17.325 flat angles P-C4'-P energy: -11.904 tors. eta vs tors. theta energy: -16.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -133.349297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.349297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.349297 (E_RNA) where: Base-Base interactions energy: -65.010 where: short stacking energy: -65.010 Base-Backbone interact. energy: -0.265 local terms energy: -68.074482 where: bonds (distance) C4'-P energy: -13.832 bonds (distance) P-C4' energy: -17.484 flat angles C4'-P-C4' energy: -19.239 flat angles P-C4'-P energy: -13.174 tors. eta vs tors. theta energy: -4.346 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: 10 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -164.287181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.287181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.287181 (E_RNA) where: Base-Base interactions energy: -94.110 where: short stacking energy: -94.110 Base-Backbone interact. energy: 0.354 local terms energy: -70.531573 where: bonds (distance) C4'-P energy: -16.795 bonds (distance) P-C4' energy: -11.515 flat angles C4'-P-C4' energy: -14.904 flat angles P-C4'-P energy: -11.849 tors. eta vs tors. theta energy: -15.469 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: 1 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -111.720426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.720426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.720426 (E_RNA) where: Base-Base interactions energy: -48.598 where: short stacking energy: -48.598 Base-Backbone interact. energy: -0.295 local terms energy: -62.827442 where: bonds (distance) C4'-P energy: -15.662 bonds (distance) P-C4' energy: -18.534 flat angles C4'-P-C4' energy: -13.608 flat angles P-C4'-P energy: -9.773 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: 9, replica: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -122.401371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.401371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.401371 (E_RNA) where: Base-Base interactions energy: -56.909 where: short stacking energy: -56.909 Base-Backbone interact. energy: -0.021 local terms energy: -65.471724 where: bonds (distance) C4'-P energy: -16.191 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -14.556 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: -10.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -119.038474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.038474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.038474 (E_RNA) where: Base-Base interactions energy: -64.818 where: short stacking energy: -65.418 Base-Backbone interact. energy: -0.324 local terms energy: -53.896543 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -16.636 flat angles C4'-P-C4' energy: -15.237 flat angles P-C4'-P energy: -8.648 tors. eta vs tors. theta energy: -5.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -210.855927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.855927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.855927 (E_RNA) where: Base-Base interactions energy: -115.044 where: short stacking energy: -115.044 Base-Backbone interact. energy: -0.005 local terms energy: -95.807330 where: bonds (distance) C4'-P energy: -18.655 bonds (distance) P-C4' energy: -21.422 flat angles C4'-P-C4' energy: -20.233 flat angles P-C4'-P energy: -11.655 tors. eta vs tors. theta energy: -23.842 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: 5 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -227.003838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.003838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.003838 (E_RNA) where: Base-Base interactions energy: -124.938 where: short stacking energy: -124.938 Base-Backbone interact. energy: -0.000 local terms energy: -102.066114 where: bonds (distance) C4'-P energy: -17.429 bonds (distance) P-C4' energy: -18.101 flat angles C4'-P-C4' energy: -20.182 flat angles P-C4'-P energy: -16.335 tors. eta vs tors. theta energy: -30.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -190.528903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.528903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.528903 (E_RNA) where: Base-Base interactions energy: -100.172 where: short stacking energy: -100.172 Base-Backbone interact. energy: -0.004 local terms energy: -90.352979 where: bonds (distance) C4'-P energy: -16.809 bonds (distance) P-C4' energy: -18.187 flat angles C4'-P-C4' energy: -20.506 flat angles P-C4'-P energy: -10.863 tors. eta vs tors. theta energy: -23.988 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: 8 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -186.195529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.195529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.195529 (E_RNA) where: Base-Base interactions energy: -99.208 where: short stacking energy: -99.208 Base-Backbone interact. energy: -0.016 local terms energy: -86.970790 where: bonds (distance) C4'-P energy: -15.591 bonds (distance) P-C4' energy: -20.787 flat angles C4'-P-C4' energy: -20.215 flat angles P-C4'-P energy: -10.120 tors. eta vs tors. theta energy: -20.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -163.844096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.844096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.844096 (E_RNA) where: Base-Base interactions energy: -78.176 where: short stacking energy: -78.176 Base-Backbone interact. energy: -0.005 local terms energy: -85.663411 where: bonds (distance) C4'-P energy: -19.838 bonds (distance) P-C4' energy: -16.652 flat angles C4'-P-C4' energy: -18.684 flat angles P-C4'-P energy: -11.055 tors. eta vs tors. theta energy: -19.434 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: 4 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -157.595035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.595035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.595035 (E_RNA) where: Base-Base interactions energy: -78.830 where: short stacking energy: -78.830 Base-Backbone interact. energy: 1.842 local terms energy: -80.607217 where: bonds (distance) C4'-P energy: -17.529 bonds (distance) P-C4' energy: -18.853 flat angles C4'-P-C4' energy: -16.612 flat angles P-C4'-P energy: -14.904 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: 7, replica: 1 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -151.396420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.396420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.396420 (E_RNA) where: Base-Base interactions energy: -71.893 where: short stacking energy: -71.893 Base-Backbone interact. energy: 0.033 local terms energy: -79.536670 where: bonds (distance) C4'-P energy: -19.512 bonds (distance) P-C4' energy: -19.691 flat angles C4'-P-C4' energy: -17.097 flat angles P-C4'-P energy: -9.542 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: 8, replica: 10 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -125.428875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.428875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.428875 (E_RNA) where: Base-Base interactions energy: -57.723 where: short stacking energy: -57.723 Base-Backbone interact. energy: -0.625 local terms energy: -67.081748 where: bonds (distance) C4'-P energy: -15.621 bonds (distance) P-C4' energy: -17.898 flat angles C4'-P-C4' energy: -15.246 flat angles P-C4'-P energy: -12.481 tors. eta vs tors. theta energy: -5.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -124.679422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.679422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.679422 (E_RNA) where: Base-Base interactions energy: -56.019 where: short stacking energy: -55.027 Base-Backbone interact. energy: -0.113 local terms energy: -68.547762 where: bonds (distance) C4'-P energy: -9.023 bonds (distance) P-C4' energy: -19.027 flat angles C4'-P-C4' energy: -20.559 flat angles P-C4'-P energy: -13.504 tors. eta vs tors. theta energy: -6.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -111.895711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.895711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.895711 (E_RNA) where: Base-Base interactions energy: -50.981 where: short stacking energy: -50.981 Base-Backbone interact. energy: -0.157 local terms energy: -60.758456 where: bonds (distance) C4'-P energy: -16.042 bonds (distance) P-C4' energy: -13.761 flat angles C4'-P-C4' energy: -9.785 flat angles P-C4'-P energy: -10.275 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: 1, replica: 6 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -213.878888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.878888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.878888 (E_RNA) where: Base-Base interactions energy: -117.594 where: short stacking energy: -117.594 Base-Backbone interact. energy: -0.000 local terms energy: -96.284437 where: bonds (distance) C4'-P energy: -16.500 bonds (distance) P-C4' energy: -18.915 flat angles C4'-P-C4' energy: -19.202 flat angles P-C4'-P energy: -13.941 tors. eta vs tors. theta energy: -27.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -195.427885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.427885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.427885 (E_RNA) where: Base-Base interactions energy: -107.857 where: short stacking energy: -107.857 Base-Backbone interact. energy: -0.008 local terms energy: -87.563236 where: bonds (distance) C4'-P energy: -16.787 bonds (distance) P-C4' energy: -19.310 flat angles C4'-P-C4' energy: -17.584 flat angles P-C4'-P energy: -10.598 tors. eta vs tors. theta energy: -23.285 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: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -208.441484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.441484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.441484 (E_RNA) where: Base-Base interactions energy: -114.941 where: short stacking energy: -115.941 Base-Backbone interact. energy: -0.006 local terms energy: -93.494721 where: bonds (distance) C4'-P energy: -17.154 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -19.924 flat angles P-C4'-P energy: -14.819 tors. eta vs tors. theta energy: -26.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -177.653313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.653313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.653313 (E_RNA) where: Base-Base interactions energy: -86.462 where: short stacking energy: -86.462 Base-Backbone interact. energy: -1.338 local terms energy: -89.853977 where: bonds (distance) C4'-P energy: -20.464 bonds (distance) P-C4' energy: -17.907 flat angles C4'-P-C4' energy: -14.934 flat angles P-C4'-P energy: -15.418 tors. eta vs tors. theta energy: -21.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -173.392364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.392364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.392364 (E_RNA) where: Base-Base interactions energy: -91.234 where: short stacking energy: -91.234 Base-Backbone interact. energy: 0.888 local terms energy: -83.046182 where: bonds (distance) C4'-P energy: -15.620 bonds (distance) P-C4' energy: -17.056 flat angles C4'-P-C4' energy: -20.418 flat angles P-C4'-P energy: -9.963 tors. eta vs tors. theta energy: -19.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -151.775371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.775371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.775371 (E_RNA) where: Base-Base interactions energy: -66.638 where: short stacking energy: -66.738 Base-Backbone interact. energy: -1.255 local terms energy: -83.882840 where: bonds (distance) C4'-P energy: -13.131 bonds (distance) P-C4' energy: -21.864 flat angles C4'-P-C4' energy: -21.892 flat angles P-C4'-P energy: -12.422 tors. eta vs tors. theta energy: -14.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -144.827350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.827350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.827350 (E_RNA) where: Base-Base interactions energy: -73.084 where: short stacking energy: -73.084 Base-Backbone interact. energy: -0.213 local terms energy: -71.531257 where: bonds (distance) C4'-P energy: -13.830 bonds (distance) P-C4' energy: -17.974 flat angles C4'-P-C4' energy: -11.025 flat angles P-C4'-P energy: -14.329 tors. eta vs tors. theta energy: -14.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -127.201363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.201363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.201363 (E_RNA) where: Base-Base interactions energy: -63.201 where: short stacking energy: -62.124 Base-Backbone interact. energy: -0.045 local terms energy: -63.955350 where: bonds (distance) C4'-P energy: -12.821 bonds (distance) P-C4' energy: -18.949 flat angles C4'-P-C4' energy: -15.285 flat angles P-C4'-P energy: -7.716 tors. eta vs tors. theta energy: -9.184 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: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -126.758801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.758801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.758801 (E_RNA) where: Base-Base interactions energy: -60.322 where: short stacking energy: -60.322 Base-Backbone interact. energy: -0.023 local terms energy: -66.413601 where: bonds (distance) C4'-P energy: -18.659 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -16.852 flat angles P-C4'-P energy: -6.621 tors. eta vs tors. theta energy: -11.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -120.636000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.636000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.636000 (E_RNA) where: Base-Base interactions energy: -56.435 where: short stacking energy: -54.351 Base-Backbone interact. energy: -0.276 local terms energy: -63.924911 where: bonds (distance) C4'-P energy: -18.974 bonds (distance) P-C4' energy: -13.109 flat angles C4'-P-C4' energy: -16.629 flat angles P-C4'-P energy: -6.787 tors. eta vs tors. theta energy: -8.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -214.337458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.337458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.337458 (E_RNA) where: Base-Base interactions energy: -121.757 where: short stacking energy: -121.757 Base-Backbone interact. energy: -1.237 local terms energy: -91.344060 where: bonds (distance) C4'-P energy: -11.108 bonds (distance) P-C4' energy: -20.812 flat angles C4'-P-C4' energy: -16.763 flat angles P-C4'-P energy: -14.556 tors. eta vs tors. theta energy: -28.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -194.536795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.536795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.536795 (E_RNA) where: Base-Base interactions energy: -102.171 where: short stacking energy: -99.643 Base-Backbone interact. energy: -0.057 local terms energy: -92.308934 where: bonds (distance) C4'-P energy: -16.373 bonds (distance) P-C4' energy: -21.211 flat angles C4'-P-C4' energy: -20.663 flat angles P-C4'-P energy: -11.869 tors. eta vs tors. theta energy: -22.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -205.445110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.445110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.445110 (E_RNA) where: Base-Base interactions energy: -109.349 where: short stacking energy: -109.349 Base-Backbone interact. energy: -0.001 local terms energy: -96.094852 where: bonds (distance) C4'-P energy: -19.254 bonds (distance) P-C4' energy: -20.415 flat angles C4'-P-C4' energy: -20.659 flat angles P-C4'-P energy: -10.859 tors. eta vs tors. theta energy: -24.909 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: 8 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -172.919016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.919016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.919016 (E_RNA) where: Base-Base interactions energy: -89.465 where: short stacking energy: -89.353 Base-Backbone interact. energy: -0.019 local terms energy: -83.435032 where: bonds (distance) C4'-P energy: -14.613 bonds (distance) P-C4' energy: -17.675 flat angles C4'-P-C4' energy: -18.343 flat angles P-C4'-P energy: -9.400 tors. eta vs tors. theta energy: -23.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -161.094948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.094948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.094948 (E_RNA) where: Base-Base interactions energy: -82.649 where: short stacking energy: -82.649 Base-Backbone interact. energy: -0.154 local terms energy: -78.292661 where: bonds (distance) C4'-P energy: -15.436 bonds (distance) P-C4' energy: -19.139 flat angles C4'-P-C4' energy: -20.169 flat angles P-C4'-P energy: -9.349 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: 6, replica: 9 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -154.533382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.533382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.533382 (E_RNA) where: Base-Base interactions energy: -78.840 where: short stacking energy: -77.981 Base-Backbone interact. energy: -0.487 local terms energy: -75.206215 where: bonds (distance) C4'-P energy: -13.693 bonds (distance) P-C4' energy: -19.633 flat angles C4'-P-C4' energy: -13.356 flat angles P-C4'-P energy: -10.813 tors. eta vs tors. theta energy: -17.711 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: 10 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -132.029958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.029958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.029958 (E_RNA) where: Base-Base interactions energy: -60.619 where: short stacking energy: -60.619 Base-Backbone interact. energy: -0.427 local terms energy: -70.984104 where: bonds (distance) C4'-P energy: -16.964 bonds (distance) P-C4' energy: -20.205 flat angles C4'-P-C4' energy: -20.902 flat angles P-C4'-P energy: -7.369 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: 1 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -122.499918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.499918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.499918 (E_RNA) where: Base-Base interactions energy: -59.399 where: short stacking energy: -59.399 Base-Backbone interact. energy: -0.285 local terms energy: -62.816025 where: bonds (distance) C4'-P energy: -13.163 bonds (distance) P-C4' energy: -16.857 flat angles C4'-P-C4' energy: -14.766 flat angles P-C4'-P energy: -9.605 tors. eta vs tors. theta energy: -8.425 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: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -136.367214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.367214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.367214 (E_RNA) where: Base-Base interactions energy: -72.849 where: short stacking energy: -72.849 Base-Backbone interact. energy: -0.138 local terms energy: -63.380769 where: bonds (distance) C4'-P energy: -16.545 bonds (distance) P-C4' energy: -18.038 flat angles C4'-P-C4' energy: -12.247 flat angles P-C4'-P energy: -7.209 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: 10, replica: 3 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -101.419182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.419182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.419182 (E_RNA) where: Base-Base interactions energy: -47.459 where: short stacking energy: -44.436 Base-Backbone interact. energy: 1.968 local terms energy: -55.928773 where: bonds (distance) C4'-P energy: -18.903 bonds (distance) P-C4' energy: -15.801 flat angles C4'-P-C4' energy: -10.024 flat angles P-C4'-P energy: -7.960 tors. eta vs tors. theta energy: -3.240 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: 1, replica: 6 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -216.678835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.678835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.678835 (E_RNA) where: Base-Base interactions energy: -115.808 where: short stacking energy: -115.808 Base-Backbone interact. energy: -0.008 local terms energy: -100.862801 where: bonds (distance) C4'-P energy: -15.761 bonds (distance) P-C4' energy: -20.963 flat angles C4'-P-C4' energy: -20.877 flat angles P-C4'-P energy: -17.031 tors. eta vs tors. theta energy: -26.230 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: 5 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -188.371242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.371242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.371242 (E_RNA) where: Base-Base interactions energy: -96.003 where: short stacking energy: -96.003 Base-Backbone interact. energy: -0.003 local terms energy: -92.364616 where: bonds (distance) C4'-P energy: -17.950 bonds (distance) P-C4' energy: -21.346 flat angles C4'-P-C4' energy: -19.198 flat angles P-C4'-P energy: -13.887 tors. eta vs tors. theta energy: -19.985 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: 2 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -178.954022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.954022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.954022 (E_RNA) where: Base-Base interactions energy: -94.084 where: short stacking energy: -93.855 Base-Backbone interact. energy: -1.156 local terms energy: -83.713607 where: bonds (distance) C4'-P energy: -18.753 bonds (distance) P-C4' energy: -17.586 flat angles C4'-P-C4' energy: -15.136 flat angles P-C4'-P energy: -13.804 tors. eta vs tors. theta energy: -18.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -186.367963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.367963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.367963 (E_RNA) where: Base-Base interactions energy: -93.393 where: short stacking energy: -93.393 Base-Backbone interact. energy: -0.003 local terms energy: -92.971650 where: bonds (distance) C4'-P energy: -19.752 bonds (distance) P-C4' energy: -20.581 flat angles C4'-P-C4' energy: -16.756 flat angles P-C4'-P energy: -14.966 tors. eta vs tors. theta energy: -20.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -147.256852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.256852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.256852 (E_RNA) where: Base-Base interactions energy: -76.053 where: short stacking energy: -76.053 Base-Backbone interact. energy: 0.893 local terms energy: -72.096989 where: bonds (distance) C4'-P energy: -19.473 bonds (distance) P-C4' energy: -15.708 flat angles C4'-P-C4' energy: -14.721 flat angles P-C4'-P energy: -10.895 tors. eta vs tors. theta energy: -11.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -151.233281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.233281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.233281 (E_RNA) where: Base-Base interactions energy: -82.652 where: short stacking energy: -82.652 Base-Backbone interact. energy: -0.122 local terms energy: -68.459055 where: bonds (distance) C4'-P energy: -13.360 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -18.364 flat angles P-C4'-P energy: -9.246 tors. eta vs tors. theta energy: -13.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -126.122946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.122946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.122946 (E_RNA) where: Base-Base interactions energy: -65.082 where: short stacking energy: -65.082 Base-Backbone interact. energy: -0.369 local terms energy: -60.672050 where: bonds (distance) C4'-P energy: -15.938 bonds (distance) P-C4' energy: -15.820 flat angles C4'-P-C4' energy: -16.061 flat angles P-C4'-P energy: -9.559 tors. eta vs tors. theta energy: -3.293 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: 7 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -134.891956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.891956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.891956 (E_RNA) where: Base-Base interactions energy: -70.491 where: short stacking energy: -70.491 Base-Backbone interact. energy: -0.079 local terms energy: -64.321486 where: bonds (distance) C4'-P energy: -14.129 bonds (distance) P-C4' energy: -14.155 flat angles C4'-P-C4' energy: -14.192 flat angles P-C4'-P energy: -8.511 tors. eta vs tors. theta energy: -13.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -133.307109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.307109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.307109 (E_RNA) where: Base-Base interactions energy: -63.606 where: short stacking energy: -63.606 Base-Backbone interact. energy: -0.130 local terms energy: -69.571825 where: bonds (distance) C4'-P energy: -21.143 bonds (distance) P-C4' energy: -15.146 flat angles C4'-P-C4' energy: -15.980 flat angles P-C4'-P energy: -7.620 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: 10, replica: 3 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -109.659418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.659418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.659418 (E_RNA) where: Base-Base interactions energy: -56.717 where: short stacking energy: -54.795 Base-Backbone interact. energy: -0.819 local terms energy: -52.122578 where: bonds (distance) C4'-P energy: -14.406 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -9.405 flat angles P-C4'-P energy: -10.192 tors. eta vs tors. theta energy: -2.575 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: 5 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -198.713569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.713569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.713569 (E_RNA) where: Base-Base interactions energy: -105.207 where: short stacking energy: -105.207 Base-Backbone interact. energy: -0.026 local terms energy: -93.479643 where: bonds (distance) C4'-P energy: -19.693 bonds (distance) P-C4' energy: -20.136 flat angles C4'-P-C4' energy: -19.438 flat angles P-C4'-P energy: -12.075 tors. eta vs tors. theta energy: -22.137 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: 332 Temperature: 0.950000 Total energy: -205.659844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.659844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.659844 (E_RNA) where: Base-Base interactions energy: -102.404 where: short stacking energy: -102.404 Base-Backbone interact. energy: -0.003 local terms energy: -103.252740 where: bonds (distance) C4'-P energy: -20.919 bonds (distance) P-C4' energy: -18.410 flat angles C4'-P-C4' energy: -21.544 flat angles P-C4'-P energy: -15.921 tors. eta vs tors. theta energy: -26.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -197.127999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.127999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.127999 (E_RNA) where: Base-Base interactions energy: -103.918 where: short stacking energy: -104.418 Base-Backbone interact. energy: -0.042 local terms energy: -93.167685 where: bonds (distance) C4'-P energy: -19.579 bonds (distance) P-C4' energy: -20.728 flat angles C4'-P-C4' energy: -19.675 flat angles P-C4'-P energy: -14.988 tors. eta vs tors. theta energy: -18.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -175.290002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.290002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.290002 (E_RNA) where: Base-Base interactions energy: -92.718 where: short stacking energy: -92.718 Base-Backbone interact. energy: -0.146 local terms energy: -82.426062 where: bonds (distance) C4'-P energy: -16.045 bonds (distance) P-C4' energy: -18.084 flat angles C4'-P-C4' energy: -17.817 flat angles P-C4'-P energy: -14.059 tors. eta vs tors. theta energy: -16.422 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: 9 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -153.165543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.165543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.165543 (E_RNA) where: Base-Base interactions energy: -71.725 where: short stacking energy: -71.725 Base-Backbone interact. energy: -0.681 local terms energy: -80.759008 where: bonds (distance) C4'-P energy: -20.111 bonds (distance) P-C4' energy: -16.192 flat angles C4'-P-C4' energy: -20.313 flat angles P-C4'-P energy: -11.152 tors. eta vs tors. theta energy: -12.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -153.997111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.997111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.997111 (E_RNA) where: Base-Base interactions energy: -75.565 where: short stacking energy: -73.820 Base-Backbone interact. energy: -0.097 local terms energy: -78.335506 where: bonds (distance) C4'-P energy: -17.106 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -18.640 flat angles P-C4'-P energy: -12.662 tors. eta vs tors. theta energy: -15.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -153.427985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.427985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.427985 (E_RNA) where: Base-Base interactions energy: -78.101 where: short stacking energy: -78.101 Base-Backbone interact. energy: -0.059 local terms energy: -75.268369 where: bonds (distance) C4'-P energy: -15.219 bonds (distance) P-C4' energy: -11.930 flat angles C4'-P-C4' energy: -20.949 flat angles P-C4'-P energy: -11.614 tors. eta vs tors. theta energy: -15.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -142.675471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.675471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.675471 (E_RNA) where: Base-Base interactions energy: -78.747 where: short stacking energy: -77.926 Base-Backbone interact. energy: -1.011 local terms energy: -62.916689 where: bonds (distance) C4'-P energy: -11.860 bonds (distance) P-C4' energy: -20.059 flat angles C4'-P-C4' energy: -8.490 flat angles P-C4'-P energy: -10.765 tors. eta vs tors. theta energy: -11.743 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: 9, replica: 3 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -133.293004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.293004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.293004 (E_RNA) where: Base-Base interactions energy: -58.481 where: short stacking energy: -58.211 Base-Backbone interact. energy: -0.001 local terms energy: -74.811094 where: bonds (distance) C4'-P energy: -20.330 bonds (distance) P-C4' energy: -17.983 flat angles C4'-P-C4' energy: -15.398 flat angles P-C4'-P energy: -7.167 tors. eta vs tors. theta energy: -13.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -115.213561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.213561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.213561 (E_RNA) where: Base-Base interactions energy: -55.716 where: short stacking energy: -51.703 Base-Backbone interact. energy: -0.138 local terms energy: -59.359782 where: bonds (distance) C4'-P energy: -13.649 bonds (distance) P-C4' energy: -16.721 flat angles C4'-P-C4' energy: -11.896 flat angles P-C4'-P energy: -14.462 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -204.076786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.076786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.076786 (E_RNA) where: Base-Base interactions energy: -109.051 where: short stacking energy: -108.991 Base-Backbone interact. energy: -0.001 local terms energy: -95.025252 where: bonds (distance) C4'-P energy: -17.783 bonds (distance) P-C4' energy: -16.218 flat angles C4'-P-C4' energy: -19.389 flat angles P-C4'-P energy: -15.060 tors. eta vs tors. theta energy: -26.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -204.951525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.951525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.951525 (E_RNA) where: Base-Base interactions energy: -113.428 where: short stacking energy: -110.271 Base-Backbone interact. energy: -0.212 local terms energy: -91.310847 where: bonds (distance) C4'-P energy: -19.511 bonds (distance) P-C4' energy: -17.210 flat angles C4'-P-C4' energy: -18.125 flat angles P-C4'-P energy: -13.438 tors. eta vs tors. theta energy: -23.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -200.751982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.751982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.751982 (E_RNA) where: Base-Base interactions energy: -107.234 where: short stacking energy: -107.234 Base-Backbone interact. energy: -0.057 local terms energy: -93.461006 where: bonds (distance) C4'-P energy: -17.921 bonds (distance) P-C4' energy: -18.621 flat angles C4'-P-C4' energy: -20.381 flat angles P-C4'-P energy: -11.485 tors. eta vs tors. theta energy: -25.053 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: 2 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -173.785198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.785198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.785198 (E_RNA) where: Base-Base interactions energy: -89.914 where: short stacking energy: -89.914 Base-Backbone interact. energy: -0.001 local terms energy: -83.870169 where: bonds (distance) C4'-P energy: -15.250 bonds (distance) P-C4' energy: -13.458 flat angles C4'-P-C4' energy: -19.502 flat angles P-C4'-P energy: -16.438 tors. eta vs tors. theta energy: -19.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -150.495742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.495742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.495742 (E_RNA) where: Base-Base interactions energy: -73.728 where: short stacking energy: -73.728 Base-Backbone interact. energy: -0.201 local terms energy: -76.566850 where: bonds (distance) C4'-P energy: -11.226 bonds (distance) P-C4' energy: -23.135 flat angles C4'-P-C4' energy: -17.692 flat angles P-C4'-P energy: -10.348 tors. eta vs tors. theta energy: -14.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -154.694170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.694170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.694170 (E_RNA) where: Base-Base interactions energy: -75.049 where: short stacking energy: -75.041 Base-Backbone interact. energy: -0.063 local terms energy: -79.582093 where: bonds (distance) C4'-P energy: -16.082 bonds (distance) P-C4' energy: -18.262 flat angles C4'-P-C4' energy: -13.683 flat angles P-C4'-P energy: -13.692 tors. eta vs tors. theta energy: -17.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -149.335412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.335412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.335412 (E_RNA) where: Base-Base interactions energy: -78.423 where: short stacking energy: -78.423 Base-Backbone interact. energy: -0.140 local terms energy: -70.772220 where: bonds (distance) C4'-P energy: -15.736 bonds (distance) P-C4' energy: -19.700 flat angles C4'-P-C4' energy: -13.995 flat angles P-C4'-P energy: -7.125 tors. eta vs tors. theta energy: -14.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -128.208843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.208843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.208843 (E_RNA) where: Base-Base interactions energy: -57.454 where: short stacking energy: -52.361 Base-Backbone interact. energy: -0.115 local terms energy: -70.640629 where: bonds (distance) C4'-P energy: -16.093 bonds (distance) P-C4' energy: -16.278 flat angles C4'-P-C4' energy: -16.603 flat angles P-C4'-P energy: -16.132 tors. eta vs tors. theta energy: -5.535 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: 10 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -126.557129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.557129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.557129 (E_RNA) where: Base-Base interactions energy: -67.443 where: short stacking energy: -64.535 Base-Backbone interact. energy: -0.153 local terms energy: -58.961554 where: bonds (distance) C4'-P energy: -15.069 bonds (distance) P-C4' energy: -13.551 flat angles C4'-P-C4' energy: -11.324 flat angles P-C4'-P energy: -9.267 tors. eta vs tors. theta energy: -9.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -134.852995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.852995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.852995 (E_RNA) where: Base-Base interactions energy: -61.562 where: short stacking energy: -61.562 Base-Backbone interact. energy: -0.133 local terms energy: -73.157875 where: bonds (distance) C4'-P energy: -15.028 bonds (distance) P-C4' energy: -19.185 flat angles C4'-P-C4' energy: -14.751 flat angles P-C4'-P energy: -11.569 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: 1, replica: 8 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -222.925788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.925788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.925788 (E_RNA) where: Base-Base interactions energy: -120.840 where: short stacking energy: -119.675 Base-Backbone interact. energy: -1.256 local terms energy: -100.829427 where: bonds (distance) C4'-P energy: -14.799 bonds (distance) P-C4' energy: -17.714 flat angles C4'-P-C4' energy: -23.246 flat angles P-C4'-P energy: -16.184 tors. eta vs tors. theta energy: -28.887 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: 2, replica: 5 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -224.042740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.042740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.042740 (E_RNA) where: Base-Base interactions energy: -123.056 where: short stacking energy: -123.056 Base-Backbone interact. energy: -0.000 local terms energy: -100.987165 where: bonds (distance) C4'-P energy: -18.501 bonds (distance) P-C4' energy: -17.988 flat angles C4'-P-C4' energy: -21.353 flat angles P-C4'-P energy: -12.864 tors. eta vs tors. theta energy: -30.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -187.773581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.773581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.773581 (E_RNA) where: Base-Base interactions energy: -108.672 where: short stacking energy: -108.672 Base-Backbone interact. energy: -0.032 local terms energy: -79.069489 where: bonds (distance) C4'-P energy: -12.104 bonds (distance) P-C4' energy: -18.833 flat angles C4'-P-C4' energy: -17.404 flat angles P-C4'-P energy: -10.327 tors. eta vs tors. theta energy: -20.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -174.518410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.518410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.518410 (E_RNA) where: Base-Base interactions energy: -91.395 where: short stacking energy: -91.395 Base-Backbone interact. energy: -0.017 local terms energy: -83.107054 where: bonds (distance) C4'-P energy: -11.463 bonds (distance) P-C4' energy: -17.404 flat angles C4'-P-C4' energy: -19.425 flat angles P-C4'-P energy: -13.839 tors. eta vs tors. theta energy: -20.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -161.083818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.083818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.083818 (E_RNA) where: Base-Base interactions energy: -85.804 where: short stacking energy: -85.804 Base-Backbone interact. energy: -0.079 local terms energy: -75.200446 where: bonds (distance) C4'-P energy: -14.713 bonds (distance) P-C4' energy: -16.541 flat angles C4'-P-C4' energy: -18.292 flat angles P-C4'-P energy: -14.437 tors. eta vs tors. theta energy: -11.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -149.026941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.026941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.026941 (E_RNA) where: Base-Base interactions energy: -79.782 where: short stacking energy: -79.782 Base-Backbone interact. energy: -0.112 local terms energy: -69.132191 where: bonds (distance) C4'-P energy: -14.163 bonds (distance) P-C4' energy: -17.595 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -9.587 tors. eta vs tors. theta energy: -13.918 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: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -145.052783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.052783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.052783 (E_RNA) where: Base-Base interactions energy: -72.340 where: short stacking energy: -69.585 Base-Backbone interact. energy: -0.008 local terms energy: -72.704739 where: bonds (distance) C4'-P energy: -13.971 bonds (distance) P-C4' energy: -23.838 flat angles C4'-P-C4' energy: -17.691 flat angles P-C4'-P energy: -5.862 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: 8, replica: 3 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -151.329384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.329384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.329384 (E_RNA) where: Base-Base interactions energy: -76.558 where: short stacking energy: -76.396 Base-Backbone interact. energy: -0.079 local terms energy: -74.692521 where: bonds (distance) C4'-P energy: -17.623 bonds (distance) P-C4' energy: -17.581 flat angles C4'-P-C4' energy: -17.546 flat angles P-C4'-P energy: -9.610 tors. eta vs tors. theta energy: -12.333 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: 9, replica: 10 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -121.365379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.365379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.365379 (E_RNA) where: Base-Base interactions energy: -57.556 where: short stacking energy: -57.556 Base-Backbone interact. energy: -0.017 local terms energy: -63.793280 where: bonds (distance) C4'-P energy: -5.878 bonds (distance) P-C4' energy: -21.103 flat angles C4'-P-C4' energy: -16.258 flat angles P-C4'-P energy: -12.740 tors. eta vs tors. theta energy: -7.814 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: 1 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -101.876585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.876585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.876585 (E_RNA) where: Base-Base interactions energy: -43.417 where: short stacking energy: -43.417 Base-Backbone interact. energy: -0.431 local terms energy: -58.028303 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -17.343 flat angles C4'-P-C4' energy: -16.022 flat angles P-C4'-P energy: -8.953 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -222.529925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.529925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.529925 (E_RNA) where: Base-Base interactions energy: -120.219 where: short stacking energy: -120.219 Base-Backbone interact. energy: -0.036 local terms energy: -102.274315 where: bonds (distance) C4'-P energy: -14.962 bonds (distance) P-C4' energy: -20.414 flat angles C4'-P-C4' energy: -22.316 flat angles P-C4'-P energy: -17.688 tors. eta vs tors. theta energy: -26.895 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: 2 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -195.633006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.633006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.633006 (E_RNA) where: Base-Base interactions energy: -105.559 where: short stacking energy: -105.559 Base-Backbone interact. energy: -0.041 local terms energy: -90.033182 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -18.429 flat angles C4'-P-C4' energy: -21.085 flat angles P-C4'-P energy: -13.784 tors. eta vs tors. theta energy: -24.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -200.299347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.299347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.299347 (E_RNA) where: Base-Base interactions energy: -105.521 where: short stacking energy: -105.521 Base-Backbone interact. energy: -0.024 local terms energy: -94.754370 where: bonds (distance) C4'-P energy: -19.023 bonds (distance) P-C4' energy: -13.325 flat angles C4'-P-C4' energy: -20.639 flat angles P-C4'-P energy: -16.759 tors. eta vs tors. theta energy: -25.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -175.558684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.558684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.558684 (E_RNA) where: Base-Base interactions energy: -86.257 where: short stacking energy: -86.257 Base-Backbone interact. energy: -0.100 local terms energy: -89.201707 where: bonds (distance) C4'-P energy: -19.487 bonds (distance) P-C4' energy: -18.887 flat angles C4'-P-C4' energy: -19.107 flat angles P-C4'-P energy: -11.751 tors. eta vs tors. theta energy: -19.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -152.159740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.159740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.159740 (E_RNA) where: Base-Base interactions energy: -82.421 where: short stacking energy: -78.589 Base-Backbone interact. energy: -0.033 local terms energy: -69.705647 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -18.806 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -7.848 tors. eta vs tors. theta energy: -10.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -163.034173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.034173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.034173 (E_RNA) where: Base-Base interactions energy: -89.365 where: short stacking energy: -89.365 Base-Backbone interact. energy: -0.058 local terms energy: -73.611006 where: bonds (distance) C4'-P energy: -11.451 bonds (distance) P-C4' energy: -17.268 flat angles C4'-P-C4' energy: -18.088 flat angles P-C4'-P energy: -8.833 tors. eta vs tors. theta energy: -17.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -144.030574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.030574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.030574 (E_RNA) where: Base-Base interactions energy: -74.326 where: short stacking energy: -74.326 Base-Backbone interact. energy: -0.103 local terms energy: -69.601886 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -14.115 flat angles C4'-P-C4' energy: -19.462 flat angles P-C4'-P energy: -8.845 tors. eta vs tors. theta energy: -13.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -117.414387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.414387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.414387 (E_RNA) where: Base-Base interactions energy: -60.302 where: short stacking energy: -60.302 Base-Backbone interact. energy: -0.682 local terms energy: -56.430039 where: bonds (distance) C4'-P energy: -15.409 bonds (distance) P-C4' energy: -14.716 flat angles C4'-P-C4' energy: -17.920 flat angles P-C4'-P energy: -2.597 tors. eta vs tors. theta energy: -5.788 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: 3 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -120.245959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.245959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.245959 (E_RNA) where: Base-Base interactions energy: -49.569 where: short stacking energy: -49.569 Base-Backbone interact. energy: -0.385 local terms energy: -70.292380 where: bonds (distance) C4'-P energy: -14.002 bonds (distance) P-C4' energy: -22.156 flat angles C4'-P-C4' energy: -16.389 flat angles P-C4'-P energy: -10.985 tors. eta vs tors. theta energy: -6.760 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: 10, replica: 1 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -118.463173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.463173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.463173 (E_RNA) where: Base-Base interactions energy: -55.177 where: short stacking energy: -55.177 Base-Backbone interact. energy: -0.073 local terms energy: -63.213514 where: bonds (distance) C4'-P energy: -16.460 bonds (distance) P-C4' energy: -20.038 flat angles C4'-P-C4' energy: -9.130 flat angles P-C4'-P energy: -8.903 tors. eta vs tors. theta energy: -8.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -221.544746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.544746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.544746 (E_RNA) where: Base-Base interactions energy: -117.849 where: short stacking energy: -117.325 Base-Backbone interact. energy: -0.048 local terms energy: -103.647833 where: bonds (distance) C4'-P energy: -19.929 bonds (distance) P-C4' energy: -22.409 flat angles C4'-P-C4' energy: -20.770 flat angles P-C4'-P energy: -12.791 tors. eta vs tors. theta energy: -27.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -183.661656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.661656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.661656 (E_RNA) where: Base-Base interactions energy: -100.599 where: short stacking energy: -100.599 Base-Backbone interact. energy: -0.314 local terms energy: -82.749123 where: bonds (distance) C4'-P energy: -18.083 bonds (distance) P-C4' energy: -19.365 flat angles C4'-P-C4' energy: -20.539 flat angles P-C4'-P energy: -7.972 tors. eta vs tors. theta energy: -16.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -207.668777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.668777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.668777 (E_RNA) where: Base-Base interactions energy: -111.889 where: short stacking energy: -111.889 Base-Backbone interact. energy: -0.018 local terms energy: -95.762174 where: bonds (distance) C4'-P energy: -17.847 bonds (distance) P-C4' energy: -18.219 flat angles C4'-P-C4' energy: -19.215 flat angles P-C4'-P energy: -13.675 tors. eta vs tors. theta energy: -26.806 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: 7 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -169.264868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.264868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.264868 (E_RNA) where: Base-Base interactions energy: -94.540 where: short stacking energy: -94.540 Base-Backbone interact. energy: -0.016 local terms energy: -74.708412 where: bonds (distance) C4'-P energy: -15.294 bonds (distance) P-C4' energy: -15.176 flat angles C4'-P-C4' energy: -18.738 flat angles P-C4'-P energy: -9.613 tors. eta vs tors. theta energy: -15.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -167.283992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.283992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.283992 (E_RNA) where: Base-Base interactions energy: -79.571 where: short stacking energy: -79.571 Base-Backbone interact. energy: -0.185 local terms energy: -87.527774 where: bonds (distance) C4'-P energy: -18.728 bonds (distance) P-C4' energy: -17.171 flat angles C4'-P-C4' energy: -19.305 flat angles P-C4'-P energy: -15.231 tors. eta vs tors. theta energy: -17.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -175.557877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.557877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.557877 (E_RNA) where: Base-Base interactions energy: -84.308 where: short stacking energy: -84.308 Base-Backbone interact. energy: 1.140 local terms energy: -92.389208 where: bonds (distance) C4'-P energy: -19.445 bonds (distance) P-C4' energy: -19.863 flat angles C4'-P-C4' energy: -20.185 flat angles P-C4'-P energy: -12.368 tors. eta vs tors. theta energy: -20.529 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: 4 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -125.757957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.757957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.757957 (E_RNA) where: Base-Base interactions energy: -60.833 where: short stacking energy: -60.833 Base-Backbone interact. energy: -1.273 local terms energy: -63.652090 where: bonds (distance) C4'-P energy: -13.774 bonds (distance) P-C4' energy: -21.614 flat angles C4'-P-C4' energy: -12.750 flat angles P-C4'-P energy: -10.454 tors. eta vs tors. theta energy: -5.060 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: 10 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -146.739834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.739834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.739834 (E_RNA) where: Base-Base interactions energy: -77.497 where: short stacking energy: -77.497 Base-Backbone interact. energy: -0.053 local terms energy: -69.189541 where: bonds (distance) C4'-P energy: -15.205 bonds (distance) P-C4' energy: -15.109 flat angles C4'-P-C4' energy: -12.417 flat angles P-C4'-P energy: -11.694 tors. eta vs tors. theta energy: -14.766 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: 1 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -131.050279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.050279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.050279 (E_RNA) where: Base-Base interactions energy: -71.297 where: short stacking energy: -71.297 Base-Backbone interact. energy: -0.161 local terms energy: -59.593077 where: bonds (distance) C4'-P energy: -11.245 bonds (distance) P-C4' energy: -16.502 flat angles C4'-P-C4' energy: -10.098 flat angles P-C4'-P energy: -13.611 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: 10, replica: 3 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -117.808280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.808280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.808280 (E_RNA) where: Base-Base interactions energy: -55.738 where: short stacking energy: -55.738 Base-Backbone interact. energy: -0.087 local terms energy: -61.983015 where: bonds (distance) C4'-P energy: -12.689 bonds (distance) P-C4' energy: -15.200 flat angles C4'-P-C4' energy: -14.657 flat angles P-C4'-P energy: -9.344 tors. eta vs tors. theta energy: -10.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -230.224548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.224548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.224548 (E_RNA) where: Base-Base interactions energy: -127.424 where: short stacking energy: -127.424 Base-Backbone interact. energy: -0.006 local terms energy: -102.794680 where: bonds (distance) C4'-P energy: -18.398 bonds (distance) P-C4' energy: -17.811 flat angles C4'-P-C4' energy: -22.571 flat angles P-C4'-P energy: -14.003 tors. eta vs tors. theta energy: -30.011 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: 5 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -190.397757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.397757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.397757 (E_RNA) where: Base-Base interactions energy: -102.242 where: short stacking energy: -102.242 Base-Backbone interact. energy: -0.033 local terms energy: -88.123305 where: bonds (distance) C4'-P energy: -18.248 bonds (distance) P-C4' energy: -18.453 flat angles C4'-P-C4' energy: -20.101 flat angles P-C4'-P energy: -9.527 tors. eta vs tors. theta energy: -21.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -181.471119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.471119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.471119 (E_RNA) where: Base-Base interactions energy: -91.867 where: short stacking energy: -91.867 Base-Backbone interact. energy: 0.162 local terms energy: -89.766030 where: bonds (distance) C4'-P energy: -16.092 bonds (distance) P-C4' energy: -17.754 flat angles C4'-P-C4' energy: -20.117 flat angles P-C4'-P energy: -14.606 tors. eta vs tors. theta energy: -21.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -181.589462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.589462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.589462 (E_RNA) where: Base-Base interactions energy: -99.583 where: short stacking energy: -99.583 Base-Backbone interact. energy: 0.818 local terms energy: -82.824559 where: bonds (distance) C4'-P energy: -16.411 bonds (distance) P-C4' energy: -12.670 flat angles C4'-P-C4' energy: -20.090 flat angles P-C4'-P energy: -12.233 tors. eta vs tors. theta energy: -21.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -165.236597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.236597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.236597 (E_RNA) where: Base-Base interactions energy: -84.029 where: short stacking energy: -84.029 Base-Backbone interact. energy: -0.012 local terms energy: -81.195596 where: bonds (distance) C4'-P energy: -16.141 bonds (distance) P-C4' energy: -16.652 flat angles C4'-P-C4' energy: -19.311 flat angles P-C4'-P energy: -13.397 tors. eta vs tors. theta energy: -15.694 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: 337 Temperature: 1.150000 Total energy: -166.825601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.825601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.825601 (E_RNA) where: Base-Base interactions energy: -85.761 where: short stacking energy: -85.761 Base-Backbone interact. energy: 0.079 local terms energy: -81.143420 where: bonds (distance) C4'-P energy: -18.978 bonds (distance) P-C4' energy: -16.025 flat angles C4'-P-C4' energy: -18.306 flat angles P-C4'-P energy: -8.756 tors. eta vs tors. theta energy: -19.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -133.985052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.985052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.985052 (E_RNA) where: Base-Base interactions energy: -69.277 where: short stacking energy: -69.277 Base-Backbone interact. energy: -0.197 local terms energy: -64.511267 where: bonds (distance) C4'-P energy: -13.843 bonds (distance) P-C4' energy: -16.362 flat angles C4'-P-C4' energy: -16.272 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -12.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -146.129439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.129439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.129439 (E_RNA) where: Base-Base interactions energy: -76.913 where: short stacking energy: -76.913 Base-Backbone interact. energy: -0.113 local terms energy: -69.102630 where: bonds (distance) C4'-P energy: -13.815 bonds (distance) P-C4' energy: -14.200 flat angles C4'-P-C4' energy: -16.094 flat angles P-C4'-P energy: -9.705 tors. eta vs tors. theta energy: -15.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -113.650818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.650818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.650818 (E_RNA) where: Base-Base interactions energy: -45.092 where: short stacking energy: -45.092 Base-Backbone interact. energy: -0.176 local terms energy: -68.383511 where: bonds (distance) C4'-P energy: -20.736 bonds (distance) P-C4' energy: -19.617 flat angles C4'-P-C4' energy: -12.041 flat angles P-C4'-P energy: -10.945 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: 10, replica: 3 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -109.931455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.931455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.931455 (E_RNA) where: Base-Base interactions energy: -47.269 where: short stacking energy: -45.760 Base-Backbone interact. energy: -0.502 local terms energy: -62.160085 where: bonds (distance) C4'-P energy: -16.592 bonds (distance) P-C4' energy: -16.297 flat angles C4'-P-C4' energy: -14.219 flat angles P-C4'-P energy: -11.920 tors. eta vs tors. theta energy: -3.133 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: 5 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -213.785095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.785095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.785095 (E_RNA) where: Base-Base interactions energy: -119.058 where: short stacking energy: -119.058 Base-Backbone interact. energy: -0.003 local terms energy: -94.724350 where: bonds (distance) C4'-P energy: -16.903 bonds (distance) P-C4' energy: -19.669 flat angles C4'-P-C4' energy: -16.964 flat angles P-C4'-P energy: -16.498 tors. eta vs tors. theta energy: -24.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -213.142392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.142392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.142392 (E_RNA) where: Base-Base interactions energy: -115.736 where: short stacking energy: -115.736 Base-Backbone interact. energy: -0.000 local terms energy: -97.406187 where: bonds (distance) C4'-P energy: -20.199 bonds (distance) P-C4' energy: -19.012 flat angles C4'-P-C4' energy: -21.201 flat angles P-C4'-P energy: -10.432 tors. eta vs tors. theta energy: -26.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -192.265536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.265536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.265536 (E_RNA) where: Base-Base interactions energy: -102.792 where: short stacking energy: -102.792 Base-Backbone interact. energy: 0.916 local terms energy: -90.389790 where: bonds (distance) C4'-P energy: -17.164 bonds (distance) P-C4' energy: -18.526 flat angles C4'-P-C4' energy: -19.241 flat angles P-C4'-P energy: -11.777 tors. eta vs tors. theta energy: -23.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -166.398870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.398870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.398870 (E_RNA) where: Base-Base interactions energy: -84.862 where: short stacking energy: -84.862 Base-Backbone interact. energy: -0.097 local terms energy: -81.440161 where: bonds (distance) C4'-P energy: -17.645 bonds (distance) P-C4' energy: -16.465 flat angles C4'-P-C4' energy: -19.589 flat angles P-C4'-P energy: -16.820 tors. eta vs tors. theta energy: -10.920 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: 7 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -170.583170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.583170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.583170 (E_RNA) where: Base-Base interactions energy: -91.706 where: short stacking energy: -91.706 Base-Backbone interact. energy: -0.095 local terms energy: -78.782963 where: bonds (distance) C4'-P energy: -18.207 bonds (distance) P-C4' energy: -17.318 flat angles C4'-P-C4' energy: -19.095 flat angles P-C4'-P energy: -5.946 tors. eta vs tors. theta energy: -18.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -162.101688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.101688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.101688 (E_RNA) where: Base-Base interactions energy: -86.574 where: short stacking energy: -86.574 Base-Backbone interact. energy: 0.010 local terms energy: -75.537498 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -18.068 flat angles C4'-P-C4' energy: -19.423 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: -17.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -134.845180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.845180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.845180 (E_RNA) where: Base-Base interactions energy: -60.108 where: short stacking energy: -59.487 Base-Backbone interact. energy: -0.557 local terms energy: -74.180069 where: bonds (distance) C4'-P energy: -19.213 bonds (distance) P-C4' energy: -16.790 flat angles C4'-P-C4' energy: -16.759 flat angles P-C4'-P energy: -14.393 tors. eta vs tors. theta energy: -7.025 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: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -132.997300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.997300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.997300 (E_RNA) where: Base-Base interactions energy: -62.962 where: short stacking energy: -62.962 Base-Backbone interact. energy: -0.178 local terms energy: -69.857107 where: bonds (distance) C4'-P energy: -10.667 bonds (distance) P-C4' energy: -20.609 flat angles C4'-P-C4' energy: -15.800 flat angles P-C4'-P energy: -10.371 tors. eta vs tors. theta energy: -12.410 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: 3 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -128.290412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.290412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.290412 (E_RNA) where: Base-Base interactions energy: -58.654 where: short stacking energy: -51.444 Base-Backbone interact. energy: -0.074 local terms energy: -69.562618 where: bonds (distance) C4'-P energy: -15.996 bonds (distance) P-C4' energy: -18.512 flat angles C4'-P-C4' energy: -15.609 flat angles P-C4'-P energy: -12.561 tors. eta vs tors. theta energy: -6.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -106.723705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.723705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.723705 (E_RNA) where: Base-Base interactions energy: -52.175 where: short stacking energy: -49.491 Base-Backbone interact. energy: -0.385 local terms energy: -54.163485 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -18.681 flat angles C4'-P-C4' energy: -17.961 flat angles P-C4'-P energy: -5.462 tors. eta vs tors. theta energy: -4.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -218.884480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.884480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.884480 (E_RNA) where: Base-Base interactions energy: -110.607 where: short stacking energy: -110.607 Base-Backbone interact. energy: -0.000 local terms energy: -108.277176 where: bonds (distance) C4'-P energy: -18.401 bonds (distance) P-C4' energy: -19.748 flat angles C4'-P-C4' energy: -22.939 flat angles P-C4'-P energy: -18.398 tors. eta vs tors. theta energy: -28.791 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: 2, replica: 8 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -209.041834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.041834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.041834 (E_RNA) where: Base-Base interactions energy: -111.709 where: short stacking energy: -111.709 Base-Backbone interact. energy: -0.000 local terms energy: -97.333143 where: bonds (distance) C4'-P energy: -15.662 bonds (distance) P-C4' energy: -19.455 flat angles C4'-P-C4' energy: -20.462 flat angles P-C4'-P energy: -13.801 tors. eta vs tors. theta energy: -27.954 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: 2 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -192.659754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.659754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.659754 (E_RNA) where: Base-Base interactions energy: -107.917 where: short stacking energy: -107.917 Base-Backbone interact. energy: -0.090 local terms energy: -84.652355 where: bonds (distance) C4'-P energy: -18.531 bonds (distance) P-C4' energy: -19.178 flat angles C4'-P-C4' energy: -17.970 flat angles P-C4'-P energy: -9.886 tors. eta vs tors. theta energy: -19.087 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: 7 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -186.342649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.342649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.342649 (E_RNA) where: Base-Base interactions energy: -102.105 where: short stacking energy: -102.105 Base-Backbone interact. energy: -0.207 local terms energy: -84.030481 where: bonds (distance) C4'-P energy: -14.518 bonds (distance) P-C4' energy: -18.080 flat angles C4'-P-C4' energy: -19.366 flat angles P-C4'-P energy: -8.149 tors. eta vs tors. theta energy: -23.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -151.983631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.983631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.983631 (E_RNA) where: Base-Base interactions energy: -70.818 where: short stacking energy: -70.818 Base-Backbone interact. energy: -0.289 local terms energy: -80.876575 where: bonds (distance) C4'-P energy: -16.506 bonds (distance) P-C4' energy: -20.912 flat angles C4'-P-C4' energy: -19.144 flat angles P-C4'-P energy: -11.570 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: 6, replica: 9 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -169.129627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.129627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.129627 (E_RNA) where: Base-Base interactions energy: -88.015 where: short stacking energy: -87.881 Base-Backbone interact. energy: -0.047 local terms energy: -81.067575 where: bonds (distance) C4'-P energy: -18.078 bonds (distance) P-C4' energy: -18.939 flat angles C4'-P-C4' energy: -18.745 flat angles P-C4'-P energy: -6.919 tors. eta vs tors. theta energy: -18.387 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: 10 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -140.719160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.719160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.719160 (E_RNA) where: Base-Base interactions energy: -65.990 where: short stacking energy: -65.990 Base-Backbone interact. energy: -0.204 local terms energy: -74.525468 where: bonds (distance) C4'-P energy: -14.172 bonds (distance) P-C4' energy: -18.019 flat angles C4'-P-C4' energy: -19.432 flat angles P-C4'-P energy: -15.729 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: 8, replica: 4 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -140.205616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.205616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.205616 (E_RNA) where: Base-Base interactions energy: -72.937 where: short stacking energy: -72.937 Base-Backbone interact. energy: -1.298 local terms energy: -65.970912 where: bonds (distance) C4'-P energy: -11.384 bonds (distance) P-C4' energy: -18.700 flat angles C4'-P-C4' energy: -16.682 flat angles P-C4'-P energy: -7.173 tors. eta vs tors. theta energy: -12.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -112.796356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.796356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.796356 (E_RNA) where: Base-Base interactions energy: -47.160 where: short stacking energy: -47.160 Base-Backbone interact. energy: -0.407 local terms energy: -65.229744 where: bonds (distance) C4'-P energy: -16.695 bonds (distance) P-C4' energy: -16.785 flat angles C4'-P-C4' energy: -14.633 flat angles P-C4'-P energy: -9.795 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: 10, replica: 1 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -108.326805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.326805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.326805 (E_RNA) where: Base-Base interactions energy: -54.175 where: short stacking energy: -54.175 Base-Backbone interact. energy: -0.073 local terms energy: -54.078866 where: bonds (distance) C4'-P energy: -12.615 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -12.098 flat angles P-C4'-P energy: -12.696 tors. eta vs tors. theta energy: -4.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -216.087101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.087101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.087101 (E_RNA) where: Base-Base interactions energy: -116.726 where: short stacking energy: -116.726 Base-Backbone interact. energy: -0.000 local terms energy: -99.361167 where: bonds (distance) C4'-P energy: -17.748 bonds (distance) P-C4' energy: -20.210 flat angles C4'-P-C4' energy: -20.982 flat angles P-C4'-P energy: -13.385 tors. eta vs tors. theta energy: -27.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -228.558827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.558827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.558827 (E_RNA) where: Base-Base interactions energy: -130.300 where: short stacking energy: -130.300 Base-Backbone interact. energy: -0.000 local terms energy: -98.258751 where: bonds (distance) C4'-P energy: -17.014 bonds (distance) P-C4' energy: -18.902 flat angles C4'-P-C4' energy: -20.985 flat angles P-C4'-P energy: -9.183 tors. eta vs tors. theta energy: -32.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -189.706980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.706980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.706980 (E_RNA) where: Base-Base interactions energy: -95.140 where: short stacking energy: -95.140 Base-Backbone interact. energy: -0.093 local terms energy: -94.473652 where: bonds (distance) C4'-P energy: -14.503 bonds (distance) P-C4' energy: -21.346 flat angles C4'-P-C4' energy: -20.501 flat angles P-C4'-P energy: -13.978 tors. eta vs tors. theta energy: -24.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -172.222166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.222166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.222166 (E_RNA) where: Base-Base interactions energy: -90.476 where: short stacking energy: -90.476 Base-Backbone interact. energy: -0.131 local terms energy: -81.614981 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -19.865 flat angles C4'-P-C4' energy: -16.562 flat angles P-C4'-P energy: -16.951 tors. eta vs tors. theta energy: -16.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -174.698955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.698955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.698955 (E_RNA) where: Base-Base interactions energy: -89.986 where: short stacking energy: -89.986 Base-Backbone interact. energy: -0.074 local terms energy: -84.639143 where: bonds (distance) C4'-P energy: -18.606 bonds (distance) P-C4' energy: -14.088 flat angles C4'-P-C4' energy: -22.395 flat angles P-C4'-P energy: -11.291 tors. eta vs tors. theta energy: -18.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -161.146343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.146343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.146343 (E_RNA) where: Base-Base interactions energy: -78.960 where: short stacking energy: -78.960 Base-Backbone interact. energy: -0.009 local terms energy: -82.177629 where: bonds (distance) C4'-P energy: -16.594 bonds (distance) P-C4' energy: -19.084 flat angles C4'-P-C4' energy: -21.496 flat angles P-C4'-P energy: -10.395 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: 7, replica: 4 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -147.424550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.424550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.424550 (E_RNA) where: Base-Base interactions energy: -74.125 where: short stacking energy: -68.847 Base-Backbone interact. energy: -0.017 local terms energy: -73.281676 where: bonds (distance) C4'-P energy: -14.721 bonds (distance) P-C4' energy: -17.054 flat angles C4'-P-C4' energy: -17.650 flat angles P-C4'-P energy: -11.199 tors. eta vs tors. theta energy: -12.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -152.071799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.071799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.071799 (E_RNA) where: Base-Base interactions energy: -74.717 where: short stacking energy: -74.717 Base-Backbone interact. energy: -0.149 local terms energy: -77.205616 where: bonds (distance) C4'-P energy: -15.426 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -19.300 flat angles P-C4'-P energy: -12.570 tors. eta vs tors. theta energy: -13.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -142.816270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.816270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.816270 (E_RNA) where: Base-Base interactions energy: -67.255 where: short stacking energy: -66.852 Base-Backbone interact. energy: -0.068 local terms energy: -75.492576 where: bonds (distance) C4'-P energy: -16.365 bonds (distance) P-C4' energy: -17.197 flat angles C4'-P-C4' energy: -18.661 flat angles P-C4'-P energy: -12.153 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: 10, replica: 1 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -120.589733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.589733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.589733 (E_RNA) where: Base-Base interactions energy: -59.513 where: short stacking energy: -59.359 Base-Backbone interact. energy: -0.034 local terms energy: -61.042545 where: bonds (distance) C4'-P energy: -15.404 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -15.627 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -13.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -218.068291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.068291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.068291 (E_RNA) where: Base-Base interactions energy: -122.972 where: short stacking energy: -122.972 Base-Backbone interact. energy: -0.001 local terms energy: -95.095101 where: bonds (distance) C4'-P energy: -16.073 bonds (distance) P-C4' energy: -20.612 flat angles C4'-P-C4' energy: -19.600 flat angles P-C4'-P energy: -11.084 tors. eta vs tors. theta energy: -27.726 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: 2, replica: 7 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -188.338480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.338480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.338480 (E_RNA) where: Base-Base interactions energy: -105.300 where: short stacking energy: -105.300 Base-Backbone interact. energy: -0.102 local terms energy: -82.936623 where: bonds (distance) C4'-P energy: -14.752 bonds (distance) P-C4' energy: -15.171 flat angles C4'-P-C4' energy: -16.510 flat angles P-C4'-P energy: -13.462 tors. eta vs tors. theta energy: -23.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -215.511285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.511285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.511285 (E_RNA) where: Base-Base interactions energy: -115.379 where: short stacking energy: -115.379 Base-Backbone interact. energy: -0.000 local terms energy: -100.131758 where: bonds (distance) C4'-P energy: -18.262 bonds (distance) P-C4' energy: -16.813 flat angles C4'-P-C4' energy: -21.074 flat angles P-C4'-P energy: -15.493 tors. eta vs tors. theta energy: -28.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -182.486138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.486138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.486138 (E_RNA) where: Base-Base interactions energy: -94.687 where: short stacking energy: -94.687 Base-Backbone interact. energy: -0.003 local terms energy: -87.795692 where: bonds (distance) C4'-P energy: -18.152 bonds (distance) P-C4' energy: -18.021 flat angles C4'-P-C4' energy: -18.386 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -23.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -166.574779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.574779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.574779 (E_RNA) where: Base-Base interactions energy: -82.822 where: short stacking energy: -82.822 Base-Backbone interact. energy: 0.047 local terms energy: -83.800290 where: bonds (distance) C4'-P energy: -19.729 bonds (distance) P-C4' energy: -21.031 flat angles C4'-P-C4' energy: -15.466 flat angles P-C4'-P energy: -13.612 tors. eta vs tors. theta energy: -13.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -161.383256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.383256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.383256 (E_RNA) where: Base-Base interactions energy: -75.363 where: short stacking energy: -75.363 Base-Backbone interact. energy: -0.059 local terms energy: -85.961962 where: bonds (distance) C4'-P energy: -18.663 bonds (distance) P-C4' energy: -17.932 flat angles C4'-P-C4' energy: -19.639 flat angles P-C4'-P energy: -13.932 tors. eta vs tors. theta energy: -15.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -128.198391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.198391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.198391 (E_RNA) where: Base-Base interactions energy: -60.918 where: short stacking energy: -60.618 Base-Backbone interact. energy: -0.095 local terms energy: -67.184954 where: bonds (distance) C4'-P energy: -14.805 bonds (distance) P-C4' energy: -19.249 flat angles C4'-P-C4' energy: -12.385 flat angles P-C4'-P energy: -13.192 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: 8, replica: 3 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -128.537110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.537110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.537110 (E_RNA) where: Base-Base interactions energy: -61.098 where: short stacking energy: -61.098 Base-Backbone interact. energy: -0.033 local terms energy: -67.405337 where: bonds (distance) C4'-P energy: -15.744 bonds (distance) P-C4' energy: -16.878 flat angles C4'-P-C4' energy: -15.932 flat angles P-C4'-P energy: -12.144 tors. eta vs tors. theta energy: -6.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -126.169360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.169360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.169360 (E_RNA) where: Base-Base interactions energy: -56.276 where: short stacking energy: -56.276 Base-Backbone interact. energy: -0.083 local terms energy: -69.810563 where: bonds (distance) C4'-P energy: -19.244 bonds (distance) P-C4' energy: -16.133 flat angles C4'-P-C4' energy: -14.816 flat angles P-C4'-P energy: -9.900 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: 10, replica: 1 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -115.483751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.483751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.483751 (E_RNA) where: Base-Base interactions energy: -55.634 where: short stacking energy: -53.442 Base-Backbone interact. energy: 0.481 local terms energy: -60.331155 where: bonds (distance) C4'-P energy: -13.885 bonds (distance) P-C4' energy: -16.138 flat angles C4'-P-C4' energy: -12.867 flat angles P-C4'-P energy: -10.438 tors. eta vs tors. theta energy: -7.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -204.539228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.539228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.539228 (E_RNA) where: Base-Base interactions energy: -110.143 where: short stacking energy: -110.143 Base-Backbone interact. energy: -0.001 local terms energy: -94.395837 where: bonds (distance) C4'-P energy: -19.855 bonds (distance) P-C4' energy: -17.784 flat angles C4'-P-C4' energy: -21.220 flat angles P-C4'-P energy: -13.059 tors. eta vs tors. theta energy: -22.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -209.753070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.753070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.753070 (E_RNA) where: Base-Base interactions energy: -116.877 where: short stacking energy: -116.877 Base-Backbone interact. energy: -0.001 local terms energy: -92.874978 where: bonds (distance) C4'-P energy: -15.740 bonds (distance) P-C4' energy: -19.198 flat angles C4'-P-C4' energy: -18.731 flat angles P-C4'-P energy: -12.251 tors. eta vs tors. theta energy: -26.956 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: 2 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -197.501823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.501823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.501823 (E_RNA) where: Base-Base interactions energy: -111.256 where: short stacking energy: -111.256 Base-Backbone interact. energy: -0.001 local terms energy: -86.244279 where: bonds (distance) C4'-P energy: -11.674 bonds (distance) P-C4' energy: -15.217 flat angles C4'-P-C4' energy: -20.956 flat angles P-C4'-P energy: -13.529 tors. eta vs tors. theta energy: -24.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -191.240970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.240970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.240970 (E_RNA) where: Base-Base interactions energy: -102.124 where: short stacking energy: -102.124 Base-Backbone interact. energy: -0.006 local terms energy: -89.111195 where: bonds (distance) C4'-P energy: -15.611 bonds (distance) P-C4' energy: -19.971 flat angles C4'-P-C4' energy: -21.302 flat angles P-C4'-P energy: -14.687 tors. eta vs tors. theta energy: -17.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -175.367416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.367416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.367416 (E_RNA) where: Base-Base interactions energy: -90.125 where: short stacking energy: -90.125 Base-Backbone interact. energy: -0.183 local terms energy: -85.059233 where: bonds (distance) C4'-P energy: -17.234 bonds (distance) P-C4' energy: -19.936 flat angles C4'-P-C4' energy: -20.422 flat angles P-C4'-P energy: -8.436 tors. eta vs tors. theta energy: -19.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -156.480950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.480950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.480950 (E_RNA) where: Base-Base interactions energy: -75.716 where: short stacking energy: -75.716 Base-Backbone interact. energy: -0.016 local terms energy: -80.749800 where: bonds (distance) C4'-P energy: -18.093 bonds (distance) P-C4' energy: -17.620 flat angles C4'-P-C4' energy: -17.130 flat angles P-C4'-P energy: -10.858 tors. eta vs tors. theta energy: -17.048 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: 7, replica: 3 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -123.358826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.358826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.358826 (E_RNA) where: Base-Base interactions energy: -62.106 where: short stacking energy: -62.106 Base-Backbone interact. energy: -0.121 local terms energy: -61.131308 where: bonds (distance) C4'-P energy: -13.433 bonds (distance) P-C4' energy: -12.587 flat angles C4'-P-C4' energy: -13.694 flat angles P-C4'-P energy: -11.948 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: 8, replica: 6 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -128.526878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.526878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.526878 (E_RNA) where: Base-Base interactions energy: -72.220 where: short stacking energy: -72.220 Base-Backbone interact. energy: -0.104 local terms energy: -56.203051 where: bonds (distance) C4'-P energy: -10.168 bonds (distance) P-C4' energy: -16.306 flat angles C4'-P-C4' energy: -18.382 flat angles P-C4'-P energy: 0.428 tors. eta vs tors. theta energy: -11.774 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: 1 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -110.692933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.692933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.692933 (E_RNA) where: Base-Base interactions energy: -55.721 where: short stacking energy: -55.721 Base-Backbone interact. energy: 6.108 local terms energy: -61.079802 where: bonds (distance) C4'-P energy: -11.719 bonds (distance) P-C4' energy: -19.834 flat angles C4'-P-C4' energy: -15.575 flat angles P-C4'-P energy: -9.089 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: 10, replica: 10 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -99.768441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.768441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.768441 (E_RNA) where: Base-Base interactions energy: -43.248 where: short stacking energy: -43.248 Base-Backbone interact. energy: -1.200 local terms energy: -55.319892 where: bonds (distance) C4'-P energy: -16.801 bonds (distance) P-C4' energy: -15.771 flat angles C4'-P-C4' energy: -11.917 flat angles P-C4'-P energy: -7.439 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -203.484393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.484393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.484393 (E_RNA) where: Base-Base interactions energy: -108.431 where: short stacking energy: -108.431 Base-Backbone interact. energy: -0.038 local terms energy: -95.015126 where: bonds (distance) C4'-P energy: -16.634 bonds (distance) P-C4' energy: -20.534 flat angles C4'-P-C4' energy: -23.098 flat angles P-C4'-P energy: -10.897 tors. eta vs tors. theta energy: -23.851 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: 2, replica: 2 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -202.612854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.612854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.612854 (E_RNA) where: Base-Base interactions energy: -107.164 where: short stacking energy: -107.164 Base-Backbone interact. energy: 0.571 local terms energy: -96.020043 where: bonds (distance) C4'-P energy: -15.620 bonds (distance) P-C4' energy: -17.618 flat angles C4'-P-C4' energy: -21.874 flat angles P-C4'-P energy: -15.956 tors. eta vs tors. theta energy: -24.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -198.719385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.719385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.719385 (E_RNA) where: Base-Base interactions energy: -106.868 where: short stacking energy: -106.868 Base-Backbone interact. energy: -0.000 local terms energy: -91.851477 where: bonds (distance) C4'-P energy: -18.207 bonds (distance) P-C4' energy: -19.632 flat angles C4'-P-C4' energy: -18.443 flat angles P-C4'-P energy: -12.679 tors. eta vs tors. theta energy: -22.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -172.417603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.417603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.417603 (E_RNA) where: Base-Base interactions energy: -88.882 where: short stacking energy: -88.882 Base-Backbone interact. energy: -0.009 local terms energy: -83.526800 where: bonds (distance) C4'-P energy: -17.650 bonds (distance) P-C4' energy: -17.120 flat angles C4'-P-C4' energy: -20.188 flat angles P-C4'-P energy: -10.636 tors. eta vs tors. theta energy: -17.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -153.522173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.522173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.522173 (E_RNA) where: Base-Base interactions energy: -83.743 where: short stacking energy: -83.743 Base-Backbone interact. energy: -0.207 local terms energy: -69.572635 where: bonds (distance) C4'-P energy: -9.876 bonds (distance) P-C4' energy: -17.924 flat angles C4'-P-C4' energy: -17.991 flat angles P-C4'-P energy: -10.006 tors. eta vs tors. theta energy: -13.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -162.567649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.567649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.567649 (E_RNA) where: Base-Base interactions energy: -83.521 where: short stacking energy: -83.521 Base-Backbone interact. energy: -0.348 local terms energy: -78.697836 where: bonds (distance) C4'-P energy: -18.080 bonds (distance) P-C4' energy: -15.195 flat angles C4'-P-C4' energy: -17.695 flat angles P-C4'-P energy: -13.029 tors. eta vs tors. theta energy: -14.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -141.973642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.973642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.973642 (E_RNA) where: Base-Base interactions energy: -75.536 where: short stacking energy: -75.536 Base-Backbone interact. energy: -0.104 local terms energy: -66.333898 where: bonds (distance) C4'-P energy: -13.659 bonds (distance) P-C4' energy: -19.914 flat angles C4'-P-C4' energy: -15.709 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -13.082 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: 6 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -121.604445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.604445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.604445 (E_RNA) where: Base-Base interactions energy: -58.022 where: short stacking energy: -56.479 Base-Backbone interact. energy: -0.233 local terms energy: -63.349551 where: bonds (distance) C4'-P energy: -12.105 bonds (distance) P-C4' energy: -17.620 flat angles C4'-P-C4' energy: -10.491 flat angles P-C4'-P energy: -12.668 tors. eta vs tors. theta energy: -10.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -126.247925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.247925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.247925 (E_RNA) where: Base-Base interactions energy: -57.356 where: short stacking energy: -57.356 Base-Backbone interact. energy: -0.078 local terms energy: -68.813699 where: bonds (distance) C4'-P energy: -16.538 bonds (distance) P-C4' energy: -18.125 flat angles C4'-P-C4' energy: -17.895 flat angles P-C4'-P energy: -8.255 tors. eta vs tors. theta energy: -8.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -110.132012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.132012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.132012 (E_RNA) where: Base-Base interactions energy: -58.600 where: short stacking energy: -58.600 Base-Backbone interact. energy: -0.162 local terms energy: -51.370387 where: bonds (distance) C4'-P energy: -11.699 bonds (distance) P-C4' energy: -10.908 flat angles C4'-P-C4' energy: -15.746 flat angles P-C4'-P energy: -8.532 tors. eta vs tors. theta energy: -4.485 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: 2 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -228.835464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.835464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.835464 (E_RNA) where: Base-Base interactions energy: -126.515 where: short stacking energy: -126.515 Base-Backbone interact. energy: -0.000 local terms energy: -102.320245 where: bonds (distance) C4'-P energy: -18.017 bonds (distance) P-C4' energy: -18.721 flat angles C4'-P-C4' energy: -22.407 flat angles P-C4'-P energy: -14.479 tors. eta vs tors. theta energy: -28.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -191.043447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.043447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.043447 (E_RNA) where: Base-Base interactions energy: -101.967 where: short stacking energy: -101.967 Base-Backbone interact. energy: -0.001 local terms energy: -89.075953 where: bonds (distance) C4'-P energy: -17.855 bonds (distance) P-C4' energy: -16.627 flat angles C4'-P-C4' energy: -19.051 flat angles P-C4'-P energy: -11.431 tors. eta vs tors. theta energy: -24.112 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: 3, replica: 4 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -197.309518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.309518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.309518 (E_RNA) where: Base-Base interactions energy: -106.700 where: short stacking energy: -106.700 Base-Backbone interact. energy: -0.539 local terms energy: -90.071416 where: bonds (distance) C4'-P energy: -21.142 bonds (distance) P-C4' energy: -16.297 flat angles C4'-P-C4' energy: -17.834 flat angles P-C4'-P energy: -11.264 tors. eta vs tors. theta energy: -23.534 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: 5 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -173.894323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.894323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.894323 (E_RNA) where: Base-Base interactions energy: -90.954 where: short stacking energy: -90.954 Base-Backbone interact. energy: -0.009 local terms energy: -82.931926 where: bonds (distance) C4'-P energy: -15.580 bonds (distance) P-C4' energy: -19.517 flat angles C4'-P-C4' energy: -16.339 flat angles P-C4'-P energy: -12.886 tors. eta vs tors. theta energy: -18.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -158.665179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.665179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.665179 (E_RNA) where: Base-Base interactions energy: -76.714 where: short stacking energy: -76.714 Base-Backbone interact. energy: -0.060 local terms energy: -81.891853 where: bonds (distance) C4'-P energy: -18.977 bonds (distance) P-C4' energy: -17.544 flat angles C4'-P-C4' energy: -22.290 flat angles P-C4'-P energy: -11.927 tors. eta vs tors. theta energy: -11.154 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: 9 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -152.919699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.919699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.919699 (E_RNA) where: Base-Base interactions energy: -76.502 where: short stacking energy: -76.502 Base-Backbone interact. energy: -0.062 local terms energy: -76.354710 where: bonds (distance) C4'-P energy: -18.815 bonds (distance) P-C4' energy: -11.322 flat angles C4'-P-C4' energy: -18.054 flat angles P-C4'-P energy: -16.312 tors. eta vs tors. theta energy: -11.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -156.003862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.003862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.003862 (E_RNA) where: Base-Base interactions energy: -80.484 where: short stacking energy: -80.484 Base-Backbone interact. energy: -0.649 local terms energy: -74.870334 where: bonds (distance) C4'-P energy: -18.132 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -18.292 flat angles P-C4'-P energy: -7.593 tors. eta vs tors. theta energy: -14.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -137.882336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.882336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.882336 (E_RNA) where: Base-Base interactions energy: -72.561 where: short stacking energy: -72.533 Base-Backbone interact. energy: -0.653 local terms energy: -64.667993 where: bonds (distance) C4'-P energy: -11.459 bonds (distance) P-C4' energy: -19.752 flat angles C4'-P-C4' energy: -16.243 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -12.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -129.959403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.959403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.959403 (E_RNA) where: Base-Base interactions energy: -54.764 where: short stacking energy: -54.764 Base-Backbone interact. energy: -0.125 local terms energy: -75.070497 where: bonds (distance) C4'-P energy: -15.310 bonds (distance) P-C4' energy: -20.677 flat angles C4'-P-C4' energy: -17.542 flat angles P-C4'-P energy: -10.080 tors. eta vs tors. theta energy: -11.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -125.944039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.944039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.944039 (E_RNA) where: Base-Base interactions energy: -55.815 where: short stacking energy: -55.815 Base-Backbone interact. energy: -0.638 local terms energy: -69.491167 where: bonds (distance) C4'-P energy: -15.697 bonds (distance) P-C4' energy: -15.328 flat angles C4'-P-C4' energy: -20.135 flat angles P-C4'-P energy: -8.111 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: 1, replica: 2 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -227.605511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.605511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.605511 (E_RNA) where: Base-Base interactions energy: -124.054 where: short stacking energy: -124.054 Base-Backbone interact. energy: -0.000 local terms energy: -103.551398 where: bonds (distance) C4'-P energy: -19.040 bonds (distance) P-C4' energy: -21.099 flat angles C4'-P-C4' energy: -19.573 flat angles P-C4'-P energy: -13.750 tors. eta vs tors. theta energy: -30.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -203.564321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.564321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.564321 (E_RNA) where: Base-Base interactions energy: -113.885 where: short stacking energy: -113.885 Base-Backbone interact. energy: -0.018 local terms energy: -89.661377 where: bonds (distance) C4'-P energy: -18.401 bonds (distance) P-C4' energy: -15.141 flat angles C4'-P-C4' energy: -19.250 flat angles P-C4'-P energy: -11.990 tors. eta vs tors. theta energy: -24.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -191.934758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.934758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.934758 (E_RNA) where: Base-Base interactions energy: -104.959 where: short stacking energy: -104.959 Base-Backbone interact. energy: -0.102 local terms energy: -86.874138 where: bonds (distance) C4'-P energy: -20.583 bonds (distance) P-C4' energy: -15.513 flat angles C4'-P-C4' energy: -14.670 flat angles P-C4'-P energy: -11.176 tors. eta vs tors. theta energy: -24.932 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: 345 Temperature: 1.050000 Total energy: -193.777986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.777986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.777986 (E_RNA) where: Base-Base interactions energy: -102.954 where: short stacking energy: -102.954 Base-Backbone interact. energy: -0.000 local terms energy: -90.824077 where: bonds (distance) C4'-P energy: -20.016 bonds (distance) P-C4' energy: -17.902 flat angles C4'-P-C4' energy: -17.331 flat angles P-C4'-P energy: -12.610 tors. eta vs tors. theta energy: -22.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -150.803644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.803644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.803644 (E_RNA) where: Base-Base interactions energy: -69.677 where: short stacking energy: -69.677 Base-Backbone interact. energy: -0.117 local terms energy: -81.010405 where: bonds (distance) C4'-P energy: -16.171 bonds (distance) P-C4' energy: -16.274 flat angles C4'-P-C4' energy: -18.719 flat angles P-C4'-P energy: -13.475 tors. eta vs tors. theta energy: -16.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -170.866712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.866712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.866712 (E_RNA) where: Base-Base interactions energy: -90.245 where: short stacking energy: -90.212 Base-Backbone interact. energy: -0.007 local terms energy: -80.615046 where: bonds (distance) C4'-P energy: -17.209 bonds (distance) P-C4' energy: -17.477 flat angles C4'-P-C4' energy: -22.068 flat angles P-C4'-P energy: -5.469 tors. eta vs tors. theta energy: -18.393 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: 9 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -150.470509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.470509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.470509 (E_RNA) where: Base-Base interactions energy: -75.076 where: short stacking energy: -75.076 Base-Backbone interact. energy: -0.015 local terms energy: -75.379382 where: bonds (distance) C4'-P energy: -16.998 bonds (distance) P-C4' energy: -19.908 flat angles C4'-P-C4' energy: -13.917 flat angles P-C4'-P energy: -11.237 tors. eta vs tors. theta energy: -13.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -128.556625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.556625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.556625 (E_RNA) where: Base-Base interactions energy: -72.293 where: short stacking energy: -72.293 Base-Backbone interact. energy: -0.066 local terms energy: -56.197269 where: bonds (distance) C4'-P energy: -13.065 bonds (distance) P-C4' energy: -20.736 flat angles C4'-P-C4' energy: -11.515 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -7.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -124.242924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.242924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.242924 (E_RNA) where: Base-Base interactions energy: -59.197 where: short stacking energy: -59.197 Base-Backbone interact. energy: -0.197 local terms energy: -64.847943 where: bonds (distance) C4'-P energy: -16.258 bonds (distance) P-C4' energy: -18.529 flat angles C4'-P-C4' energy: -15.560 flat angles P-C4'-P energy: -11.324 tors. eta vs tors. theta energy: -3.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -109.721042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.721042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.721042 (E_RNA) where: Base-Base interactions energy: -46.255 where: short stacking energy: -46.255 Base-Backbone interact. energy: -0.195 local terms energy: -63.271260 where: bonds (distance) C4'-P energy: -17.267 bonds (distance) P-C4' energy: -17.244 flat angles C4'-P-C4' energy: -15.250 flat angles P-C4'-P energy: -12.880 tors. eta vs tors. theta energy: -0.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -225.352700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.352700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.352700 (E_RNA) where: Base-Base interactions energy: -127.012 where: short stacking energy: -127.012 Base-Backbone interact. energy: -0.000 local terms energy: -98.340783 where: bonds (distance) C4'-P energy: -19.310 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -20.044 flat angles P-C4'-P energy: -13.386 tors. eta vs tors. theta energy: -30.086 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: 346 Temperature: 0.950000 Total energy: -177.020042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.020042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.020042 (E_RNA) where: Base-Base interactions energy: -96.381 where: short stacking energy: -96.381 Base-Backbone interact. energy: -0.059 local terms energy: -80.579720 where: bonds (distance) C4'-P energy: -13.460 bonds (distance) P-C4' energy: -19.113 flat angles C4'-P-C4' energy: -21.148 flat angles P-C4'-P energy: -8.134 tors. eta vs tors. theta energy: -18.724 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: 7 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -202.489805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.489805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.489805 (E_RNA) where: Base-Base interactions energy: -106.923 where: short stacking energy: -106.923 Base-Backbone interact. energy: -0.000 local terms energy: -95.566565 where: bonds (distance) C4'-P energy: -20.956 bonds (distance) P-C4' energy: -16.067 flat angles C4'-P-C4' energy: -18.096 flat angles P-C4'-P energy: -13.286 tors. eta vs tors. theta energy: -27.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -172.793863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.793863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.793863 (E_RNA) where: Base-Base interactions energy: -92.239 where: short stacking energy: -92.239 Base-Backbone interact. energy: -0.016 local terms energy: -80.538515 where: bonds (distance) C4'-P energy: -17.040 bonds (distance) P-C4' energy: -14.201 flat angles C4'-P-C4' energy: -19.281 flat angles P-C4'-P energy: -13.246 tors. eta vs tors. theta energy: -16.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -158.366063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.366063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.366063 (E_RNA) where: Base-Base interactions energy: -80.628 where: short stacking energy: -80.209 Base-Backbone interact. energy: -0.508 local terms energy: -77.230783 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -17.927 flat angles C4'-P-C4' energy: -19.239 flat angles P-C4'-P energy: -12.646 tors. eta vs tors. theta energy: -13.716 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: 3 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -160.882683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.882683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.882683 (E_RNA) where: Base-Base interactions energy: -78.487 where: short stacking energy: -78.487 Base-Backbone interact. energy: 0.065 local terms energy: -82.460799 where: bonds (distance) C4'-P energy: -17.412 bonds (distance) P-C4' energy: -19.221 flat angles C4'-P-C4' energy: -22.293 flat angles P-C4'-P energy: -6.876 tors. eta vs tors. theta energy: -16.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -134.770714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.770714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.770714 (E_RNA) where: Base-Base interactions energy: -64.984 where: short stacking energy: -64.984 Base-Backbone interact. energy: -0.070 local terms energy: -69.716495 where: bonds (distance) C4'-P energy: -11.134 bonds (distance) P-C4' energy: -19.795 flat angles C4'-P-C4' energy: -16.363 flat angles P-C4'-P energy: -11.064 tors. eta vs tors. theta energy: -11.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -140.326812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.326812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.326812 (E_RNA) where: Base-Base interactions energy: -71.892 where: short stacking energy: -67.670 Base-Backbone interact. energy: -1.310 local terms energy: -67.125502 where: bonds (distance) C4'-P energy: -10.052 bonds (distance) P-C4' energy: -18.847 flat angles C4'-P-C4' energy: -17.243 flat angles P-C4'-P energy: -11.221 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: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -112.459759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.459759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.459759 (E_RNA) where: Base-Base interactions energy: -42.995 where: short stacking energy: -42.350 Base-Backbone interact. energy: -0.171 local terms energy: -69.293751 where: bonds (distance) C4'-P energy: -14.320 bonds (distance) P-C4' energy: -18.044 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -12.985 tors. eta vs tors. theta energy: -10.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -100.233496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.233496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.233496 (E_RNA) where: Base-Base interactions energy: -44.312 where: short stacking energy: -44.312 Base-Backbone interact. energy: -0.798 local terms energy: -55.123910 where: bonds (distance) C4'-P energy: -17.739 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -15.306 flat angles P-C4'-P energy: -8.469 tors. eta vs tors. theta energy: -0.347 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: 2 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -227.351944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.351944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.351944 (E_RNA) where: Base-Base interactions energy: -118.499 where: short stacking energy: -118.499 Base-Backbone interact. energy: -0.000 local terms energy: -108.853247 where: bonds (distance) C4'-P energy: -19.512 bonds (distance) P-C4' energy: -19.678 flat angles C4'-P-C4' energy: -21.571 flat angles P-C4'-P energy: -16.879 tors. eta vs tors. theta energy: -31.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -194.524438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.524438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.524438 (E_RNA) where: Base-Base interactions energy: -107.718 where: short stacking energy: -107.718 Base-Backbone interact. energy: -0.011 local terms energy: -86.795439 where: bonds (distance) C4'-P energy: -13.206 bonds (distance) P-C4' energy: -18.502 flat angles C4'-P-C4' energy: -17.981 flat angles P-C4'-P energy: -11.965 tors. eta vs tors. theta energy: -25.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -198.284820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.284820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.284820 (E_RNA) where: Base-Base interactions energy: -107.587 where: short stacking energy: -107.587 Base-Backbone interact. energy: -0.007 local terms energy: -90.691005 where: bonds (distance) C4'-P energy: -18.502 bonds (distance) P-C4' energy: -12.473 flat angles C4'-P-C4' energy: -19.762 flat angles P-C4'-P energy: -12.962 tors. eta vs tors. theta energy: -26.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -187.261260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.261260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.261260 (E_RNA) where: Base-Base interactions energy: -101.794 where: short stacking energy: -101.794 Base-Backbone interact. energy: -0.701 local terms energy: -84.766635 where: bonds (distance) C4'-P energy: -18.071 bonds (distance) P-C4' energy: -18.218 flat angles C4'-P-C4' energy: -17.504 flat angles P-C4'-P energy: -10.341 tors. eta vs tors. theta energy: -20.632 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: 8 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -148.877810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.877810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.877810 (E_RNA) where: Base-Base interactions energy: -78.510 where: short stacking energy: -77.534 Base-Backbone interact. energy: -0.037 local terms energy: -70.330546 where: bonds (distance) C4'-P energy: -15.404 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -15.645 flat angles P-C4'-P energy: -10.405 tors. eta vs tors. theta energy: -13.603 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: 3 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -150.439809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.439809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.439809 (E_RNA) where: Base-Base interactions energy: -84.530 where: short stacking energy: -83.498 Base-Backbone interact. energy: -0.565 local terms energy: -65.344797 where: bonds (distance) C4'-P energy: -16.724 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -17.277 flat angles P-C4'-P energy: -7.396 tors. eta vs tors. theta energy: -16.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -134.779679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.779679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.779679 (E_RNA) where: Base-Base interactions energy: -66.286 where: short stacking energy: -66.286 Base-Backbone interact. energy: -0.188 local terms energy: -68.305285 where: bonds (distance) C4'-P energy: -16.746 bonds (distance) P-C4' energy: -12.714 flat angles C4'-P-C4' energy: -18.218 flat angles P-C4'-P energy: -12.833 tors. eta vs tors. theta energy: -7.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -132.631728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.631728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.631728 (E_RNA) where: Base-Base interactions energy: -69.946 where: short stacking energy: -69.946 Base-Backbone interact. energy: -0.224 local terms energy: -62.461463 where: bonds (distance) C4'-P energy: -10.949 bonds (distance) P-C4' energy: -13.885 flat angles C4'-P-C4' energy: -16.839 flat angles P-C4'-P energy: -8.869 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: 9, replica: 9 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -126.565893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.565893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.565893 (E_RNA) where: Base-Base interactions energy: -52.356 where: short stacking energy: -48.545 Base-Backbone interact. energy: -0.451 local terms energy: -73.759488 where: bonds (distance) C4'-P energy: -15.544 bonds (distance) P-C4' energy: -15.127 flat angles C4'-P-C4' energy: -20.814 flat angles P-C4'-P energy: -10.461 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: 10, replica: 6 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -117.105499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.105499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.105499 (E_RNA) where: Base-Base interactions energy: -55.465 where: short stacking energy: -53.545 Base-Backbone interact. energy: 3.501 local terms energy: -65.141416 where: bonds (distance) C4'-P energy: -14.803 bonds (distance) P-C4' energy: -17.846 flat angles C4'-P-C4' energy: -12.646 flat angles P-C4'-P energy: -13.702 tors. eta vs tors. theta energy: -6.145 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: 2 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -225.027193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.027193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.027193 (E_RNA) where: Base-Base interactions energy: -127.243 where: short stacking energy: -127.243 Base-Backbone interact. energy: -0.000 local terms energy: -97.783955 where: bonds (distance) C4'-P energy: -19.303 bonds (distance) P-C4' energy: -15.603 flat angles C4'-P-C4' energy: -18.613 flat angles P-C4'-P energy: -14.160 tors. eta vs tors. theta energy: -30.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -191.193427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.193427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.193427 (E_RNA) where: Base-Base interactions energy: -99.353 where: short stacking energy: -99.353 Base-Backbone interact. energy: -0.001 local terms energy: -91.840414 where: bonds (distance) C4'-P energy: -20.802 bonds (distance) P-C4' energy: -18.350 flat angles C4'-P-C4' energy: -20.570 flat angles P-C4'-P energy: -11.333 tors. eta vs tors. theta energy: -20.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -190.337026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.337026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.337026 (E_RNA) where: Base-Base interactions energy: -95.760 where: short stacking energy: -95.760 Base-Backbone interact. energy: -0.053 local terms energy: -94.523460 where: bonds (distance) C4'-P energy: -16.817 bonds (distance) P-C4' energy: -20.678 flat angles C4'-P-C4' energy: -21.524 flat angles P-C4'-P energy: -14.955 tors. eta vs tors. theta energy: -20.550 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: 4, replica: 4 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -193.564571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.564571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.564571 (E_RNA) where: Base-Base interactions energy: -103.156 where: short stacking energy: -103.156 Base-Backbone interact. energy: -0.001 local terms energy: -90.408179 where: bonds (distance) C4'-P energy: -15.030 bonds (distance) P-C4' energy: -22.159 flat angles C4'-P-C4' energy: -20.931 flat angles P-C4'-P energy: -10.647 tors. eta vs tors. theta energy: -21.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -160.675866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.675866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.675866 (E_RNA) where: Base-Base interactions energy: -88.642 where: short stacking energy: -88.642 Base-Backbone interact. energy: -0.521 local terms energy: -71.512047 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -15.641 flat angles C4'-P-C4' energy: -10.205 flat angles P-C4'-P energy: -13.338 tors. eta vs tors. theta energy: -19.627 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: 3 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -154.460649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.460649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.460649 (E_RNA) where: Base-Base interactions energy: -87.689 where: short stacking energy: -87.689 Base-Backbone interact. energy: -0.092 local terms energy: -66.679933 where: bonds (distance) C4'-P energy: -10.118 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -14.986 flat angles P-C4'-P energy: -10.869 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: 7, replica: 1 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -164.732857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.732857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.732857 (E_RNA) where: Base-Base interactions energy: -88.680 where: short stacking energy: -88.680 Base-Backbone interact. energy: -0.093 local terms energy: -75.959867 where: bonds (distance) C4'-P energy: -12.730 bonds (distance) P-C4' energy: -18.315 flat angles C4'-P-C4' energy: -16.690 flat angles P-C4'-P energy: -7.921 tors. eta vs tors. theta energy: -20.304 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: 10 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -129.257706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.257706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.257706 (E_RNA) where: Base-Base interactions energy: -56.125 where: short stacking energy: -56.125 Base-Backbone interact. energy: -0.229 local terms energy: -72.903884 where: bonds (distance) C4'-P energy: -17.921 bonds (distance) P-C4' energy: -18.579 flat angles C4'-P-C4' energy: -15.485 flat angles P-C4'-P energy: -10.097 tors. eta vs tors. theta energy: -10.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -128.263488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.263488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.263488 (E_RNA) where: Base-Base interactions energy: -64.079 where: short stacking energy: -64.079 Base-Backbone interact. energy: -0.321 local terms energy: -63.863252 where: bonds (distance) C4'-P energy: -18.459 bonds (distance) P-C4' energy: -11.162 flat angles C4'-P-C4' energy: -12.308 flat angles P-C4'-P energy: -12.108 tors. eta vs tors. theta energy: -9.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -112.997521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.997521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.997521 (E_RNA) where: Base-Base interactions energy: -62.227 where: short stacking energy: -62.227 Base-Backbone interact. energy: -0.078 local terms energy: -50.692281 where: bonds (distance) C4'-P energy: -14.252 bonds (distance) P-C4' energy: -9.274 flat angles C4'-P-C4' energy: -13.593 flat angles P-C4'-P energy: -6.311 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: 1, replica: 2 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -223.163257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.163257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.163257 (E_RNA) where: Base-Base interactions energy: -126.781 where: short stacking energy: -126.781 Base-Backbone interact. energy: -0.000 local terms energy: -96.382108 where: bonds (distance) C4'-P energy: -10.586 bonds (distance) P-C4' energy: -19.410 flat angles C4'-P-C4' energy: -19.963 flat angles P-C4'-P energy: -16.322 tors. eta vs tors. theta energy: -30.101 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: 2, replica: 7 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -191.353447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.353447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.353447 (E_RNA) where: Base-Base interactions energy: -103.091 where: short stacking energy: -103.091 Base-Backbone interact. energy: -0.025 local terms energy: -88.237225 where: bonds (distance) C4'-P energy: -18.860 bonds (distance) P-C4' energy: -17.258 flat angles C4'-P-C4' energy: -16.360 flat angles P-C4'-P energy: -13.259 tors. eta vs tors. theta energy: -22.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -172.051568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.051568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.051568 (E_RNA) where: Base-Base interactions energy: -94.861 where: short stacking energy: -94.845 Base-Backbone interact. energy: -1.072 local terms energy: -76.118488 where: bonds (distance) C4'-P energy: -13.033 bonds (distance) P-C4' energy: -19.686 flat angles C4'-P-C4' energy: -14.137 flat angles P-C4'-P energy: -12.883 tors. eta vs tors. theta energy: -16.380 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: 349 Temperature: 1.050000 Total energy: -184.196194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.196194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.196194 (E_RNA) where: Base-Base interactions energy: -98.395 where: short stacking energy: -98.395 Base-Backbone interact. energy: -0.322 local terms energy: -85.479530 where: bonds (distance) C4'-P energy: -18.843 bonds (distance) P-C4' energy: -19.622 flat angles C4'-P-C4' energy: -17.069 flat angles P-C4'-P energy: -11.631 tors. eta vs tors. theta energy: -18.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -164.182946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.182946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.182946 (E_RNA) where: Base-Base interactions energy: -85.915 where: short stacking energy: -85.915 Base-Backbone interact. energy: -0.493 local terms energy: -77.774819 where: bonds (distance) C4'-P energy: -14.704 bonds (distance) P-C4' energy: -17.646 flat angles C4'-P-C4' energy: -18.705 flat angles P-C4'-P energy: -10.010 tors. eta vs tors. theta energy: -16.709 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: 6, replica: 1 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -155.924012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.924012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.924012 (E_RNA) where: Base-Base interactions energy: -83.727 where: short stacking energy: -82.556 Base-Backbone interact. energy: -0.006 local terms energy: -72.191144 where: bonds (distance) C4'-P energy: -10.783 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -15.836 flat angles P-C4'-P energy: -13.986 tors. eta vs tors. theta energy: -18.572 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: 7, replica: 3 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -136.271242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.271242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.271242 (E_RNA) where: Base-Base interactions energy: -62.701 where: short stacking energy: -61.149 Base-Backbone interact. energy: -0.540 local terms energy: -73.030347 where: bonds (distance) C4'-P energy: -18.579 bonds (distance) P-C4' energy: -12.762 flat angles C4'-P-C4' energy: -17.921 flat angles P-C4'-P energy: -9.370 tors. eta vs tors. theta energy: -14.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -123.301480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.301480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.301480 (E_RNA) where: Base-Base interactions energy: -56.979 where: short stacking energy: -54.842 Base-Backbone interact. energy: -0.668 local terms energy: -65.654048 where: bonds (distance) C4'-P energy: -15.376 bonds (distance) P-C4' energy: -15.552 flat angles C4'-P-C4' energy: -16.504 flat angles P-C4'-P energy: -10.933 tors. eta vs tors. theta energy: -7.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -117.816746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.816746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.816746 (E_RNA) where: Base-Base interactions energy: -58.639 where: short stacking energy: -58.639 Base-Backbone interact. energy: -0.001 local terms energy: -59.176292 where: bonds (distance) C4'-P energy: -9.730 bonds (distance) P-C4' energy: -18.918 flat angles C4'-P-C4' energy: -17.479 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -7.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -110.847426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.847426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.847426 (E_RNA) where: Base-Base interactions energy: -51.992 where: short stacking energy: -51.880 Base-Backbone interact. energy: -0.222 local terms energy: -58.633712 where: bonds (distance) C4'-P energy: -12.814 bonds (distance) P-C4' energy: -17.682 flat angles C4'-P-C4' energy: -15.297 flat angles P-C4'-P energy: -10.202 tors. eta vs tors. theta energy: -2.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -222.074569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.074569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.074569 (E_RNA) where: Base-Base interactions energy: -122.164 where: short stacking energy: -122.164 Base-Backbone interact. energy: -0.293 local terms energy: -99.617835 where: bonds (distance) C4'-P energy: -17.173 bonds (distance) P-C4' energy: -21.369 flat angles C4'-P-C4' energy: -20.261 flat angles P-C4'-P energy: -13.347 tors. eta vs tors. theta energy: -27.467 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: 7 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -211.661901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.661901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.661901 (E_RNA) where: Base-Base interactions energy: -117.717 where: short stacking energy: -117.717 Base-Backbone interact. energy: -0.001 local terms energy: -93.943706 where: bonds (distance) C4'-P energy: -20.215 bonds (distance) P-C4' energy: -14.834 flat angles C4'-P-C4' energy: -16.618 flat angles P-C4'-P energy: -12.618 tors. eta vs tors. theta energy: -29.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -193.965702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.965702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.965702 (E_RNA) where: Base-Base interactions energy: -106.573 where: short stacking energy: -106.573 Base-Backbone interact. energy: -0.017 local terms energy: -87.376357 where: bonds (distance) C4'-P energy: -18.235 bonds (distance) P-C4' energy: -16.500 flat angles C4'-P-C4' energy: -18.123 flat angles P-C4'-P energy: -11.879 tors. eta vs tors. theta energy: -22.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -186.797000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.797000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.797000 (E_RNA) where: Base-Base interactions energy: -97.633 where: short stacking energy: -97.633 Base-Backbone interact. energy: -0.112 local terms energy: -89.052071 where: bonds (distance) C4'-P energy: -13.994 bonds (distance) P-C4' energy: -18.392 flat angles C4'-P-C4' energy: -21.594 flat angles P-C4'-P energy: -10.099 tors. eta vs tors. theta energy: -24.973 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: 1 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -174.401523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.401523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.401523 (E_RNA) where: Base-Base interactions energy: -93.275 where: short stacking energy: -93.275 Base-Backbone interact. energy: -0.109 local terms energy: -81.017830 where: bonds (distance) C4'-P energy: -18.783 bonds (distance) P-C4' energy: -12.273 flat angles C4'-P-C4' energy: -17.522 flat angles P-C4'-P energy: -9.876 tors. eta vs tors. theta energy: -22.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -144.530438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.530438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.530438 (E_RNA) where: Base-Base interactions energy: -77.216 where: short stacking energy: -77.216 Base-Backbone interact. energy: -0.123 local terms energy: -67.191616 where: bonds (distance) C4'-P energy: -15.273 bonds (distance) P-C4' energy: -11.151 flat angles C4'-P-C4' energy: -17.687 flat angles P-C4'-P energy: -10.719 tors. eta vs tors. theta energy: -12.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -163.352698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.352698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.352698 (E_RNA) where: Base-Base interactions energy: -76.343 where: short stacking energy: -78.243 Base-Backbone interact. energy: -2.062 local terms energy: -84.946845 where: bonds (distance) C4'-P energy: -16.643 bonds (distance) P-C4' energy: -20.626 flat angles C4'-P-C4' energy: -19.640 flat angles P-C4'-P energy: -12.535 tors. eta vs tors. theta energy: -15.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -164.603053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.603053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.603053 (E_RNA) where: Base-Base interactions energy: -95.132 where: short stacking energy: -95.132 Base-Backbone interact. energy: -0.001 local terms energy: -69.470840 where: bonds (distance) C4'-P energy: -11.565 bonds (distance) P-C4' energy: -11.904 flat angles C4'-P-C4' energy: -19.126 flat angles P-C4'-P energy: -8.461 tors. eta vs tors. theta energy: -18.414 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: 350 Temperature: 1.300000 Total energy: -127.511362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.511362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.511362 (E_RNA) where: Base-Base interactions energy: -61.938 where: short stacking energy: -61.938 Base-Backbone interact. energy: 0.175 local terms energy: -65.748457 where: bonds (distance) C4'-P energy: -16.407 bonds (distance) P-C4' energy: -16.757 flat angles C4'-P-C4' energy: -15.235 flat angles P-C4'-P energy: -13.824 tors. eta vs tors. theta energy: -3.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -109.103462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.103462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.103462 (E_RNA) where: Base-Base interactions energy: -47.538 where: short stacking energy: -47.538 Base-Backbone interact. energy: 0.487 local terms energy: -62.051551 where: bonds (distance) C4'-P energy: -10.801 bonds (distance) P-C4' energy: -20.795 flat angles C4'-P-C4' energy: -15.043 flat angles P-C4'-P energy: -13.192 tors. eta vs tors. theta energy: -2.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -220.594468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.594468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.594468 (E_RNA) where: Base-Base interactions energy: -124.556 where: short stacking energy: -124.556 Base-Backbone interact. energy: -0.000 local terms energy: -96.038187 where: bonds (distance) C4'-P energy: -17.650 bonds (distance) P-C4' energy: -19.360 flat angles C4'-P-C4' energy: -20.449 flat angles P-C4'-P energy: -11.549 tors. eta vs tors. theta energy: -27.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -201.274861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.274861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.274861 (E_RNA) where: Base-Base interactions energy: -109.151 where: short stacking energy: -109.151 Base-Backbone interact. energy: -0.373 local terms energy: -91.750688 where: bonds (distance) C4'-P energy: -17.255 bonds (distance) P-C4' energy: -17.004 flat angles C4'-P-C4' energy: -19.946 flat angles P-C4'-P energy: -14.095 tors. eta vs tors. theta energy: -23.451 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: 7 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -200.716672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.716672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.716672 (E_RNA) where: Base-Base interactions energy: -106.917 where: short stacking energy: -106.917 Base-Backbone interact. energy: -0.097 local terms energy: -93.702002 where: bonds (distance) C4'-P energy: -18.134 bonds (distance) P-C4' energy: -19.253 flat angles C4'-P-C4' energy: -19.124 flat angles P-C4'-P energy: -14.726 tors. eta vs tors. theta energy: -22.464 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: 1 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -187.467113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.467113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.467113 (E_RNA) where: Base-Base interactions energy: -103.592 where: short stacking energy: -103.592 Base-Backbone interact. energy: -0.001 local terms energy: -83.873827 where: bonds (distance) C4'-P energy: -15.529 bonds (distance) P-C4' energy: -10.242 flat angles C4'-P-C4' energy: -22.432 flat angles P-C4'-P energy: -9.483 tors. eta vs tors. theta energy: -26.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -176.998999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.998999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.998999 (E_RNA) where: Base-Base interactions energy: -82.968 where: short stacking energy: -82.968 Base-Backbone interact. energy: -0.053 local terms energy: -93.977894 where: bonds (distance) C4'-P energy: -19.403 bonds (distance) P-C4' energy: -23.139 flat angles C4'-P-C4' energy: -20.445 flat angles P-C4'-P energy: -13.163 tors. eta vs tors. theta energy: -17.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -164.104491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.104491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.104491 (E_RNA) where: Base-Base interactions energy: -89.083 where: short stacking energy: -89.083 Base-Backbone interact. energy: -0.002 local terms energy: -75.018658 where: bonds (distance) C4'-P energy: -14.224 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -17.001 flat angles P-C4'-P energy: -11.838 tors. eta vs tors. theta energy: -18.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -153.092427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.092427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.092427 (E_RNA) where: Base-Base interactions energy: -75.998 where: short stacking energy: -75.326 Base-Backbone interact. energy: -0.272 local terms energy: -76.822336 where: bonds (distance) C4'-P energy: -19.193 bonds (distance) P-C4' energy: -20.862 flat angles C4'-P-C4' energy: -15.078 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -15.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -118.006383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.006383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.006383 (E_RNA) where: Base-Base interactions energy: -61.979 where: short stacking energy: -57.142 Base-Backbone interact. energy: -0.812 local terms energy: -55.215927 where: bonds (distance) C4'-P energy: -17.218 bonds (distance) P-C4' energy: -8.852 flat angles C4'-P-C4' energy: -13.436 flat angles P-C4'-P energy: -8.562 tors. eta vs tors. theta energy: -7.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -110.630218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.630218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.630218 (E_RNA) where: Base-Base interactions energy: -55.284 where: short stacking energy: -55.284 Base-Backbone interact. energy: 2.090 local terms energy: -57.436299 where: bonds (distance) C4'-P energy: -19.536 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -13.342 flat angles P-C4'-P energy: -7.576 tors. eta vs tors. theta energy: -5.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -106.095888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.095888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.095888 (E_RNA) where: Base-Base interactions energy: -45.128 where: short stacking energy: -47.724 Base-Backbone interact. energy: -0.773 local terms energy: -60.195668 where: bonds (distance) C4'-P energy: -18.653 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -12.346 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: 1, replica: 2 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -217.923428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.923428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.923428 (E_RNA) where: Base-Base interactions energy: -118.766 where: short stacking energy: -118.766 Base-Backbone interact. energy: -0.000 local terms energy: -99.157183 where: bonds (distance) C4'-P energy: -17.734 bonds (distance) P-C4' energy: -16.918 flat angles C4'-P-C4' energy: -21.566 flat angles P-C4'-P energy: -14.468 tors. eta vs tors. theta energy: -28.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -193.594801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.594801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.594801 (E_RNA) where: Base-Base interactions energy: -100.843 where: short stacking energy: -100.614 Base-Backbone interact. energy: -1.417 local terms energy: -91.335342 where: bonds (distance) C4'-P energy: -15.134 bonds (distance) P-C4' energy: -21.089 flat angles C4'-P-C4' energy: -18.110 flat angles P-C4'-P energy: -12.999 tors. eta vs tors. theta energy: -24.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -212.073912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.073912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.073912 (E_RNA) where: Base-Base interactions energy: -112.861 where: short stacking energy: -112.861 Base-Backbone interact. energy: -0.001 local terms energy: -99.211879 where: bonds (distance) C4'-P energy: -20.121 bonds (distance) P-C4' energy: -20.846 flat angles C4'-P-C4' energy: -20.971 flat angles P-C4'-P energy: -12.053 tors. eta vs tors. theta energy: -25.220 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: 1 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -172.754749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.754749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.754749 (E_RNA) where: Base-Base interactions energy: -93.523 where: short stacking energy: -93.523 Base-Backbone interact. energy: -0.095 local terms energy: -79.136559 where: bonds (distance) C4'-P energy: -15.016 bonds (distance) P-C4' energy: -16.570 flat angles C4'-P-C4' energy: -18.133 flat angles P-C4'-P energy: -11.573 tors. eta vs tors. theta energy: -17.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -183.165017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.165017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.165017 (E_RNA) where: Base-Base interactions energy: -97.261 where: short stacking energy: -97.261 Base-Backbone interact. energy: -0.051 local terms energy: -85.853705 where: bonds (distance) C4'-P energy: -18.247 bonds (distance) P-C4' energy: -20.522 flat angles C4'-P-C4' energy: -12.803 flat angles P-C4'-P energy: -9.237 tors. eta vs tors. theta energy: -25.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -150.627086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.627086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.627086 (E_RNA) where: Base-Base interactions energy: -83.162 where: short stacking energy: -83.162 Base-Backbone interact. energy: -0.127 local terms energy: -67.338111 where: bonds (distance) C4'-P energy: -14.653 bonds (distance) P-C4' energy: -16.543 flat angles C4'-P-C4' energy: -16.058 flat angles P-C4'-P energy: -7.847 tors. eta vs tors. theta energy: -12.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -141.073169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.073169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.073169 (E_RNA) where: Base-Base interactions energy: -72.312 where: short stacking energy: -72.312 Base-Backbone interact. energy: -0.106 local terms energy: -68.654696 where: bonds (distance) C4'-P energy: -10.477 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -19.586 flat angles P-C4'-P energy: -9.329 tors. eta vs tors. theta energy: -15.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -161.001039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.001039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.001039 (E_RNA) where: Base-Base interactions energy: -83.933 where: short stacking energy: -83.933 Base-Backbone interact. energy: -0.005 local terms energy: -77.062849 where: bonds (distance) C4'-P energy: -15.553 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -19.777 flat angles P-C4'-P energy: -10.514 tors. eta vs tors. theta energy: -23.194 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: 10 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -125.583624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.583624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.583624 (E_RNA) where: Base-Base interactions energy: -67.782 where: short stacking energy: -67.782 Base-Backbone interact. energy: -0.722 local terms energy: -57.079206 where: bonds (distance) C4'-P energy: -13.105 bonds (distance) P-C4' energy: -13.595 flat angles C4'-P-C4' energy: -14.181 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -12.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -111.119127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.119127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.119127 (E_RNA) where: Base-Base interactions energy: -48.558 where: short stacking energy: -48.321 Base-Backbone interact. energy: -0.144 local terms energy: -62.416836 where: bonds (distance) C4'-P energy: -12.243 bonds (distance) P-C4' energy: -15.119 flat angles C4'-P-C4' energy: -14.428 flat angles P-C4'-P energy: -13.229 tors. eta vs tors. theta energy: -7.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -206.932776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.932776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.932776 (E_RNA) where: Base-Base interactions energy: -111.659 where: short stacking energy: -111.659 Base-Backbone interact. energy: -0.041 local terms energy: -95.232054 where: bonds (distance) C4'-P energy: -19.044 bonds (distance) P-C4' energy: -18.687 flat angles C4'-P-C4' energy: -18.715 flat angles P-C4'-P energy: -13.662 tors. eta vs tors. theta energy: -25.123 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: 4 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -200.287219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.287219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.287219 (E_RNA) where: Base-Base interactions energy: -106.479 where: short stacking energy: -106.479 Base-Backbone interact. energy: -0.079 local terms energy: -93.729150 where: bonds (distance) C4'-P energy: -19.163 bonds (distance) P-C4' energy: -18.522 flat angles C4'-P-C4' energy: -19.717 flat angles P-C4'-P energy: -11.725 tors. eta vs tors. theta energy: -24.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -194.204294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.204294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.204294 (E_RNA) where: Base-Base interactions energy: -103.285 where: short stacking energy: -103.285 Base-Backbone interact. energy: -0.014 local terms energy: -90.905667 where: bonds (distance) C4'-P energy: -17.176 bonds (distance) P-C4' energy: -20.179 flat angles C4'-P-C4' energy: -17.131 flat angles P-C4'-P energy: -12.493 tors. eta vs tors. theta energy: -23.927 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: 6 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -180.238924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.238924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.238924 (E_RNA) where: Base-Base interactions energy: -95.274 where: short stacking energy: -95.274 Base-Backbone interact. energy: -0.011 local terms energy: -84.954020 where: bonds (distance) C4'-P energy: -14.722 bonds (distance) P-C4' energy: -19.161 flat angles C4'-P-C4' energy: -18.141 flat angles P-C4'-P energy: -12.355 tors. eta vs tors. theta energy: -20.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -172.370948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.370948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.370948 (E_RNA) where: Base-Base interactions energy: -90.563 where: short stacking energy: -90.563 Base-Backbone interact. energy: 0.264 local terms energy: -82.071660 where: bonds (distance) C4'-P energy: -17.620 bonds (distance) P-C4' energy: -16.467 flat angles C4'-P-C4' energy: -14.963 flat angles P-C4'-P energy: -13.015 tors. eta vs tors. theta energy: -20.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -152.363854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.363854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.363854 (E_RNA) where: Base-Base interactions energy: -69.795 where: short stacking energy: -69.795 Base-Backbone interact. energy: -0.005 local terms energy: -82.564452 where: bonds (distance) C4'-P energy: -18.121 bonds (distance) P-C4' energy: -17.615 flat angles C4'-P-C4' energy: -19.446 flat angles P-C4'-P energy: -14.207 tors. eta vs tors. theta energy: -13.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -146.992393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.992393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.992393 (E_RNA) where: Base-Base interactions energy: -69.844 where: short stacking energy: -69.844 Base-Backbone interact. energy: -0.081 local terms energy: -77.067564 where: bonds (distance) C4'-P energy: -15.441 bonds (distance) P-C4' energy: -19.292 flat angles C4'-P-C4' energy: -18.284 flat angles P-C4'-P energy: -6.978 tors. eta vs tors. theta energy: -17.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -143.664876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.664876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.664876 (E_RNA) where: Base-Base interactions energy: -72.260 where: short stacking energy: -72.260 Base-Backbone interact. energy: -0.009 local terms energy: -71.395775 where: bonds (distance) C4'-P energy: -12.581 bonds (distance) P-C4' energy: -20.105 flat angles C4'-P-C4' energy: -15.336 flat angles P-C4'-P energy: -10.114 tors. eta vs tors. theta energy: -13.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -142.564922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.564922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.564922 (E_RNA) where: Base-Base interactions energy: -65.562 where: short stacking energy: -65.562 Base-Backbone interact. energy: -0.074 local terms energy: -76.929289 where: bonds (distance) C4'-P energy: -18.116 bonds (distance) P-C4' energy: -14.200 flat angles C4'-P-C4' energy: -17.543 flat angles P-C4'-P energy: -13.138 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: 10, replica: 3 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -128.752470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.752470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.752470 (E_RNA) where: Base-Base interactions energy: -65.359 where: short stacking energy: -65.359 Base-Backbone interact. energy: -0.054 local terms energy: -63.340000 where: bonds (distance) C4'-P energy: -13.421 bonds (distance) P-C4' energy: -19.063 flat angles C4'-P-C4' energy: -11.601 flat angles P-C4'-P energy: -8.909 tors. eta vs tors. theta energy: -10.345 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: 4 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -214.406972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.406972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.406972 (E_RNA) where: Base-Base interactions energy: -111.771 where: short stacking energy: -111.771 Base-Backbone interact. energy: -0.118 local terms energy: -102.517574 where: bonds (distance) C4'-P energy: -20.692 bonds (distance) P-C4' energy: -20.852 flat angles C4'-P-C4' energy: -20.691 flat angles P-C4'-P energy: -12.224 tors. eta vs tors. theta energy: -28.059 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: 2 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -207.655268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.655268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.655268 (E_RNA) where: Base-Base interactions energy: -117.294 where: short stacking energy: -117.294 Base-Backbone interact. energy: 0.002 local terms energy: -90.362739 where: bonds (distance) C4'-P energy: -16.509 bonds (distance) P-C4' energy: -14.194 flat angles C4'-P-C4' energy: -20.515 flat angles P-C4'-P energy: -10.922 tors. eta vs tors. theta energy: -28.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -194.909538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.909538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.909538 (E_RNA) where: Base-Base interactions energy: -106.392 where: short stacking energy: -106.392 Base-Backbone interact. energy: -0.537 local terms energy: -87.980005 where: bonds (distance) C4'-P energy: -17.721 bonds (distance) P-C4' energy: -14.686 flat angles C4'-P-C4' energy: -16.875 flat angles P-C4'-P energy: -13.516 tors. eta vs tors. theta energy: -25.182 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: 354 Temperature: 1.050000 Total energy: -182.121103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.121103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.121103 (E_RNA) where: Base-Base interactions energy: -98.521 where: short stacking energy: -98.521 Base-Backbone interact. energy: -0.016 local terms energy: -83.584733 where: bonds (distance) C4'-P energy: -18.915 bonds (distance) P-C4' energy: -18.247 flat angles C4'-P-C4' energy: -14.500 flat angles P-C4'-P energy: -10.741 tors. eta vs tors. theta energy: -21.181 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: 9 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -157.386103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.386103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.386103 (E_RNA) where: Base-Base interactions energy: -85.040 where: short stacking energy: -85.040 Base-Backbone interact. energy: -0.017 local terms energy: -72.329282 where: bonds (distance) C4'-P energy: -16.303 bonds (distance) P-C4' energy: -18.133 flat angles C4'-P-C4' energy: -15.656 flat angles P-C4'-P energy: -9.428 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: 6, replica: 1 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -132.010186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.010186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.010186 (E_RNA) where: Base-Base interactions energy: -62.185 where: short stacking energy: -61.942 Base-Backbone interact. energy: -0.294 local terms energy: -69.531420 where: bonds (distance) C4'-P energy: -21.847 bonds (distance) P-C4' energy: -15.864 flat angles C4'-P-C4' energy: -16.148 flat angles P-C4'-P energy: -9.408 tors. eta vs tors. theta energy: -6.264 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: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -140.843892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.843892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.843892 (E_RNA) where: Base-Base interactions energy: -77.285 where: short stacking energy: -77.285 Base-Backbone interact. energy: -0.182 local terms energy: -63.376001 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -17.772 flat angles C4'-P-C4' energy: -14.944 flat angles P-C4'-P energy: -8.749 tors. eta vs tors. theta energy: -13.878 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: 354 Temperature: 1.250000 Total energy: -127.436364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.436364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.436364 (E_RNA) where: Base-Base interactions energy: -65.693 where: short stacking energy: -65.989 Base-Backbone interact. energy: -0.195 local terms energy: -61.547834 where: bonds (distance) C4'-P energy: -14.395 bonds (distance) P-C4' energy: -18.698 flat angles C4'-P-C4' energy: -12.248 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -11.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -120.117867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.117867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.117867 (E_RNA) where: Base-Base interactions energy: -62.823 where: short stacking energy: -62.823 Base-Backbone interact. energy: -0.079 local terms energy: -57.215464 where: bonds (distance) C4'-P energy: -10.597 bonds (distance) P-C4' energy: -10.967 flat angles C4'-P-C4' energy: -18.881 flat angles P-C4'-P energy: -7.195 tors. eta vs tors. theta energy: -9.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -113.613560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.613560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.613560 (E_RNA) where: Base-Base interactions energy: -50.975 where: short stacking energy: -50.884 Base-Backbone interact. energy: -1.800 local terms energy: -60.838057 where: bonds (distance) C4'-P energy: -16.617 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -16.289 flat angles P-C4'-P energy: -8.920 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: 4 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -211.944452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.944452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.944452 (E_RNA) where: Base-Base interactions energy: -121.761 where: short stacking energy: -121.761 Base-Backbone interact. energy: -0.000 local terms energy: -90.183444 where: bonds (distance) C4'-P energy: -15.434 bonds (distance) P-C4' energy: -16.898 flat angles C4'-P-C4' energy: -17.666 flat angles P-C4'-P energy: -11.621 tors. eta vs tors. theta energy: -28.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -177.734133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.734133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.734133 (E_RNA) where: Base-Base interactions energy: -90.598 where: short stacking energy: -90.598 Base-Backbone interact. energy: -0.113 local terms energy: -87.023174 where: bonds (distance) C4'-P energy: -17.884 bonds (distance) P-C4' energy: -19.903 flat angles C4'-P-C4' energy: -16.806 flat angles P-C4'-P energy: -13.963 tors. eta vs tors. theta energy: -18.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -216.739475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.739475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.739475 (E_RNA) where: Base-Base interactions energy: -119.101 where: short stacking energy: -119.101 Base-Backbone interact. energy: -0.000 local terms energy: -97.638188 where: bonds (distance) C4'-P energy: -16.125 bonds (distance) P-C4' energy: -20.562 flat angles C4'-P-C4' energy: -20.904 flat angles P-C4'-P energy: -10.254 tors. eta vs tors. theta energy: -29.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -161.225016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.225016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.225016 (E_RNA) where: Base-Base interactions energy: -83.059 where: short stacking energy: -83.059 Base-Backbone interact. energy: -0.064 local terms energy: -78.102066 where: bonds (distance) C4'-P energy: -17.362 bonds (distance) P-C4' energy: -17.648 flat angles C4'-P-C4' energy: -14.571 flat angles P-C4'-P energy: -13.391 tors. eta vs tors. theta energy: -15.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -169.101159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.101159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.101159 (E_RNA) where: Base-Base interactions energy: -85.062 where: short stacking energy: -85.062 Base-Backbone interact. energy: -0.158 local terms energy: -83.881047 where: bonds (distance) C4'-P energy: -22.061 bonds (distance) P-C4' energy: -15.382 flat angles C4'-P-C4' energy: -17.519 flat angles P-C4'-P energy: -12.342 tors. eta vs tors. theta energy: -16.577 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: 6, replica: 5 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -136.398692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.398692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.398692 (E_RNA) where: Base-Base interactions energy: -65.616 where: short stacking energy: -65.616 Base-Backbone interact. energy: 0.678 local terms energy: -71.460761 where: bonds (distance) C4'-P energy: -15.967 bonds (distance) P-C4' energy: -18.693 flat angles C4'-P-C4' energy: -15.016 flat angles P-C4'-P energy: -10.174 tors. eta vs tors. theta energy: -11.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -177.744323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.744323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.744323 (E_RNA) where: Base-Base interactions energy: -94.559 where: short stacking energy: -94.559 Base-Backbone interact. energy: -0.000 local terms energy: -83.185660 where: bonds (distance) C4'-P energy: -19.137 bonds (distance) P-C4' energy: -16.601 flat angles C4'-P-C4' energy: -16.254 flat angles P-C4'-P energy: -7.751 tors. eta vs tors. theta energy: -23.443 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: 10 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -129.891577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.891577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.891577 (E_RNA) where: Base-Base interactions energy: -65.134 where: short stacking energy: -65.063 Base-Backbone interact. energy: -0.127 local terms energy: -64.630892 where: bonds (distance) C4'-P energy: -14.979 bonds (distance) P-C4' energy: -17.856 flat angles C4'-P-C4' energy: -11.952 flat angles P-C4'-P energy: -10.567 tors. eta vs tors. theta energy: -9.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -117.490557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.490557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.490557 (E_RNA) where: Base-Base interactions energy: -44.220 where: short stacking energy: -41.823 Base-Backbone interact. energy: -0.011 local terms energy: -73.258908 where: bonds (distance) C4'-P energy: -17.508 bonds (distance) P-C4' energy: -15.881 flat angles C4'-P-C4' energy: -15.952 flat angles P-C4'-P energy: -10.463 tors. eta vs tors. theta energy: -13.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -134.211500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.211500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.211500 (E_RNA) where: Base-Base interactions energy: -65.301 where: short stacking energy: -60.516 Base-Backbone interact. energy: -0.742 local terms energy: -68.168050 where: bonds (distance) C4'-P energy: -15.148 bonds (distance) P-C4' energy: -16.517 flat angles C4'-P-C4' energy: -14.573 flat angles P-C4'-P energy: -11.189 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: 1, replica: 4 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -212.393627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.393627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.393627 (E_RNA) where: Base-Base interactions energy: -122.756 where: short stacking energy: -122.756 Base-Backbone interact. energy: -0.400 local terms energy: -89.236827 where: bonds (distance) C4'-P energy: -15.743 bonds (distance) P-C4' energy: -17.055 flat angles C4'-P-C4' energy: -17.610 flat angles P-C4'-P energy: -11.610 tors. eta vs tors. theta energy: -27.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -167.045764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.045764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.045764 (E_RNA) where: Base-Base interactions energy: -86.817 where: short stacking energy: -87.017 Base-Backbone interact. energy: 0.855 local terms energy: -81.084087 where: bonds (distance) C4'-P energy: -18.232 bonds (distance) P-C4' energy: -17.494 flat angles C4'-P-C4' energy: -18.537 flat angles P-C4'-P energy: -10.686 tors. eta vs tors. theta energy: -16.135 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: 2 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -215.693167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.693167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.693167 (E_RNA) where: Base-Base interactions energy: -119.675 where: short stacking energy: -119.675 Base-Backbone interact. energy: -0.000 local terms energy: -96.018177 where: bonds (distance) C4'-P energy: -14.778 bonds (distance) P-C4' energy: -18.991 flat angles C4'-P-C4' energy: -18.640 flat angles P-C4'-P energy: -13.929 tors. eta vs tors. theta energy: -29.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -169.992583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.992583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.992583 (E_RNA) where: Base-Base interactions energy: -87.971 where: short stacking energy: -87.841 Base-Backbone interact. energy: -0.043 local terms energy: -81.978698 where: bonds (distance) C4'-P energy: -19.072 bonds (distance) P-C4' energy: -10.476 flat angles C4'-P-C4' energy: -17.383 flat angles P-C4'-P energy: -16.097 tors. eta vs tors. theta energy: -18.951 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: 5 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -139.888259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.888259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.888259 (E_RNA) where: Base-Base interactions energy: -61.862 where: short stacking energy: -61.862 Base-Backbone interact. energy: -0.444 local terms energy: -77.581934 where: bonds (distance) C4'-P energy: -17.419 bonds (distance) P-C4' energy: -20.275 flat angles C4'-P-C4' energy: -18.713 flat angles P-C4'-P energy: -10.222 tors. eta vs tors. theta energy: -10.953 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: 9 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -142.423074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.423074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.423074 (E_RNA) where: Base-Base interactions energy: -67.667 where: short stacking energy: -67.667 Base-Backbone interact. energy: -0.048 local terms energy: -74.708264 where: bonds (distance) C4'-P energy: -17.781 bonds (distance) P-C4' energy: -17.253 flat angles C4'-P-C4' energy: -14.708 flat angles P-C4'-P energy: -15.705 tors. eta vs tors. theta energy: -9.261 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: 7, replica: 10 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -133.946096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.946096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.946096 (E_RNA) where: Base-Base interactions energy: -65.890 where: short stacking energy: -65.890 Base-Backbone interact. energy: 0.910 local terms energy: -68.966128 where: bonds (distance) C4'-P energy: -14.389 bonds (distance) P-C4' energy: -11.404 flat angles C4'-P-C4' energy: -17.759 flat angles P-C4'-P energy: -14.792 tors. eta vs tors. theta energy: -10.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -160.871863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.871863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.871863 (E_RNA) where: Base-Base interactions energy: -90.236 where: short stacking energy: -90.236 Base-Backbone interact. energy: -0.002 local terms energy: -70.633754 where: bonds (distance) C4'-P energy: -10.346 bonds (distance) P-C4' energy: -16.085 flat angles C4'-P-C4' energy: -11.173 flat angles P-C4'-P energy: -12.690 tors. eta vs tors. theta energy: -20.340 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: 8 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -141.452194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.452194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.452194 (E_RNA) where: Base-Base interactions energy: -73.361 where: short stacking energy: -73.361 Base-Backbone interact. energy: -0.150 local terms energy: -67.940719 where: bonds (distance) C4'-P energy: -15.440 bonds (distance) P-C4' energy: -13.986 flat angles C4'-P-C4' energy: -16.966 flat angles P-C4'-P energy: -9.293 tors. eta vs tors. theta energy: -12.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -121.801608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.801608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.801608 (E_RNA) where: Base-Base interactions energy: -57.873 where: short stacking energy: -57.873 Base-Backbone interact. energy: 0.949 local terms energy: -64.876965 where: bonds (distance) C4'-P energy: -13.234 bonds (distance) P-C4' energy: -15.656 flat angles C4'-P-C4' energy: -20.321 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: -8.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -223.777291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.777291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.777291 (E_RNA) where: Base-Base interactions energy: -124.608 where: short stacking energy: -124.608 Base-Backbone interact. energy: -0.000 local terms energy: -99.169139 where: bonds (distance) C4'-P energy: -20.894 bonds (distance) P-C4' energy: -18.185 flat angles C4'-P-C4' energy: -18.462 flat angles P-C4'-P energy: -10.514 tors. eta vs tors. theta energy: -31.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -215.194596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.194596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.194596 (E_RNA) where: Base-Base interactions energy: -114.399 where: short stacking energy: -114.399 Base-Backbone interact. energy: -0.000 local terms energy: -100.795062 where: bonds (distance) C4'-P energy: -16.262 bonds (distance) P-C4' energy: -20.651 flat angles C4'-P-C4' energy: -20.639 flat angles P-C4'-P energy: -16.821 tors. eta vs tors. theta energy: -26.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -198.554798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.554798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.554798 (E_RNA) where: Base-Base interactions energy: -111.084 where: short stacking energy: -111.084 Base-Backbone interact. energy: -0.051 local terms energy: -87.419299 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -19.145 flat angles C4'-P-C4' energy: -19.651 flat angles P-C4'-P energy: -11.428 tors. eta vs tors. theta energy: -24.586 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: 4, replica: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -163.253798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.253798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.253798 (E_RNA) where: Base-Base interactions energy: -87.944 where: short stacking energy: -87.944 Base-Backbone interact. energy: -0.071 local terms energy: -75.239519 where: bonds (distance) C4'-P energy: -15.089 bonds (distance) P-C4' energy: -17.417 flat angles C4'-P-C4' energy: -14.646 flat angles P-C4'-P energy: -10.475 tors. eta vs tors. theta energy: -17.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -155.289981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.289981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.289981 (E_RNA) where: Base-Base interactions energy: -72.930 where: short stacking energy: -73.084 Base-Backbone interact. energy: -0.606 local terms energy: -81.754135 where: bonds (distance) C4'-P energy: -16.596 bonds (distance) P-C4' energy: -19.087 flat angles C4'-P-C4' energy: -22.297 flat angles P-C4'-P energy: -9.237 tors. eta vs tors. theta energy: -14.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -143.842170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.842170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.842170 (E_RNA) where: Base-Base interactions energy: -68.959 where: short stacking energy: -68.959 Base-Backbone interact. energy: 0.390 local terms energy: -75.272748 where: bonds (distance) C4'-P energy: -17.773 bonds (distance) P-C4' energy: -18.416 flat angles C4'-P-C4' energy: -15.408 flat angles P-C4'-P energy: -12.545 tors. eta vs tors. theta energy: -11.129 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: 10 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -129.000326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.000326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.000326 (E_RNA) where: Base-Base interactions energy: -60.807 where: short stacking energy: -60.807 Base-Backbone interact. energy: -0.170 local terms energy: -68.022910 where: bonds (distance) C4'-P energy: -18.253 bonds (distance) P-C4' energy: -19.790 flat angles C4'-P-C4' energy: -10.827 flat angles P-C4'-P energy: -13.152 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: 8, replica: 8 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -120.376840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.376840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.376840 (E_RNA) where: Base-Base interactions energy: -49.492 where: short stacking energy: -48.770 Base-Backbone interact. energy: -0.129 local terms energy: -70.756438 where: bonds (distance) C4'-P energy: -17.658 bonds (distance) P-C4' energy: -17.938 flat angles C4'-P-C4' energy: -19.108 flat angles P-C4'-P energy: -10.813 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -125.009742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.009742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.009742 (E_RNA) where: Base-Base interactions energy: -62.097 where: short stacking energy: -60.315 Base-Backbone interact. energy: 0.667 local terms energy: -63.580013 where: bonds (distance) C4'-P energy: -15.069 bonds (distance) P-C4' energy: -20.612 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -8.765 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: 10, replica: 3 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -120.738594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.738594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.738594 (E_RNA) where: Base-Base interactions energy: -52.192 where: short stacking energy: -51.409 Base-Backbone interact. energy: -0.100 local terms energy: -68.446447 where: bonds (distance) C4'-P energy: -17.727 bonds (distance) P-C4' energy: -17.809 flat angles C4'-P-C4' energy: -17.339 flat angles P-C4'-P energy: -10.661 tors. eta vs tors. theta energy: -4.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -236.537247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.537247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.537247 (E_RNA) where: Base-Base interactions energy: -128.947 where: short stacking energy: -128.947 Base-Backbone interact. energy: -0.000 local terms energy: -107.589787 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -21.016 flat angles C4'-P-C4' energy: -22.769 flat angles P-C4'-P energy: -16.304 tors. eta vs tors. theta energy: -33.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -211.579491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.579491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.579491 (E_RNA) where: Base-Base interactions energy: -119.205 where: short stacking energy: -119.205 Base-Backbone interact. energy: -0.005 local terms energy: -92.369797 where: bonds (distance) C4'-P energy: -17.396 bonds (distance) P-C4' energy: -14.047 flat angles C4'-P-C4' energy: -20.397 flat angles P-C4'-P energy: -15.894 tors. eta vs tors. theta energy: -24.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -183.660172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.660172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.660172 (E_RNA) where: Base-Base interactions energy: -97.957 where: short stacking energy: -97.957 Base-Backbone interact. energy: 0.252 local terms energy: -85.955340 where: bonds (distance) C4'-P energy: -19.378 bonds (distance) P-C4' energy: -19.513 flat angles C4'-P-C4' energy: -18.330 flat angles P-C4'-P energy: -10.121 tors. eta vs tors. theta energy: -18.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -181.824728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.824728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.824728 (E_RNA) where: Base-Base interactions energy: -95.183 where: short stacking energy: -95.183 Base-Backbone interact. energy: -0.000 local terms energy: -86.641709 where: bonds (distance) C4'-P energy: -15.099 bonds (distance) P-C4' energy: -17.980 flat angles C4'-P-C4' energy: -20.444 flat angles P-C4'-P energy: -12.236 tors. eta vs tors. theta energy: -20.883 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: 5 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -166.020482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.020482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.020482 (E_RNA) where: Base-Base interactions energy: -84.249 where: short stacking energy: -84.249 Base-Backbone interact. energy: 1.101 local terms energy: -82.872250 where: bonds (distance) C4'-P energy: -14.921 bonds (distance) P-C4' energy: -21.031 flat angles C4'-P-C4' energy: -15.517 flat angles P-C4'-P energy: -15.246 tors. eta vs tors. theta energy: -16.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -155.889703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.889703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.889703 (E_RNA) where: Base-Base interactions energy: -76.722 where: short stacking energy: -76.722 Base-Backbone interact. energy: -0.107 local terms energy: -79.060821 where: bonds (distance) C4'-P energy: -17.603 bonds (distance) P-C4' energy: -19.609 flat angles C4'-P-C4' energy: -13.449 flat angles P-C4'-P energy: -12.895 tors. eta vs tors. theta energy: -15.505 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: 7, replica: 10 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -155.384358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.384358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.384358 (E_RNA) where: Base-Base interactions energy: -78.146 where: short stacking energy: -78.146 Base-Backbone interact. energy: -0.000 local terms energy: -77.237771 where: bonds (distance) C4'-P energy: -15.809 bonds (distance) P-C4' energy: -13.182 flat angles C4'-P-C4' energy: -19.536 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -17.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -129.036356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.036356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.036356 (E_RNA) where: Base-Base interactions energy: -55.016 where: short stacking energy: -55.016 Base-Backbone interact. energy: -0.512 local terms energy: -73.507905 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -20.072 flat angles C4'-P-C4' energy: -13.538 flat angles P-C4'-P energy: -14.067 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: 9, replica: 3 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -123.222910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.222910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.222910 (E_RNA) where: Base-Base interactions energy: -64.880 where: short stacking energy: -64.880 Base-Backbone interact. energy: -0.104 local terms energy: -58.238410 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -16.304 flat angles C4'-P-C4' energy: -14.458 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -8.890 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: 1 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -115.429672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.429672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.429672 (E_RNA) where: Base-Base interactions energy: -49.307 where: short stacking energy: -49.328 Base-Backbone interact. energy: -0.124 local terms energy: -65.998958 where: bonds (distance) C4'-P energy: -15.098 bonds (distance) P-C4' energy: -19.779 flat angles C4'-P-C4' energy: -11.100 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -10.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -226.674498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.674498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.674498 (E_RNA) where: Base-Base interactions energy: -120.341 where: short stacking energy: -120.341 Base-Backbone interact. energy: -0.000 local terms energy: -106.333132 where: bonds (distance) C4'-P energy: -18.828 bonds (distance) P-C4' energy: -21.500 flat angles C4'-P-C4' energy: -22.314 flat angles P-C4'-P energy: -15.018 tors. eta vs tors. theta energy: -28.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -203.543737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.543737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.543737 (E_RNA) where: Base-Base interactions energy: -112.575 where: short stacking energy: -112.575 Base-Backbone interact. energy: -0.002 local terms energy: -90.966955 where: bonds (distance) C4'-P energy: -17.053 bonds (distance) P-C4' energy: -20.013 flat angles C4'-P-C4' energy: -17.968 flat angles P-C4'-P energy: -13.322 tors. eta vs tors. theta energy: -22.611 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: 2 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -200.035601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.035601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.035601 (E_RNA) where: Base-Base interactions energy: -101.693 where: short stacking energy: -101.693 Base-Backbone interact. energy: -0.001 local terms energy: -98.341580 where: bonds (distance) C4'-P energy: -19.528 bonds (distance) P-C4' energy: -16.227 flat angles C4'-P-C4' energy: -20.293 flat angles P-C4'-P energy: -17.126 tors. eta vs tors. theta energy: -25.167 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: 359 Temperature: 1.050000 Total energy: -164.630211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.630211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.630211 (E_RNA) where: Base-Base interactions energy: -90.302 where: short stacking energy: -90.302 Base-Backbone interact. energy: -0.172 local terms energy: -74.156161 where: bonds (distance) C4'-P energy: -11.807 bonds (distance) P-C4' energy: -17.006 flat angles C4'-P-C4' energy: -19.683 flat angles P-C4'-P energy: -11.660 tors. eta vs tors. theta energy: -14.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -173.072528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.072528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.072528 (E_RNA) where: Base-Base interactions energy: -88.401 where: short stacking energy: -88.401 Base-Backbone interact. energy: -0.195 local terms energy: -84.476722 where: bonds (distance) C4'-P energy: -19.359 bonds (distance) P-C4' energy: -18.637 flat angles C4'-P-C4' energy: -19.727 flat angles P-C4'-P energy: -8.714 tors. eta vs tors. theta energy: -18.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -147.623282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.623282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.623282 (E_RNA) where: Base-Base interactions energy: -77.800 where: short stacking energy: -77.800 Base-Backbone interact. energy: -0.388 local terms energy: -69.435166 where: bonds (distance) C4'-P energy: -14.581 bonds (distance) P-C4' energy: -11.474 flat angles C4'-P-C4' energy: -19.639 flat angles P-C4'-P energy: -10.169 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: 7, replica: 9 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -142.697869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.697869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.697869 (E_RNA) where: Base-Base interactions energy: -70.743 where: short stacking energy: -70.694 Base-Backbone interact. energy: -0.475 local terms energy: -71.479612 where: bonds (distance) C4'-P energy: -13.164 bonds (distance) P-C4' energy: -15.904 flat angles C4'-P-C4' energy: -15.483 flat angles P-C4'-P energy: -13.723 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: 8, replica: 8 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -136.792427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.792427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.792427 (E_RNA) where: Base-Base interactions energy: -63.274 where: short stacking energy: -62.986 Base-Backbone interact. energy: -1.060 local terms energy: -72.458201 where: bonds (distance) C4'-P energy: -15.383 bonds (distance) P-C4' energy: -22.227 flat angles C4'-P-C4' energy: -13.525 flat angles P-C4'-P energy: -13.970 tors. eta vs tors. theta energy: -7.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -119.308916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.308916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.308916 (E_RNA) where: Base-Base interactions energy: -64.731 where: short stacking energy: -64.731 Base-Backbone interact. energy: -0.475 local terms energy: -54.102357 where: bonds (distance) C4'-P energy: -13.929 bonds (distance) P-C4' energy: -15.587 flat angles C4'-P-C4' energy: -13.129 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -7.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -118.639503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.639503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.639503 (E_RNA) where: Base-Base interactions energy: -59.096 where: short stacking energy: -59.096 Base-Backbone interact. energy: 1.122 local terms energy: -60.665013 where: bonds (distance) C4'-P energy: -15.923 bonds (distance) P-C4' energy: -10.189 flat angles C4'-P-C4' energy: -14.035 flat angles P-C4'-P energy: -12.325 tors. eta vs tors. theta energy: -8.193 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: 1, replica: 6 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -211.179086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.179086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.179086 (E_RNA) where: Base-Base interactions energy: -112.157 where: short stacking energy: -111.590 Base-Backbone interact. energy: -0.046 local terms energy: -98.976191 where: bonds (distance) C4'-P energy: -18.277 bonds (distance) P-C4' energy: -19.335 flat angles C4'-P-C4' energy: -22.166 flat angles P-C4'-P energy: -12.292 tors. eta vs tors. theta energy: -26.907 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: 4 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -212.083235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.083235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.083235 (E_RNA) where: Base-Base interactions energy: -112.471 where: short stacking energy: -112.471 Base-Backbone interact. energy: -0.001 local terms energy: -99.611804 where: bonds (distance) C4'-P energy: -16.201 bonds (distance) P-C4' energy: -20.454 flat angles C4'-P-C4' energy: -20.320 flat angles P-C4'-P energy: -15.355 tors. eta vs tors. theta energy: -27.282 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: 3, replica: 2 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -193.258538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.258538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.258538 (E_RNA) where: Base-Base interactions energy: -107.797 where: short stacking energy: -107.797 Base-Backbone interact. energy: -0.001 local terms energy: -85.459933 where: bonds (distance) C4'-P energy: -15.760 bonds (distance) P-C4' energy: -16.685 flat angles C4'-P-C4' energy: -19.443 flat angles P-C4'-P energy: -9.717 tors. eta vs tors. theta energy: -23.855 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: 5 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -183.755761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.755761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.755761 (E_RNA) where: Base-Base interactions energy: -103.183 where: short stacking energy: -103.183 Base-Backbone interact. energy: -0.011 local terms energy: -80.561659 where: bonds (distance) C4'-P energy: -17.300 bonds (distance) P-C4' energy: -15.332 flat angles C4'-P-C4' energy: -14.919 flat angles P-C4'-P energy: -14.683 tors. eta vs tors. theta energy: -18.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -161.834395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.834395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.834395 (E_RNA) where: Base-Base interactions energy: -84.884 where: short stacking energy: -84.884 Base-Backbone interact. energy: -0.035 local terms energy: -76.914765 where: bonds (distance) C4'-P energy: -17.084 bonds (distance) P-C4' energy: -14.708 flat angles C4'-P-C4' energy: -17.042 flat angles P-C4'-P energy: -9.706 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: 6, replica: 10 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -145.385720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.385720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.385720 (E_RNA) where: Base-Base interactions energy: -71.221 where: short stacking energy: -71.221 Base-Backbone interact. energy: -0.080 local terms energy: -74.084399 where: bonds (distance) C4'-P energy: -14.037 bonds (distance) P-C4' energy: -17.764 flat angles C4'-P-C4' energy: -18.338 flat angles P-C4'-P energy: -11.053 tors. eta vs tors. theta energy: -12.892 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: 9 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -149.408175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.408175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.408175 (E_RNA) where: Base-Base interactions energy: -73.621 where: short stacking energy: -73.621 Base-Backbone interact. energy: 0.046 local terms energy: -75.832834 where: bonds (distance) C4'-P energy: -17.719 bonds (distance) P-C4' energy: -20.930 flat angles C4'-P-C4' energy: -18.369 flat angles P-C4'-P energy: -7.188 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: 8, replica: 8 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -127.319441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.319441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.319441 (E_RNA) where: Base-Base interactions energy: -65.885 where: short stacking energy: -65.885 Base-Backbone interact. energy: 0.210 local terms energy: -61.645026 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -14.489 flat angles C4'-P-C4' energy: -9.310 flat angles P-C4'-P energy: -14.468 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: 9, replica: 1 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -136.230663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.230663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.230663 (E_RNA) where: Base-Base interactions energy: -71.269 where: short stacking energy: -71.025 Base-Backbone interact. energy: -0.114 local terms energy: -64.847868 where: bonds (distance) C4'-P energy: -17.209 bonds (distance) P-C4' energy: -14.546 flat angles C4'-P-C4' energy: -13.247 flat angles P-C4'-P energy: -9.803 tors. eta vs tors. theta energy: -10.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -121.124881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.124881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.124881 (E_RNA) where: Base-Base interactions energy: -54.346 where: short stacking energy: -54.346 Base-Backbone interact. energy: -0.009 local terms energy: -66.770674 where: bonds (distance) C4'-P energy: -16.729 bonds (distance) P-C4' energy: -18.013 flat angles C4'-P-C4' energy: -12.716 flat angles P-C4'-P energy: -7.083 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: 1, replica: 6 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -214.562813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.562813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.562813 (E_RNA) where: Base-Base interactions energy: -120.910 where: short stacking energy: -120.910 Base-Backbone interact. energy: -0.001 local terms energy: -93.651105 where: bonds (distance) C4'-P energy: -18.663 bonds (distance) P-C4' energy: -13.888 flat angles C4'-P-C4' energy: -21.193 flat angles P-C4'-P energy: -13.464 tors. eta vs tors. theta energy: -26.443 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: 4 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -212.003820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.003820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.003820 (E_RNA) where: Base-Base interactions energy: -116.114 where: short stacking energy: -116.114 Base-Backbone interact. energy: -0.000 local terms energy: -95.889884 where: bonds (distance) C4'-P energy: -18.915 bonds (distance) P-C4' energy: -14.232 flat angles C4'-P-C4' energy: -20.850 flat angles P-C4'-P energy: -15.542 tors. eta vs tors. theta energy: -26.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -192.884097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.884097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.884097 (E_RNA) where: Base-Base interactions energy: -101.219 where: short stacking energy: -101.219 Base-Backbone interact. energy: -0.145 local terms energy: -91.520767 where: bonds (distance) C4'-P energy: -17.341 bonds (distance) P-C4' energy: -18.826 flat angles C4'-P-C4' energy: -16.176 flat angles P-C4'-P energy: -15.421 tors. eta vs tors. theta energy: -23.756 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: 7 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -180.028566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.028566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.028566 (E_RNA) where: Base-Base interactions energy: -95.935 where: short stacking energy: -95.935 Base-Backbone interact. energy: -0.142 local terms energy: -83.951015 where: bonds (distance) C4'-P energy: -15.028 bonds (distance) P-C4' energy: -18.027 flat angles C4'-P-C4' energy: -19.015 flat angles P-C4'-P energy: -11.141 tors. eta vs tors. theta energy: -20.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -162.147292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.147292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.147292 (E_RNA) where: Base-Base interactions energy: -85.566 where: short stacking energy: -85.566 Base-Backbone interact. energy: -0.235 local terms energy: -76.346004 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -19.934 flat angles C4'-P-C4' energy: -15.913 flat angles P-C4'-P energy: -13.170 tors. eta vs tors. theta energy: -15.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -167.087715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.087715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.087715 (E_RNA) where: Base-Base interactions energy: -89.001 where: short stacking energy: -89.001 Base-Backbone interact. energy: -0.003 local terms energy: -78.083955 where: bonds (distance) C4'-P energy: -15.644 bonds (distance) P-C4' energy: -17.896 flat angles C4'-P-C4' energy: -9.130 flat angles P-C4'-P energy: -14.817 tors. eta vs tors. theta energy: -20.597 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: 10 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -155.724448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.724448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.724448 (E_RNA) where: Base-Base interactions energy: -77.585 where: short stacking energy: -77.585 Base-Backbone interact. energy: -0.075 local terms energy: -78.063673 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -19.651 flat angles C4'-P-C4' energy: -16.178 flat angles P-C4'-P energy: -12.707 tors. eta vs tors. theta energy: -16.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -147.460776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.460776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.460776 (E_RNA) where: Base-Base interactions energy: -73.974 where: short stacking energy: -73.974 Base-Backbone interact. energy: -0.115 local terms energy: -73.371910 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -18.442 flat angles C4'-P-C4' energy: -17.830 flat angles P-C4'-P energy: -10.485 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: 9, replica: 8 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -146.803692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.803692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.803692 (E_RNA) where: Base-Base interactions energy: -75.331 where: short stacking energy: -75.331 Base-Backbone interact. energy: -0.000 local terms energy: -71.472399 where: bonds (distance) C4'-P energy: -19.092 bonds (distance) P-C4' energy: -13.804 flat angles C4'-P-C4' energy: -16.897 flat angles P-C4'-P energy: -7.789 tors. eta vs tors. theta energy: -13.890 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: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -112.869310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.869310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.869310 (E_RNA) where: Base-Base interactions energy: -54.820 where: short stacking energy: -54.754 Base-Backbone interact. energy: -0.213 local terms energy: -57.836481 where: bonds (distance) C4'-P energy: -18.141 bonds (distance) P-C4' energy: -13.911 flat angles C4'-P-C4' energy: -16.406 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: -4.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -216.821639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.821639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.821639 (E_RNA) where: Base-Base interactions energy: -115.589 where: short stacking energy: -115.589 Base-Backbone interact. energy: -0.005 local terms energy: -101.228235 where: bonds (distance) C4'-P energy: -18.754 bonds (distance) P-C4' energy: -21.120 flat angles C4'-P-C4' energy: -19.523 flat angles P-C4'-P energy: -13.957 tors. eta vs tors. theta energy: -27.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -206.363234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.363234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.363234 (E_RNA) where: Base-Base interactions energy: -115.614 where: short stacking energy: -115.614 Base-Backbone interact. energy: -0.811 local terms energy: -89.938728 where: bonds (distance) C4'-P energy: -17.769 bonds (distance) P-C4' energy: -15.908 flat angles C4'-P-C4' energy: -21.019 flat angles P-C4'-P energy: -11.534 tors. eta vs tors. theta energy: -23.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -187.953022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.953022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.953022 (E_RNA) where: Base-Base interactions energy: -94.722 where: short stacking energy: -94.722 Base-Backbone interact. energy: -0.100 local terms energy: -93.131088 where: bonds (distance) C4'-P energy: -18.581 bonds (distance) P-C4' energy: -19.399 flat angles C4'-P-C4' energy: -20.888 flat angles P-C4'-P energy: -10.698 tors. eta vs tors. theta energy: -23.565 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: 2 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -188.367281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.367281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.367281 (E_RNA) where: Base-Base interactions energy: -104.443 where: short stacking energy: -104.443 Base-Backbone interact. energy: 1.659 local terms energy: -85.584002 where: bonds (distance) C4'-P energy: -16.336 bonds (distance) P-C4' energy: -17.970 flat angles C4'-P-C4' energy: -18.637 flat angles P-C4'-P energy: -10.530 tors. eta vs tors. theta energy: -22.111 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: 9 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -171.029158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.029158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.029158 (E_RNA) where: Base-Base interactions energy: -86.130 where: short stacking energy: -86.130 Base-Backbone interact. energy: -0.003 local terms energy: -84.895490 where: bonds (distance) C4'-P energy: -10.702 bonds (distance) P-C4' energy: -19.536 flat angles C4'-P-C4' energy: -20.426 flat angles P-C4'-P energy: -12.688 tors. eta vs tors. theta energy: -21.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -154.240394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.240394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.240394 (E_RNA) where: Base-Base interactions energy: -83.584 where: short stacking energy: -83.584 Base-Backbone interact. energy: -0.159 local terms energy: -70.497789 where: bonds (distance) C4'-P energy: -12.917 bonds (distance) P-C4' energy: -19.478 flat angles C4'-P-C4' energy: -17.719 flat angles P-C4'-P energy: -9.000 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: 7, replica: 10 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -136.122078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.122078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.122078 (E_RNA) where: Base-Base interactions energy: -67.592 where: short stacking energy: -67.592 Base-Backbone interact. energy: 0.804 local terms energy: -69.334744 where: bonds (distance) C4'-P energy: -15.627 bonds (distance) P-C4' energy: -16.558 flat angles C4'-P-C4' energy: -12.873 flat angles P-C4'-P energy: -10.802 tors. eta vs tors. theta energy: -13.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -121.125533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.125533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.125533 (E_RNA) where: Base-Base interactions energy: -59.400 where: short stacking energy: -59.400 Base-Backbone interact. energy: -0.129 local terms energy: -61.596958 where: bonds (distance) C4'-P energy: -16.842 bonds (distance) P-C4' energy: -17.787 flat angles C4'-P-C4' energy: -13.232 flat angles P-C4'-P energy: -7.753 tors. eta vs tors. theta energy: -5.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -119.499099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.499099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.499099 (E_RNA) where: Base-Base interactions energy: -64.141 where: short stacking energy: -63.920 Base-Backbone interact. energy: -0.273 local terms energy: -55.085027 where: bonds (distance) C4'-P energy: -11.935 bonds (distance) P-C4' energy: -19.164 flat angles C4'-P-C4' energy: -16.128 flat angles P-C4'-P energy: -2.860 tors. eta vs tors. theta energy: -4.998 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: 8 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -106.438190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.438190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.438190 (E_RNA) where: Base-Base interactions energy: -46.364 where: short stacking energy: -46.364 Base-Backbone interact. energy: -0.018 local terms energy: -60.056128 where: bonds (distance) C4'-P energy: -15.554 bonds (distance) P-C4' energy: -19.280 flat angles C4'-P-C4' energy: -11.322 flat angles P-C4'-P energy: -9.764 tors. eta vs tors. theta energy: -4.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -220.806337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.806337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.806337 (E_RNA) where: Base-Base interactions energy: -120.592 where: short stacking energy: -120.592 Base-Backbone interact. energy: -0.343 local terms energy: -99.870993 where: bonds (distance) C4'-P energy: -20.682 bonds (distance) P-C4' energy: -19.906 flat angles C4'-P-C4' energy: -19.598 flat angles P-C4'-P energy: -12.672 tors. eta vs tors. theta energy: -27.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -220.426852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.426852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.426852 (E_RNA) where: Base-Base interactions energy: -119.334 where: short stacking energy: -119.334 Base-Backbone interact. energy: -0.000 local terms energy: -101.092725 where: bonds (distance) C4'-P energy: -19.365 bonds (distance) P-C4' energy: -18.035 flat angles C4'-P-C4' energy: -18.735 flat angles P-C4'-P energy: -15.384 tors. eta vs tors. theta energy: -29.574 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: 7 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -187.945643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.945643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.945643 (E_RNA) where: Base-Base interactions energy: -102.089 where: short stacking energy: -102.089 Base-Backbone interact. energy: -0.038 local terms energy: -85.818505 where: bonds (distance) C4'-P energy: -14.898 bonds (distance) P-C4' energy: -15.818 flat angles C4'-P-C4' energy: -18.807 flat angles P-C4'-P energy: -14.392 tors. eta vs tors. theta energy: -21.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -186.636195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.636195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.636195 (E_RNA) where: Base-Base interactions energy: -100.095 where: short stacking energy: -100.095 Base-Backbone interact. energy: -0.010 local terms energy: -86.531209 where: bonds (distance) C4'-P energy: -14.872 bonds (distance) P-C4' energy: -17.533 flat angles C4'-P-C4' energy: -19.694 flat angles P-C4'-P energy: -11.328 tors. eta vs tors. theta energy: -23.104 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: 9 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -176.409203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.409203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.409203 (E_RNA) where: Base-Base interactions energy: -90.560 where: short stacking energy: -90.560 Base-Backbone interact. energy: -0.017 local terms energy: -85.831961 where: bonds (distance) C4'-P energy: -17.511 bonds (distance) P-C4' energy: -16.241 flat angles C4'-P-C4' energy: -22.372 flat angles P-C4'-P energy: -9.152 tors. eta vs tors. theta energy: -20.556 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: 10 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -162.157528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.157528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.157528 (E_RNA) where: Base-Base interactions energy: -87.903 where: short stacking energy: -87.903 Base-Backbone interact. energy: -0.046 local terms energy: -74.208766 where: bonds (distance) C4'-P energy: -12.586 bonds (distance) P-C4' energy: -10.986 flat angles C4'-P-C4' energy: -21.865 flat angles P-C4'-P energy: -11.672 tors. eta vs tors. theta energy: -17.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -140.693663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.693663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.693663 (E_RNA) where: Base-Base interactions energy: -69.953 where: short stacking energy: -69.953 Base-Backbone interact. energy: -0.125 local terms energy: -70.616058 where: bonds (distance) C4'-P energy: -15.509 bonds (distance) P-C4' energy: -16.678 flat angles C4'-P-C4' energy: -14.062 flat angles P-C4'-P energy: -10.301 tors. eta vs tors. theta energy: -14.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -123.040424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.040424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.040424 (E_RNA) where: Base-Base interactions energy: -57.541 where: short stacking energy: -57.541 Base-Backbone interact. energy: -0.041 local terms energy: -65.458747 where: bonds (distance) C4'-P energy: -13.339 bonds (distance) P-C4' energy: -16.051 flat angles C4'-P-C4' energy: -13.776 flat angles P-C4'-P energy: -14.214 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: 9, replica: 1 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -124.963804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.963804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.963804 (E_RNA) where: Base-Base interactions energy: -65.177 where: short stacking energy: -65.177 Base-Backbone interact. energy: -0.089 local terms energy: -59.697779 where: bonds (distance) C4'-P energy: -16.146 bonds (distance) P-C4' energy: -7.245 flat angles C4'-P-C4' energy: -18.483 flat angles P-C4'-P energy: -9.113 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: 10, replica: 8 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -135.958942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.958942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.958942 (E_RNA) where: Base-Base interactions energy: -57.789 where: short stacking energy: -57.767 Base-Backbone interact. energy: 1.180 local terms energy: -79.349709 where: bonds (distance) C4'-P energy: -13.314 bonds (distance) P-C4' energy: -20.095 flat angles C4'-P-C4' energy: -20.176 flat angles P-C4'-P energy: -14.038 tors. eta vs tors. theta energy: -11.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -215.188910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.188910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.188910 (E_RNA) where: Base-Base interactions energy: -117.385 where: short stacking energy: -117.385 Base-Backbone interact. energy: -0.001 local terms energy: -97.803264 where: bonds (distance) C4'-P energy: -19.287 bonds (distance) P-C4' energy: -17.867 flat angles C4'-P-C4' energy: -19.425 flat angles P-C4'-P energy: -13.845 tors. eta vs tors. theta energy: -27.380 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: 2, replica: 6 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -196.621294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.621294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.621294 (E_RNA) where: Base-Base interactions energy: -104.637 where: short stacking energy: -104.637 Base-Backbone interact. energy: -0.059 local terms energy: -91.925088 where: bonds (distance) C4'-P energy: -15.422 bonds (distance) P-C4' energy: -21.331 flat angles C4'-P-C4' energy: -20.876 flat angles P-C4'-P energy: -13.049 tors. eta vs tors. theta energy: -21.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -196.728174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.728174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.728174 (E_RNA) where: Base-Base interactions energy: -103.568 where: short stacking energy: -101.947 Base-Backbone interact. energy: -0.000 local terms energy: -93.159878 where: bonds (distance) C4'-P energy: -19.607 bonds (distance) P-C4' energy: -18.635 flat angles C4'-P-C4' energy: -19.221 flat angles P-C4'-P energy: -9.357 tors. eta vs tors. theta energy: -26.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -169.893644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.893644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.893644 (E_RNA) where: Base-Base interactions energy: -83.400 where: short stacking energy: -83.400 Base-Backbone interact. energy: -1.225 local terms energy: -85.269003 where: bonds (distance) C4'-P energy: -17.801 bonds (distance) P-C4' energy: -18.696 flat angles C4'-P-C4' energy: -19.099 flat angles P-C4'-P energy: -15.000 tors. eta vs tors. theta energy: -14.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -172.972979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.972979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.972979 (E_RNA) where: Base-Base interactions energy: -84.898 where: short stacking energy: -84.898 Base-Backbone interact. energy: -0.037 local terms energy: -88.038802 where: bonds (distance) C4'-P energy: -17.120 bonds (distance) P-C4' energy: -17.225 flat angles C4'-P-C4' energy: -17.304 flat angles P-C4'-P energy: -13.938 tors. eta vs tors. theta energy: -22.452 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: 364 Temperature: 1.150000 Total energy: -157.935144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.935144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.935144 (E_RNA) where: Base-Base interactions energy: -77.713 where: short stacking energy: -77.839 Base-Backbone interact. energy: -0.086 local terms energy: -80.136333 where: bonds (distance) C4'-P energy: -12.628 bonds (distance) P-C4' energy: -18.894 flat angles C4'-P-C4' energy: -22.745 flat angles P-C4'-P energy: -8.459 tors. eta vs tors. theta energy: -17.411 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: 3 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -127.963527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.963527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.963527 (E_RNA) where: Base-Base interactions energy: -59.988 where: short stacking energy: -59.988 Base-Backbone interact. energy: -0.406 local terms energy: -67.569351 where: bonds (distance) C4'-P energy: -17.573 bonds (distance) P-C4' energy: -16.576 flat angles C4'-P-C4' energy: -15.983 flat angles P-C4'-P energy: -9.516 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: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -134.348189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.348189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.348189 (E_RNA) where: Base-Base interactions energy: -70.189 where: short stacking energy: -70.189 Base-Backbone interact. energy: 0.357 local terms energy: -64.515710 where: bonds (distance) C4'-P energy: -18.195 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -13.149 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -9.794 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: 1 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -136.069830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.069830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.069830 (E_RNA) where: Base-Base interactions energy: -68.877 where: short stacking energy: -66.408 Base-Backbone interact. energy: -0.001 local terms energy: -67.191572 where: bonds (distance) C4'-P energy: -18.484 bonds (distance) P-C4' energy: -10.837 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -9.205 tors. eta vs tors. theta energy: -16.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -122.678212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.678212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.678212 (E_RNA) where: Base-Base interactions energy: -58.430 where: short stacking energy: -58.430 Base-Backbone interact. energy: -0.101 local terms energy: -64.146611 where: bonds (distance) C4'-P energy: -10.998 bonds (distance) P-C4' energy: -13.241 flat angles C4'-P-C4' energy: -18.314 flat angles P-C4'-P energy: -9.313 tors. eta vs tors. theta energy: -12.281 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: 1, replica: 4 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -215.805474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.805474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.805474 (E_RNA) where: Base-Base interactions energy: -115.397 where: short stacking energy: -115.397 Base-Backbone interact. energy: -0.014 local terms energy: -100.394825 where: bonds (distance) C4'-P energy: -21.171 bonds (distance) P-C4' energy: -19.756 flat angles C4'-P-C4' energy: -21.906 flat angles P-C4'-P energy: -13.009 tors. eta vs tors. theta energy: -24.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -205.516325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.516325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.516325 (E_RNA) where: Base-Base interactions energy: -112.679 where: short stacking energy: -112.679 Base-Backbone interact. energy: -0.116 local terms energy: -92.721759 where: bonds (distance) C4'-P energy: -19.841 bonds (distance) P-C4' energy: -16.782 flat angles C4'-P-C4' energy: -21.718 flat angles P-C4'-P energy: -7.696 tors. eta vs tors. theta energy: -26.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -186.351166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.351166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.351166 (E_RNA) where: Base-Base interactions energy: -100.649 where: short stacking energy: -100.649 Base-Backbone interact. energy: -0.001 local terms energy: -85.701229 where: bonds (distance) C4'-P energy: -15.391 bonds (distance) P-C4' energy: -18.188 flat angles C4'-P-C4' energy: -21.455 flat angles P-C4'-P energy: -11.588 tors. eta vs tors. theta energy: -19.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -180.664636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.664636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.664636 (E_RNA) where: Base-Base interactions energy: -97.947 where: short stacking energy: -97.947 Base-Backbone interact. energy: -0.018 local terms energy: -82.699931 where: bonds (distance) C4'-P energy: -15.251 bonds (distance) P-C4' energy: -17.973 flat angles C4'-P-C4' energy: -18.181 flat angles P-C4'-P energy: -7.664 tors. eta vs tors. theta energy: -23.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -176.253111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.253111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.253111 (E_RNA) where: Base-Base interactions energy: -89.418 where: short stacking energy: -89.418 Base-Backbone interact. energy: -0.062 local terms energy: -86.773469 where: bonds (distance) C4'-P energy: -19.149 bonds (distance) P-C4' energy: -14.436 flat angles C4'-P-C4' energy: -21.041 flat angles P-C4'-P energy: -12.858 tors. eta vs tors. theta energy: -19.289 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: 9 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -163.294828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.294828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.294828 (E_RNA) where: Base-Base interactions energy: -81.740 where: short stacking energy: -81.055 Base-Backbone interact. energy: -0.061 local terms energy: -81.493596 where: bonds (distance) C4'-P energy: -18.464 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -17.165 flat angles P-C4'-P energy: -13.556 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: 7, replica: 3 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -144.150339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.150339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.150339 (E_RNA) where: Base-Base interactions energy: -76.616 where: short stacking energy: -76.616 Base-Backbone interact. energy: -0.103 local terms energy: -67.431261 where: bonds (distance) C4'-P energy: -16.945 bonds (distance) P-C4' energy: -16.374 flat angles C4'-P-C4' energy: -13.539 flat angles P-C4'-P energy: -9.839 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: 8, replica: 1 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -131.309142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.309142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.309142 (E_RNA) where: Base-Base interactions energy: -57.299 where: short stacking energy: -57.299 Base-Backbone interact. energy: 0.135 local terms energy: -74.144518 where: bonds (distance) C4'-P energy: -16.258 bonds (distance) P-C4' energy: -20.803 flat angles C4'-P-C4' energy: -16.773 flat angles P-C4'-P energy: -10.003 tors. eta vs tors. theta energy: -10.308 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: 9, replica: 5 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -120.851741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.851741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.851741 (E_RNA) where: Base-Base interactions energy: -60.132 where: short stacking energy: -60.132 Base-Backbone interact. energy: -0.139 local terms energy: -60.580853 where: bonds (distance) C4'-P energy: -12.627 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -13.833 flat angles P-C4'-P energy: -9.786 tors. eta vs tors. theta energy: -9.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -113.311737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.311737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.311737 (E_RNA) where: Base-Base interactions energy: -49.578 where: short stacking energy: -49.578 Base-Backbone interact. energy: -0.117 local terms energy: -63.616744 where: bonds (distance) C4'-P energy: -16.561 bonds (distance) P-C4' energy: -18.798 flat angles C4'-P-C4' energy: -17.974 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -6.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -222.348109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.348109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.348109 (E_RNA) where: Base-Base interactions energy: -121.957 where: short stacking energy: -121.957 Base-Backbone interact. energy: -0.002 local terms energy: -100.389847 where: bonds (distance) C4'-P energy: -18.978 bonds (distance) P-C4' energy: -18.893 flat angles C4'-P-C4' energy: -20.344 flat angles P-C4'-P energy: -14.817 tors. eta vs tors. theta energy: -27.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -198.755805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.755805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.755805 (E_RNA) where: Base-Base interactions energy: -103.879 where: short stacking energy: -103.879 Base-Backbone interact. energy: -0.020 local terms energy: -94.856769 where: bonds (distance) C4'-P energy: -17.827 bonds (distance) P-C4' energy: -19.683 flat angles C4'-P-C4' energy: -19.807 flat angles P-C4'-P energy: -13.048 tors. eta vs tors. theta energy: -24.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -173.126233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.126233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.126233 (E_RNA) where: Base-Base interactions energy: -87.699 where: short stacking energy: -87.294 Base-Backbone interact. energy: -0.105 local terms energy: -85.322128 where: bonds (distance) C4'-P energy: -12.396 bonds (distance) P-C4' energy: -18.890 flat angles C4'-P-C4' energy: -19.108 flat angles P-C4'-P energy: -14.686 tors. eta vs tors. theta energy: -20.242 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: 10 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -176.995043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.995043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.995043 (E_RNA) where: Base-Base interactions energy: -88.149 where: short stacking energy: -86.253 Base-Backbone interact. energy: 0.430 local terms energy: -89.276332 where: bonds (distance) C4'-P energy: -20.239 bonds (distance) P-C4' energy: -18.352 flat angles C4'-P-C4' energy: -15.904 flat angles P-C4'-P energy: -14.909 tors. eta vs tors. theta energy: -19.873 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: 9 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -166.083876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.083876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.083876 (E_RNA) where: Base-Base interactions energy: -89.345 where: short stacking energy: -89.345 Base-Backbone interact. energy: -0.000 local terms energy: -76.738673 where: bonds (distance) C4'-P energy: -15.528 bonds (distance) P-C4' energy: -17.744 flat angles C4'-P-C4' energy: -17.658 flat angles P-C4'-P energy: -8.765 tors. eta vs tors. theta energy: -17.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -157.568430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.568430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.568430 (E_RNA) where: Base-Base interactions energy: -75.485 where: short stacking energy: -75.485 Base-Backbone interact. energy: -0.050 local terms energy: -82.032768 where: bonds (distance) C4'-P energy: -16.569 bonds (distance) P-C4' energy: -19.086 flat angles C4'-P-C4' energy: -19.408 flat angles P-C4'-P energy: -11.062 tors. eta vs tors. theta energy: -15.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -158.670990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.670990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.670990 (E_RNA) where: Base-Base interactions energy: -80.860 where: short stacking energy: -80.860 Base-Backbone interact. energy: 0.247 local terms energy: -78.057539 where: bonds (distance) C4'-P energy: -15.232 bonds (distance) P-C4' energy: -22.910 flat angles C4'-P-C4' energy: -11.638 flat angles P-C4'-P energy: -14.424 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: 8, replica: 3 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -115.290618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.290618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.290618 (E_RNA) where: Base-Base interactions energy: -46.962 where: short stacking energy: -46.494 Base-Backbone interact. energy: -0.345 local terms energy: -67.983474 where: bonds (distance) C4'-P energy: -17.898 bonds (distance) P-C4' energy: -19.314 flat angles C4'-P-C4' energy: -16.823 flat angles P-C4'-P energy: -8.308 tors. eta vs tors. theta energy: -5.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -109.755562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.755562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.755562 (E_RNA) where: Base-Base interactions energy: -53.539 where: short stacking energy: -49.225 Base-Backbone interact. energy: -0.922 local terms energy: -55.294931 where: bonds (distance) C4'-P energy: -13.028 bonds (distance) P-C4' energy: -16.321 flat angles C4'-P-C4' energy: -12.768 flat angles P-C4'-P energy: -9.880 tors. eta vs tors. theta energy: -3.299 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: 8 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -112.968187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.968187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.968187 (E_RNA) where: Base-Base interactions energy: -52.384 where: short stacking energy: -52.384 Base-Backbone interact. energy: -0.128 local terms energy: -60.455475 where: bonds (distance) C4'-P energy: -14.074 bonds (distance) P-C4' energy: -16.260 flat angles C4'-P-C4' energy: -15.633 flat angles P-C4'-P energy: -9.685 tors. eta vs tors. theta energy: -4.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -219.408201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.408201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.408201 (E_RNA) where: Base-Base interactions energy: -119.130 where: short stacking energy: -119.130 Base-Backbone interact. energy: -0.000 local terms energy: -100.277731 where: bonds (distance) C4'-P energy: -17.876 bonds (distance) P-C4' energy: -20.588 flat angles C4'-P-C4' energy: -21.272 flat angles P-C4'-P energy: -12.649 tors. eta vs tors. theta energy: -27.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -201.109446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.109446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.109446 (E_RNA) where: Base-Base interactions energy: -108.611 where: short stacking energy: -108.611 Base-Backbone interact. energy: -0.002 local terms energy: -92.495697 where: bonds (distance) C4'-P energy: -20.284 bonds (distance) P-C4' energy: -17.164 flat angles C4'-P-C4' energy: -15.874 flat angles P-C4'-P energy: -15.421 tors. eta vs tors. theta energy: -23.752 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: 6 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -174.738161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.738161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.738161 (E_RNA) where: Base-Base interactions energy: -93.283 where: short stacking energy: -93.283 Base-Backbone interact. energy: -0.010 local terms energy: -81.445362 where: bonds (distance) C4'-P energy: -18.415 bonds (distance) P-C4' energy: -19.477 flat angles C4'-P-C4' energy: -18.585 flat angles P-C4'-P energy: -9.736 tors. eta vs tors. theta energy: -15.233 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: 4, replica: 10 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -179.597174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.597174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.597174 (E_RNA) where: Base-Base interactions energy: -89.111 where: short stacking energy: -89.111 Base-Backbone interact. energy: -0.045 local terms energy: -90.441376 where: bonds (distance) C4'-P energy: -18.788 bonds (distance) P-C4' energy: -21.010 flat angles C4'-P-C4' energy: -18.938 flat angles P-C4'-P energy: -12.875 tors. eta vs tors. theta energy: -18.831 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: 9 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -181.829181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.829181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.829181 (E_RNA) where: Base-Base interactions energy: -93.231 where: short stacking energy: -93.231 Base-Backbone interact. energy: -0.007 local terms energy: -88.590378 where: bonds (distance) C4'-P energy: -18.666 bonds (distance) P-C4' energy: -18.327 flat angles C4'-P-C4' energy: -18.880 flat angles P-C4'-P energy: -12.600 tors. eta vs tors. theta energy: -20.118 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: 6, replica: 7 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -146.037187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.037187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.037187 (E_RNA) where: Base-Base interactions energy: -77.782 where: short stacking energy: -77.782 Base-Backbone interact. energy: -0.003 local terms energy: -68.251987 where: bonds (distance) C4'-P energy: -11.950 bonds (distance) P-C4' energy: -19.650 flat angles C4'-P-C4' energy: -17.617 flat angles P-C4'-P energy: -9.358 tors. eta vs tors. theta energy: -9.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -130.611312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.611312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.611312 (E_RNA) where: Base-Base interactions energy: -58.963 where: short stacking energy: -57.681 Base-Backbone interact. energy: -0.308 local terms energy: -71.340443 where: bonds (distance) C4'-P energy: -16.261 bonds (distance) P-C4' energy: -14.918 flat angles C4'-P-C4' energy: -18.563 flat angles P-C4'-P energy: -10.530 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: 8, replica: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -119.087021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.087021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.087021 (E_RNA) where: Base-Base interactions energy: -59.112 where: short stacking energy: -48.505 Base-Backbone interact. energy: -0.533 local terms energy: -59.442189 where: bonds (distance) C4'-P energy: -10.925 bonds (distance) P-C4' energy: -18.077 flat angles C4'-P-C4' energy: -15.764 flat angles P-C4'-P energy: -9.716 tors. eta vs tors. theta energy: -4.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -110.531136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.531136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.531136 (E_RNA) where: Base-Base interactions energy: -48.071 where: short stacking energy: -48.071 Base-Backbone interact. energy: 0.140 local terms energy: -62.600299 where: bonds (distance) C4'-P energy: -18.862 bonds (distance) P-C4' energy: -20.461 flat angles C4'-P-C4' energy: -14.316 flat angles P-C4'-P energy: -7.278 tors. eta vs tors. theta energy: -1.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -123.408529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.408529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.408529 (E_RNA) where: Base-Base interactions energy: -58.288 where: short stacking energy: -58.462 Base-Backbone interact. energy: -0.178 local terms energy: -64.942310 where: bonds (distance) C4'-P energy: -18.087 bonds (distance) P-C4' energy: -14.536 flat angles C4'-P-C4' energy: -14.449 flat angles P-C4'-P energy: -14.533 tors. eta vs tors. theta energy: -3.337 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: 4 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -217.449756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.449756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.449756 (E_RNA) where: Base-Base interactions energy: -119.294 where: short stacking energy: -119.294 Base-Backbone interact. energy: -1.098 local terms energy: -97.058317 where: bonds (distance) C4'-P energy: -14.095 bonds (distance) P-C4' energy: -20.943 flat angles C4'-P-C4' energy: -20.068 flat angles P-C4'-P energy: -15.105 tors. eta vs tors. theta energy: -26.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -199.989490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.989490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.989490 (E_RNA) where: Base-Base interactions energy: -110.545 where: short stacking energy: -110.545 Base-Backbone interact. energy: -0.000 local terms energy: -89.443982 where: bonds (distance) C4'-P energy: -12.751 bonds (distance) P-C4' energy: -17.568 flat angles C4'-P-C4' energy: -21.933 flat angles P-C4'-P energy: -12.955 tors. eta vs tors. theta energy: -24.236 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: 10 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -196.765020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.765020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.765020 (E_RNA) where: Base-Base interactions energy: -106.851 where: short stacking energy: -106.851 Base-Backbone interact. energy: -0.067 local terms energy: -89.847663 where: bonds (distance) C4'-P energy: -10.921 bonds (distance) P-C4' energy: -19.709 flat angles C4'-P-C4' energy: -19.457 flat angles P-C4'-P energy: -14.927 tors. eta vs tors. theta energy: -24.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -183.690263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.690263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.690263 (E_RNA) where: Base-Base interactions energy: -92.839 where: short stacking energy: -92.839 Base-Backbone interact. energy: -0.000 local terms energy: -90.850929 where: bonds (distance) C4'-P energy: -17.556 bonds (distance) P-C4' energy: -20.177 flat angles C4'-P-C4' energy: -18.368 flat angles P-C4'-P energy: -12.173 tors. eta vs tors. theta energy: -22.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -171.151536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.151536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.151536 (E_RNA) where: Base-Base interactions energy: -88.544 where: short stacking energy: -88.544 Base-Backbone interact. energy: -0.004 local terms energy: -82.603838 where: bonds (distance) C4'-P energy: -15.551 bonds (distance) P-C4' energy: -18.201 flat angles C4'-P-C4' energy: -16.160 flat angles P-C4'-P energy: -13.004 tors. eta vs tors. theta energy: -19.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -170.130477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.130477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.130477 (E_RNA) where: Base-Base interactions energy: -88.465 where: short stacking energy: -90.165 Base-Backbone interact. energy: -0.005 local terms energy: -81.660452 where: bonds (distance) C4'-P energy: -16.824 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -17.307 flat angles P-C4'-P energy: -10.779 tors. eta vs tors. theta energy: -21.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -136.601216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.601216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.601216 (E_RNA) where: Base-Base interactions energy: -69.604 where: short stacking energy: -69.604 Base-Backbone interact. energy: -0.101 local terms energy: -66.895475 where: bonds (distance) C4'-P energy: -15.620 bonds (distance) P-C4' energy: -9.964 flat angles C4'-P-C4' energy: -19.314 flat angles P-C4'-P energy: -8.458 tors. eta vs tors. theta energy: -13.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -136.566731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.566731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.566731 (E_RNA) where: Base-Base interactions energy: -67.815 where: short stacking energy: -67.815 Base-Backbone interact. energy: 0.600 local terms energy: -69.351730 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -13.414 flat angles C4'-P-C4' energy: -13.202 flat angles P-C4'-P energy: -10.633 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: 9, replica: 8 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -132.205361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.205361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.205361 (E_RNA) where: Base-Base interactions energy: -63.160 where: short stacking energy: -63.160 Base-Backbone interact. energy: -0.163 local terms energy: -68.882369 where: bonds (distance) C4'-P energy: -17.462 bonds (distance) P-C4' energy: -18.755 flat angles C4'-P-C4' energy: -9.834 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -13.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -118.048161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.048161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.048161 (E_RNA) where: Base-Base interactions energy: -58.391 where: short stacking energy: -56.475 Base-Backbone interact. energy: -0.170 local terms energy: -59.486582 where: bonds (distance) C4'-P energy: -14.477 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -9.664 flat angles P-C4'-P energy: -9.360 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: 1, replica: 4 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -222.976276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.976276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.976276 (E_RNA) where: Base-Base interactions energy: -127.900 where: short stacking energy: -127.900 Base-Backbone interact. energy: -0.000 local terms energy: -95.075994 where: bonds (distance) C4'-P energy: -16.018 bonds (distance) P-C4' energy: -17.885 flat angles C4'-P-C4' energy: -20.268 flat angles P-C4'-P energy: -12.488 tors. eta vs tors. theta energy: -28.418 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: 2 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -190.352273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.352273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.352273 (E_RNA) where: Base-Base interactions energy: -97.347 where: short stacking energy: -97.347 Base-Backbone interact. energy: -0.082 local terms energy: -92.922793 where: bonds (distance) C4'-P energy: -16.618 bonds (distance) P-C4' energy: -19.285 flat angles C4'-P-C4' energy: -19.915 flat angles P-C4'-P energy: -16.391 tors. eta vs tors. theta energy: -20.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -178.810091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.810091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.810091 (E_RNA) where: Base-Base interactions energy: -95.671 where: short stacking energy: -95.671 Base-Backbone interact. energy: -0.003 local terms energy: -83.136190 where: bonds (distance) C4'-P energy: -14.461 bonds (distance) P-C4' energy: -20.587 flat angles C4'-P-C4' energy: -19.136 flat angles P-C4'-P energy: -8.892 tors. eta vs tors. theta energy: -20.060 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: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -196.969067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.969067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.969067 (E_RNA) where: Base-Base interactions energy: -107.280 where: short stacking energy: -107.280 Base-Backbone interact. energy: -0.027 local terms energy: -89.662194 where: bonds (distance) C4'-P energy: -15.488 bonds (distance) P-C4' energy: -18.401 flat angles C4'-P-C4' energy: -18.331 flat angles P-C4'-P energy: -11.843 tors. eta vs tors. theta energy: -25.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -164.269034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.269034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.269034 (E_RNA) where: Base-Base interactions energy: -85.510 where: short stacking energy: -85.182 Base-Backbone interact. energy: -0.107 local terms energy: -78.652330 where: bonds (distance) C4'-P energy: -8.901 bonds (distance) P-C4' energy: -20.078 flat angles C4'-P-C4' energy: -19.440 flat angles P-C4'-P energy: -11.402 tors. eta vs tors. theta energy: -18.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -153.726939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.726939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.726939 (E_RNA) where: Base-Base interactions energy: -82.381 where: short stacking energy: -82.381 Base-Backbone interact. energy: 0.535 local terms energy: -71.881371 where: bonds (distance) C4'-P energy: -12.888 bonds (distance) P-C4' energy: -18.022 flat angles C4'-P-C4' energy: -15.462 flat angles P-C4'-P energy: -12.160 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: 7, replica: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -143.189632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.189632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.189632 (E_RNA) where: Base-Base interactions energy: -76.836 where: short stacking energy: -76.836 Base-Backbone interact. energy: -0.012 local terms energy: -66.341482 where: bonds (distance) C4'-P energy: -15.998 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -18.782 flat angles P-C4'-P energy: -6.003 tors. eta vs tors. theta energy: -11.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -121.068446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.068446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.068446 (E_RNA) where: Base-Base interactions energy: -49.592 where: short stacking energy: -49.592 Base-Backbone interact. energy: -0.180 local terms energy: -71.296448 where: bonds (distance) C4'-P energy: -16.567 bonds (distance) P-C4' energy: -19.726 flat angles C4'-P-C4' energy: -18.568 flat angles P-C4'-P energy: -14.503 tors. eta vs tors. theta energy: -1.932 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: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -128.729055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.729055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.729055 (E_RNA) where: Base-Base interactions energy: -70.415 where: short stacking energy: -70.415 Base-Backbone interact. energy: -0.217 local terms energy: -58.096954 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -16.216 flat angles P-C4'-P energy: -12.071 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: 10, replica: 3 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -130.313495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.313495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.313495 (E_RNA) where: Base-Base interactions energy: -67.949 where: short stacking energy: -67.949 Base-Backbone interact. energy: -0.042 local terms energy: -62.322563 where: bonds (distance) C4'-P energy: -11.571 bonds (distance) P-C4' energy: -11.837 flat angles C4'-P-C4' energy: -14.771 flat angles P-C4'-P energy: -9.944 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: 1, replica: 4 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -215.214359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.214359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.214359 (E_RNA) where: Base-Base interactions energy: -118.114 where: short stacking energy: -118.114 Base-Backbone interact. energy: -0.001 local terms energy: -97.099944 where: bonds (distance) C4'-P energy: -17.926 bonds (distance) P-C4' energy: -18.223 flat angles C4'-P-C4' energy: -21.516 flat angles P-C4'-P energy: -13.744 tors. eta vs tors. theta energy: -25.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -196.764586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.764586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.764586 (E_RNA) where: Base-Base interactions energy: -102.684 where: short stacking energy: -102.684 Base-Backbone interact. energy: -0.000 local terms energy: -94.079950 where: bonds (distance) C4'-P energy: -20.017 bonds (distance) P-C4' energy: -18.419 flat angles C4'-P-C4' energy: -20.439 flat angles P-C4'-P energy: -10.539 tors. eta vs tors. theta energy: -24.666 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: 6 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -208.221855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.221855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.221855 (E_RNA) where: Base-Base interactions energy: -112.372 where: short stacking energy: -112.372 Base-Backbone interact. energy: -0.002 local terms energy: -95.847640 where: bonds (distance) C4'-P energy: -15.069 bonds (distance) P-C4' energy: -22.056 flat angles C4'-P-C4' energy: -19.823 flat angles P-C4'-P energy: -12.318 tors. eta vs tors. theta energy: -26.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -183.790931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.790931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.790931 (E_RNA) where: Base-Base interactions energy: -88.779 where: short stacking energy: -88.779 Base-Backbone interact. energy: -0.047 local terms energy: -94.965344 where: bonds (distance) C4'-P energy: -18.695 bonds (distance) P-C4' energy: -20.172 flat angles C4'-P-C4' energy: -17.873 flat angles P-C4'-P energy: -16.974 tors. eta vs tors. theta energy: -21.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -176.531685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.531685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.531685 (E_RNA) where: Base-Base interactions energy: -90.828 where: short stacking energy: -90.828 Base-Backbone interact. energy: -0.094 local terms energy: -85.609699 where: bonds (distance) C4'-P energy: -14.515 bonds (distance) P-C4' energy: -18.855 flat angles C4'-P-C4' energy: -16.362 flat angles P-C4'-P energy: -15.561 tors. eta vs tors. theta energy: -20.317 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: 6, replica: 9 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -162.158821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.158821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.158821 (E_RNA) where: Base-Base interactions energy: -87.246 where: short stacking energy: -87.246 Base-Backbone interact. energy: -0.231 local terms energy: -74.681837 where: bonds (distance) C4'-P energy: -14.858 bonds (distance) P-C4' energy: -8.769 flat angles C4'-P-C4' energy: -19.312 flat angles P-C4'-P energy: -12.668 tors. eta vs tors. theta energy: -19.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -125.044408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.044408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.044408 (E_RNA) where: Base-Base interactions energy: -65.291 where: short stacking energy: -64.888 Base-Backbone interact. energy: -0.421 local terms energy: -59.332877 where: bonds (distance) C4'-P energy: -12.842 bonds (distance) P-C4' energy: -19.869 flat angles C4'-P-C4' energy: -9.927 flat angles P-C4'-P energy: -11.282 tors. eta vs tors. theta energy: -5.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -143.377920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.377920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.377920 (E_RNA) where: Base-Base interactions energy: -70.525 where: short stacking energy: -70.525 Base-Backbone interact. energy: -0.033 local terms energy: -72.819929 where: bonds (distance) C4'-P energy: -16.990 bonds (distance) P-C4' energy: -16.181 flat angles C4'-P-C4' energy: -18.325 flat angles P-C4'-P energy: -10.944 tors. eta vs tors. theta energy: -10.379 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: 3 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -126.758869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.758869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.758869 (E_RNA) where: Base-Base interactions energy: -67.220 where: short stacking energy: -67.220 Base-Backbone interact. energy: 0.291 local terms energy: -59.830401 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -17.874 flat angles C4'-P-C4' energy: -17.149 flat angles P-C4'-P energy: -10.012 tors. eta vs tors. theta energy: -7.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -115.848620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.848620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.848620 (E_RNA) where: Base-Base interactions energy: -52.523 where: short stacking energy: -52.523 Base-Backbone interact. energy: -0.713 local terms energy: -62.612966 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -11.768 flat angles P-C4'-P energy: -11.331 tors. eta vs tors. theta energy: -8.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -205.060392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.060392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.060392 (E_RNA) where: Base-Base interactions energy: -113.398 where: short stacking energy: -113.398 Base-Backbone interact. energy: 1.223 local terms energy: -92.884892 where: bonds (distance) C4'-P energy: -18.638 bonds (distance) P-C4' energy: -18.380 flat angles C4'-P-C4' energy: -18.902 flat angles P-C4'-P energy: -14.035 tors. eta vs tors. theta energy: -22.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -203.032139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.032139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.032139 (E_RNA) where: Base-Base interactions energy: -108.437 where: short stacking energy: -108.437 Base-Backbone interact. energy: -0.000 local terms energy: -94.594661 where: bonds (distance) C4'-P energy: -16.332 bonds (distance) P-C4' energy: -18.613 flat angles C4'-P-C4' energy: -20.474 flat angles P-C4'-P energy: -14.692 tors. eta vs tors. theta energy: -24.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -189.043825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.043825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.043825 (E_RNA) where: Base-Base interactions energy: -92.991 where: short stacking energy: -92.991 Base-Backbone interact. energy: 0.390 local terms energy: -96.442902 where: bonds (distance) C4'-P energy: -18.763 bonds (distance) P-C4' energy: -22.061 flat angles C4'-P-C4' energy: -19.615 flat angles P-C4'-P energy: -15.362 tors. eta vs tors. theta energy: -20.642 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: 7 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -166.989904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.989904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.989904 (E_RNA) where: Base-Base interactions energy: -86.172 where: short stacking energy: -86.172 Base-Backbone interact. energy: -0.403 local terms energy: -80.415102 where: bonds (distance) C4'-P energy: -12.664 bonds (distance) P-C4' energy: -20.792 flat angles C4'-P-C4' energy: -17.585 flat angles P-C4'-P energy: -11.165 tors. eta vs tors. theta energy: -18.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -165.971066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.971066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.971066 (E_RNA) where: Base-Base interactions energy: -82.186 where: short stacking energy: -82.186 Base-Backbone interact. energy: 0.932 local terms energy: -84.716871 where: bonds (distance) C4'-P energy: -20.150 bonds (distance) P-C4' energy: -19.401 flat angles C4'-P-C4' energy: -16.779 flat angles P-C4'-P energy: -11.318 tors. eta vs tors. theta energy: -17.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -151.863656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.863656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.863656 (E_RNA) where: Base-Base interactions energy: -75.922 where: short stacking energy: -75.948 Base-Backbone interact. energy: -0.298 local terms energy: -75.643303 where: bonds (distance) C4'-P energy: -13.985 bonds (distance) P-C4' energy: -20.781 flat angles C4'-P-C4' energy: -14.535 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -17.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -144.248149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.248149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.248149 (E_RNA) where: Base-Base interactions energy: -75.545 where: short stacking energy: -75.545 Base-Backbone interact. energy: 1.158 local terms energy: -69.860761 where: bonds (distance) C4'-P energy: -16.693 bonds (distance) P-C4' energy: -17.041 flat angles C4'-P-C4' energy: -15.649 flat angles P-C4'-P energy: -12.705 tors. eta vs tors. theta energy: -7.773 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: 8, replica: 5 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -139.308291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.308291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.308291 (E_RNA) where: Base-Base interactions energy: -69.077 where: short stacking energy: -68.836 Base-Backbone interact. energy: -0.168 local terms energy: -70.063510 where: bonds (distance) C4'-P energy: -9.838 bonds (distance) P-C4' energy: -22.107 flat angles C4'-P-C4' energy: -17.005 flat angles P-C4'-P energy: -12.816 tors. eta vs tors. theta energy: -8.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -124.581886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.581886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.581886 (E_RNA) where: Base-Base interactions energy: -57.486 where: short stacking energy: -57.686 Base-Backbone interact. energy: -0.104 local terms energy: -66.992435 where: bonds (distance) C4'-P energy: -14.598 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -18.764 flat angles P-C4'-P energy: -11.006 tors. eta vs tors. theta energy: -9.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -114.533058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.533058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.533058 (E_RNA) where: Base-Base interactions energy: -52.364 where: short stacking energy: -52.364 Base-Backbone interact. energy: -0.244 local terms energy: -61.925034 where: bonds (distance) C4'-P energy: -9.559 bonds (distance) P-C4' energy: -17.588 flat angles C4'-P-C4' energy: -14.559 flat angles P-C4'-P energy: -9.687 tors. eta vs tors. theta energy: -10.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -222.369379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.369379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.369379 (E_RNA) where: Base-Base interactions energy: -121.142 where: short stacking energy: -121.142 Base-Backbone interact. energy: -1.679 local terms energy: -99.548566 where: bonds (distance) C4'-P energy: -18.196 bonds (distance) P-C4' energy: -19.151 flat angles C4'-P-C4' energy: -21.158 flat angles P-C4'-P energy: -13.832 tors. eta vs tors. theta energy: -27.211 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: 2, replica: 4 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -200.345523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.345523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.345523 (E_RNA) where: Base-Base interactions energy: -110.280 where: short stacking energy: -110.280 Base-Backbone interact. energy: 0.225 local terms energy: -90.290505 where: bonds (distance) C4'-P energy: -17.637 bonds (distance) P-C4' energy: -17.032 flat angles C4'-P-C4' energy: -18.564 flat angles P-C4'-P energy: -10.178 tors. eta vs tors. theta energy: -26.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -174.664968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.664968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.664968 (E_RNA) where: Base-Base interactions energy: -92.465 where: short stacking energy: -91.917 Base-Backbone interact. energy: -0.454 local terms energy: -81.746489 where: bonds (distance) C4'-P energy: -14.117 bonds (distance) P-C4' energy: -21.766 flat angles C4'-P-C4' energy: -17.164 flat angles P-C4'-P energy: -12.638 tors. eta vs tors. theta energy: -16.060 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: 7 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -185.876155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.876155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.876155 (E_RNA) where: Base-Base interactions energy: -95.430 where: short stacking energy: -95.430 Base-Backbone interact. energy: -0.001 local terms energy: -90.445451 where: bonds (distance) C4'-P energy: -16.754 bonds (distance) P-C4' energy: -19.272 flat angles C4'-P-C4' energy: -18.473 flat angles P-C4'-P energy: -12.507 tors. eta vs tors. theta energy: -23.439 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: 9 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -153.556045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.556045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.556045 (E_RNA) where: Base-Base interactions energy: -77.017 where: short stacking energy: -76.409 Base-Backbone interact. energy: -0.173 local terms energy: -76.365652 where: bonds (distance) C4'-P energy: -19.113 bonds (distance) P-C4' energy: -16.287 flat angles C4'-P-C4' energy: -14.257 flat angles P-C4'-P energy: -15.272 tors. eta vs tors. theta energy: -11.437 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: 6, replica: 10 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -164.300663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.300663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.300663 (E_RNA) where: Base-Base interactions energy: -84.706 where: short stacking energy: -84.706 Base-Backbone interact. energy: -0.008 local terms energy: -79.586810 where: bonds (distance) C4'-P energy: -17.099 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -21.084 flat angles P-C4'-P energy: -9.623 tors. eta vs tors. theta energy: -18.463 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: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -162.479702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.479702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.479702 (E_RNA) where: Base-Base interactions energy: -89.633 where: short stacking energy: -89.633 Base-Backbone interact. energy: -0.068 local terms energy: -72.778646 where: bonds (distance) C4'-P energy: -10.069 bonds (distance) P-C4' energy: -21.708 flat angles C4'-P-C4' energy: -20.270 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -17.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -120.521078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.521078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.521078 (E_RNA) where: Base-Base interactions energy: -59.555 where: short stacking energy: -59.555 Base-Backbone interact. energy: -0.321 local terms energy: -60.645811 where: bonds (distance) C4'-P energy: -9.435 bonds (distance) P-C4' energy: -17.210 flat angles C4'-P-C4' energy: -16.977 flat angles P-C4'-P energy: -9.762 tors. eta vs tors. theta energy: -7.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -120.697900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.697900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.697900 (E_RNA) where: Base-Base interactions energy: -53.399 where: short stacking energy: -51.254 Base-Backbone interact. energy: -0.121 local terms energy: -67.177543 where: bonds (distance) C4'-P energy: -14.982 bonds (distance) P-C4' energy: -15.406 flat angles C4'-P-C4' energy: -17.280 flat angles P-C4'-P energy: -8.259 tors. eta vs tors. theta energy: -11.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -115.845245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.845245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.845245 (E_RNA) where: Base-Base interactions energy: -49.137 where: short stacking energy: -49.106 Base-Backbone interact. energy: -0.304 local terms energy: -66.404132 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -19.129 flat angles C4'-P-C4' energy: -19.903 flat angles P-C4'-P energy: -10.457 tors. eta vs tors. theta energy: -4.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -218.295889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.295889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.295889 (E_RNA) where: Base-Base interactions energy: -119.572 where: short stacking energy: -119.572 Base-Backbone interact. energy: -0.000 local terms energy: -98.723539 where: bonds (distance) C4'-P energy: -14.725 bonds (distance) P-C4' energy: -18.347 flat angles C4'-P-C4' energy: -22.365 flat angles P-C4'-P energy: -13.341 tors. eta vs tors. theta energy: -29.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -208.684925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.684925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.684925 (E_RNA) where: Base-Base interactions energy: -110.452 where: short stacking energy: -109.433 Base-Backbone interact. energy: -0.060 local terms energy: -98.172956 where: bonds (distance) C4'-P energy: -18.751 bonds (distance) P-C4' energy: -18.799 flat angles C4'-P-C4' energy: -20.077 flat angles P-C4'-P energy: -13.011 tors. eta vs tors. theta energy: -27.536 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: 2 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -192.155062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.155062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.155062 (E_RNA) where: Base-Base interactions energy: -102.457 where: short stacking energy: -102.457 Base-Backbone interact. energy: -0.045 local terms energy: -89.653641 where: bonds (distance) C4'-P energy: -13.439 bonds (distance) P-C4' energy: -15.596 flat angles C4'-P-C4' energy: -20.648 flat angles P-C4'-P energy: -16.290 tors. eta vs tors. theta energy: -23.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -179.379913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.379913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.379913 (E_RNA) where: Base-Base interactions energy: -91.317 where: short stacking energy: -91.317 Base-Backbone interact. energy: -0.117 local terms energy: -87.945906 where: bonds (distance) C4'-P energy: -18.923 bonds (distance) P-C4' energy: -17.694 flat angles C4'-P-C4' energy: -18.568 flat angles P-C4'-P energy: -16.368 tors. eta vs tors. theta energy: -16.392 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: 9 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -161.753381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.753381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.753381 (E_RNA) where: Base-Base interactions energy: -87.802 where: short stacking energy: -86.017 Base-Backbone interact. energy: 0.416 local terms energy: -74.367309 where: bonds (distance) C4'-P energy: -14.527 bonds (distance) P-C4' energy: -19.057 flat angles C4'-P-C4' energy: -16.002 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: -15.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -153.892176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.892176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.892176 (E_RNA) where: Base-Base interactions energy: -81.458 where: short stacking energy: -81.458 Base-Backbone interact. energy: -0.043 local terms energy: -72.391394 where: bonds (distance) C4'-P energy: -15.331 bonds (distance) P-C4' energy: -18.550 flat angles C4'-P-C4' energy: -15.074 flat angles P-C4'-P energy: -7.503 tors. eta vs tors. theta energy: -15.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -151.475948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.475948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.475948 (E_RNA) where: Base-Base interactions energy: -73.927 where: short stacking energy: -73.927 Base-Backbone interact. energy: -0.026 local terms energy: -77.523148 where: bonds (distance) C4'-P energy: -13.943 bonds (distance) P-C4' energy: -16.565 flat angles C4'-P-C4' energy: -18.786 flat angles P-C4'-P energy: -13.792 tors. eta vs tors. theta energy: -14.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -121.000569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.000569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.000569 (E_RNA) where: Base-Base interactions energy: -49.672 where: short stacking energy: -49.672 Base-Backbone interact. energy: -0.081 local terms energy: -71.247743 where: bonds (distance) C4'-P energy: -22.256 bonds (distance) P-C4' energy: -12.330 flat angles C4'-P-C4' energy: -16.353 flat angles P-C4'-P energy: -14.730 tors. eta vs tors. theta energy: -5.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -135.084155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.084155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.084155 (E_RNA) where: Base-Base interactions energy: -63.996 where: short stacking energy: -63.079 Base-Backbone interact. energy: 0.119 local terms energy: -71.206700 where: bonds (distance) C4'-P energy: -15.339 bonds (distance) P-C4' energy: -17.686 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -12.797 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: 10, replica: 3 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -128.397902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.397902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.397902 (E_RNA) where: Base-Base interactions energy: -63.088 where: short stacking energy: -63.088 Base-Backbone interact. energy: -0.156 local terms energy: -65.153466 where: bonds (distance) C4'-P energy: -16.841 bonds (distance) P-C4' energy: -18.211 flat angles C4'-P-C4' energy: -10.201 flat angles P-C4'-P energy: -8.413 tors. eta vs tors. theta energy: -11.488 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: 6 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -213.994733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.994733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.994733 (E_RNA) where: Base-Base interactions energy: -118.640 where: short stacking energy: -118.640 Base-Backbone interact. energy: -0.049 local terms energy: -95.305199 where: bonds (distance) C4'-P energy: -17.309 bonds (distance) P-C4' energy: -18.337 flat angles C4'-P-C4' energy: -22.923 flat angles P-C4'-P energy: -11.331 tors. eta vs tors. theta energy: -25.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -217.054049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.054049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.054049 (E_RNA) where: Base-Base interactions energy: -122.980 where: short stacking energy: -122.980 Base-Backbone interact. energy: -0.001 local terms energy: -94.073238 where: bonds (distance) C4'-P energy: -18.319 bonds (distance) P-C4' energy: -15.602 flat angles C4'-P-C4' energy: -20.897 flat angles P-C4'-P energy: -12.504 tors. eta vs tors. theta energy: -26.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -200.473753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.473753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.473753 (E_RNA) where: Base-Base interactions energy: -108.923 where: short stacking energy: -108.923 Base-Backbone interact. energy: -0.507 local terms energy: -91.042937 where: bonds (distance) C4'-P energy: -17.233 bonds (distance) P-C4' energy: -15.643 flat angles C4'-P-C4' energy: -17.915 flat angles P-C4'-P energy: -16.050 tors. eta vs tors. theta energy: -24.202 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: 7 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -181.641650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.641650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.641650 (E_RNA) where: Base-Base interactions energy: -98.246 where: short stacking energy: -95.945 Base-Backbone interact. energy: -0.130 local terms energy: -83.266099 where: bonds (distance) C4'-P energy: -16.176 bonds (distance) P-C4' energy: -17.935 flat angles C4'-P-C4' energy: -19.037 flat angles P-C4'-P energy: -11.157 tors. eta vs tors. theta energy: -18.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -155.492551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.492551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.492551 (E_RNA) where: Base-Base interactions energy: -87.529 where: short stacking energy: -87.529 Base-Backbone interact. energy: -0.007 local terms energy: -67.957068 where: bonds (distance) C4'-P energy: -17.338 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -11.713 flat angles P-C4'-P energy: -10.199 tors. eta vs tors. theta energy: -14.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -154.441853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.441853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.441853 (E_RNA) where: Base-Base interactions energy: -81.463 where: short stacking energy: -79.671 Base-Backbone interact. energy: -0.209 local terms energy: -72.770477 where: bonds (distance) C4'-P energy: -19.084 bonds (distance) P-C4' energy: -16.272 flat angles C4'-P-C4' energy: -16.278 flat angles P-C4'-P energy: -6.059 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: 7, replica: 8 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -131.444071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.444071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.444071 (E_RNA) where: Base-Base interactions energy: -63.448 where: short stacking energy: -62.691 Base-Backbone interact. energy: -0.072 local terms energy: -67.924416 where: bonds (distance) C4'-P energy: -17.634 bonds (distance) P-C4' energy: -14.865 flat angles C4'-P-C4' energy: -17.228 flat angles P-C4'-P energy: -10.341 tors. eta vs tors. theta energy: -7.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -129.262728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.262728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.262728 (E_RNA) where: Base-Base interactions energy: -61.660 where: short stacking energy: -59.808 Base-Backbone interact. energy: 0.881 local terms energy: -68.484447 where: bonds (distance) C4'-P energy: -14.510 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -15.829 flat angles P-C4'-P energy: -14.227 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: 9, replica: 3 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -119.343549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.343549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.343549 (E_RNA) where: Base-Base interactions energy: -55.974 where: short stacking energy: -55.719 Base-Backbone interact. energy: -0.536 local terms energy: -62.833288 where: bonds (distance) C4'-P energy: -15.176 bonds (distance) P-C4' energy: -17.960 flat angles C4'-P-C4' energy: -14.191 flat angles P-C4'-P energy: -10.084 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: 10, replica: 1 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -109.907113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.907113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.907113 (E_RNA) where: Base-Base interactions energy: -59.971 where: short stacking energy: -59.497 Base-Backbone interact. energy: -0.162 local terms energy: -49.774025 where: bonds (distance) C4'-P energy: -14.274 bonds (distance) P-C4' energy: -14.287 flat angles C4'-P-C4' energy: -10.740 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -4.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -224.622856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.622856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.622856 (E_RNA) where: Base-Base interactions energy: -123.068 where: short stacking energy: -123.068 Base-Backbone interact. energy: -0.000 local terms energy: -101.555217 where: bonds (distance) C4'-P energy: -19.186 bonds (distance) P-C4' energy: -18.273 flat angles C4'-P-C4' energy: -19.164 flat angles P-C4'-P energy: -16.734 tors. eta vs tors. theta energy: -28.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -205.453015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.453015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.453015 (E_RNA) where: Base-Base interactions energy: -113.175 where: short stacking energy: -113.175 Base-Backbone interact. energy: 0.195 local terms energy: -92.472422 where: bonds (distance) C4'-P energy: -16.871 bonds (distance) P-C4' energy: -18.439 flat angles C4'-P-C4' energy: -18.507 flat angles P-C4'-P energy: -12.056 tors. eta vs tors. theta energy: -26.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -191.162389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.162389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.162389 (E_RNA) where: Base-Base interactions energy: -100.397 where: short stacking energy: -100.397 Base-Backbone interact. energy: -0.009 local terms energy: -90.755874 where: bonds (distance) C4'-P energy: -17.790 bonds (distance) P-C4' energy: -14.909 flat angles C4'-P-C4' energy: -20.682 flat angles P-C4'-P energy: -16.564 tors. eta vs tors. theta energy: -20.811 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: 7 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -172.287166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.287166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.287166 (E_RNA) where: Base-Base interactions energy: -89.326 where: short stacking energy: -88.841 Base-Backbone interact. energy: -1.704 local terms energy: -81.257231 where: bonds (distance) C4'-P energy: -16.037 bonds (distance) P-C4' energy: -18.167 flat angles C4'-P-C4' energy: -17.264 flat angles P-C4'-P energy: -10.312 tors. eta vs tors. theta energy: -19.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -159.964505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.964505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.964505 (E_RNA) where: Base-Base interactions energy: -84.226 where: short stacking energy: -81.948 Base-Backbone interact. energy: 1.797 local terms energy: -77.535316 where: bonds (distance) C4'-P energy: -20.360 bonds (distance) P-C4' energy: -18.618 flat angles C4'-P-C4' energy: -17.494 flat angles P-C4'-P energy: -9.335 tors. eta vs tors. theta energy: -11.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -163.542181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.542181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.542181 (E_RNA) where: Base-Base interactions energy: -83.258 where: short stacking energy: -83.258 Base-Backbone interact. energy: -0.013 local terms energy: -80.270805 where: bonds (distance) C4'-P energy: -11.722 bonds (distance) P-C4' energy: -18.396 flat angles C4'-P-C4' energy: -17.368 flat angles P-C4'-P energy: -14.847 tors. eta vs tors. theta energy: -17.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -139.269344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.269344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.269344 (E_RNA) where: Base-Base interactions energy: -63.440 where: short stacking energy: -63.364 Base-Backbone interact. energy: -0.153 local terms energy: -75.676428 where: bonds (distance) C4'-P energy: -17.236 bonds (distance) P-C4' energy: -19.577 flat angles C4'-P-C4' energy: -17.253 flat angles P-C4'-P energy: -13.287 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: 8, replica: 3 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -137.136099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.136099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.136099 (E_RNA) where: Base-Base interactions energy: -65.775 where: short stacking energy: -65.515 Base-Backbone interact. energy: -0.653 local terms energy: -70.708832 where: bonds (distance) C4'-P energy: -14.380 bonds (distance) P-C4' energy: -18.876 flat angles C4'-P-C4' energy: -17.500 flat angles P-C4'-P energy: -10.789 tors. eta vs tors. theta energy: -9.164 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: 9, replica: 10 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -119.889705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.889705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.889705 (E_RNA) where: Base-Base interactions energy: -54.164 where: short stacking energy: -54.164 Base-Backbone interact. energy: 0.862 local terms energy: -66.587763 where: bonds (distance) C4'-P energy: -18.389 bonds (distance) P-C4' energy: -13.501 flat angles C4'-P-C4' energy: -19.448 flat angles P-C4'-P energy: -10.485 tors. eta vs tors. theta energy: -4.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -114.030975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.030975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.030975 (E_RNA) where: Base-Base interactions energy: -64.229 where: short stacking energy: -64.153 Base-Backbone interact. energy: 0.335 local terms energy: -50.137513 where: bonds (distance) C4'-P energy: -11.625 bonds (distance) P-C4' energy: -9.491 flat angles C4'-P-C4' energy: -17.788 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -7.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -206.474318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.474318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.474318 (E_RNA) where: Base-Base interactions energy: -112.890 where: short stacking energy: -112.890 Base-Backbone interact. energy: -0.002 local terms energy: -93.582710 where: bonds (distance) C4'-P energy: -17.932 bonds (distance) P-C4' energy: -17.688 flat angles C4'-P-C4' energy: -19.467 flat angles P-C4'-P energy: -11.285 tors. eta vs tors. theta energy: -27.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -217.068935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.068935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.068935 (E_RNA) where: Base-Base interactions energy: -117.495 where: short stacking energy: -117.495 Base-Backbone interact. energy: -0.002 local terms energy: -99.572120 where: bonds (distance) C4'-P energy: -18.062 bonds (distance) P-C4' energy: -16.751 flat angles C4'-P-C4' energy: -20.352 flat angles P-C4'-P energy: -16.656 tors. eta vs tors. theta energy: -27.751 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: 376 Temperature: 1.000000 Total energy: -169.205403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.205403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.205403 (E_RNA) where: Base-Base interactions energy: -89.506 where: short stacking energy: -87.036 Base-Backbone interact. energy: -1.196 local terms energy: -78.504058 where: bonds (distance) C4'-P energy: -17.177 bonds (distance) P-C4' energy: -13.543 flat angles C4'-P-C4' energy: -18.681 flat angles P-C4'-P energy: -12.229 tors. eta vs tors. theta energy: -16.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -180.173159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.173159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.173159 (E_RNA) where: Base-Base interactions energy: -92.767 where: short stacking energy: -92.767 Base-Backbone interact. energy: -0.059 local terms energy: -87.347737 where: bonds (distance) C4'-P energy: -21.535 bonds (distance) P-C4' energy: -15.715 flat angles C4'-P-C4' energy: -20.432 flat angles P-C4'-P energy: -10.049 tors. eta vs tors. theta energy: -19.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -164.444321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.444321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.444321 (E_RNA) where: Base-Base interactions energy: -84.150 where: short stacking energy: -84.150 Base-Backbone interact. energy: -0.178 local terms energy: -80.115731 where: bonds (distance) C4'-P energy: -19.536 bonds (distance) P-C4' energy: -18.893 flat angles C4'-P-C4' energy: -15.124 flat angles P-C4'-P energy: -10.211 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: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -155.844674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.844674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.844674 (E_RNA) where: Base-Base interactions energy: -77.588 where: short stacking energy: -77.588 Base-Backbone interact. energy: -0.017 local terms energy: -78.240422 where: bonds (distance) C4'-P energy: -20.398 bonds (distance) P-C4' energy: -15.277 flat angles C4'-P-C4' energy: -15.946 flat angles P-C4'-P energy: -13.432 tors. eta vs tors. theta energy: -13.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -144.256114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.256114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.256114 (E_RNA) where: Base-Base interactions energy: -71.765 where: short stacking energy: -71.765 Base-Backbone interact. energy: -0.008 local terms energy: -72.482720 where: bonds (distance) C4'-P energy: -17.868 bonds (distance) P-C4' energy: -19.123 flat angles C4'-P-C4' energy: -12.092 flat angles P-C4'-P energy: -8.665 tors. eta vs tors. theta energy: -14.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -138.482779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.482779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.482779 (E_RNA) where: Base-Base interactions energy: -64.560 where: short stacking energy: -63.282 Base-Backbone interact. energy: -0.177 local terms energy: -73.745395 where: bonds (distance) C4'-P energy: -17.956 bonds (distance) P-C4' energy: -18.107 flat angles C4'-P-C4' energy: -16.465 flat angles P-C4'-P energy: -9.214 tors. eta vs tors. theta energy: -12.003 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: 376 Temperature: 1.300000 Total energy: -119.213944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.213944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.213944 (E_RNA) where: Base-Base interactions energy: -53.560 where: short stacking energy: -53.198 Base-Backbone interact. energy: -0.279 local terms energy: -65.374806 where: bonds (distance) C4'-P energy: -11.505 bonds (distance) P-C4' energy: -15.637 flat angles C4'-P-C4' energy: -14.741 flat angles P-C4'-P energy: -9.777 tors. eta vs tors. theta energy: -13.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -98.547459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.547459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.547459 (E_RNA) where: Base-Base interactions energy: -44.865 where: short stacking energy: -44.865 Base-Backbone interact. energy: 0.604 local terms energy: -54.286069 where: bonds (distance) C4'-P energy: -11.634 bonds (distance) P-C4' energy: -12.258 flat angles C4'-P-C4' energy: -17.905 flat angles P-C4'-P energy: -12.017 tors. eta vs tors. theta energy: -0.472 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: 2 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -213.734661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.734661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.734661 (E_RNA) where: Base-Base interactions energy: -114.396 where: short stacking energy: -114.396 Base-Backbone interact. energy: -0.030 local terms energy: -99.308222 where: bonds (distance) C4'-P energy: -20.245 bonds (distance) P-C4' energy: -21.299 flat angles C4'-P-C4' energy: -20.876 flat angles P-C4'-P energy: -11.169 tors. eta vs tors. theta energy: -25.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -199.351359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.351359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.351359 (E_RNA) where: Base-Base interactions energy: -111.023 where: short stacking energy: -111.023 Base-Backbone interact. energy: -0.203 local terms energy: -88.125526 where: bonds (distance) C4'-P energy: -18.679 bonds (distance) P-C4' energy: -16.348 flat angles C4'-P-C4' energy: -19.725 flat angles P-C4'-P energy: -12.822 tors. eta vs tors. theta energy: -20.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -201.596936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.596936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.596936 (E_RNA) where: Base-Base interactions energy: -105.803 where: short stacking energy: -105.803 Base-Backbone interact. energy: -0.008 local terms energy: -95.786362 where: bonds (distance) C4'-P energy: -18.319 bonds (distance) P-C4' energy: -20.302 flat angles C4'-P-C4' energy: -19.163 flat angles P-C4'-P energy: -13.116 tors. eta vs tors. theta energy: -24.886 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: 8 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -166.415421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.415421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.415421 (E_RNA) where: Base-Base interactions energy: -81.865 where: short stacking energy: -79.119 Base-Backbone interact. energy: -0.083 local terms energy: -84.467684 where: bonds (distance) C4'-P energy: -18.220 bonds (distance) P-C4' energy: -19.862 flat angles C4'-P-C4' energy: -17.669 flat angles P-C4'-P energy: -14.102 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: 5, replica: 7 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -158.459840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.459840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.459840 (E_RNA) where: Base-Base interactions energy: -81.263 where: short stacking energy: -81.263 Base-Backbone interact. energy: -0.090 local terms energy: -77.106533 where: bonds (distance) C4'-P energy: -14.423 bonds (distance) P-C4' energy: -14.716 flat angles C4'-P-C4' energy: -19.357 flat angles P-C4'-P energy: -13.831 tors. eta vs tors. theta energy: -14.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -158.138992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.138992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.138992 (E_RNA) where: Base-Base interactions energy: -83.057 where: short stacking energy: -83.057 Base-Backbone interact. energy: -0.196 local terms energy: -74.885962 where: bonds (distance) C4'-P energy: -15.358 bonds (distance) P-C4' energy: -17.405 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -8.019 tors. eta vs tors. theta energy: -20.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -151.910163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.910163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.910163 (E_RNA) where: Base-Base interactions energy: -76.670 where: short stacking energy: -76.670 Base-Backbone interact. energy: 0.252 local terms energy: -75.492089 where: bonds (distance) C4'-P energy: -11.526 bonds (distance) P-C4' energy: -15.267 flat angles C4'-P-C4' energy: -18.958 flat angles P-C4'-P energy: -16.753 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: 8, replica: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -129.905786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.905786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.905786 (E_RNA) where: Base-Base interactions energy: -53.186 where: short stacking energy: -53.186 Base-Backbone interact. energy: -0.077 local terms energy: -76.642607 where: bonds (distance) C4'-P energy: -17.028 bonds (distance) P-C4' energy: -18.240 flat angles C4'-P-C4' energy: -16.582 flat angles P-C4'-P energy: -13.788 tors. eta vs tors. theta energy: -11.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -115.329449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.329449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.329449 (E_RNA) where: Base-Base interactions energy: -53.204 where: short stacking energy: -53.143 Base-Backbone interact. energy: -0.183 local terms energy: -61.941654 where: bonds (distance) C4'-P energy: -15.508 bonds (distance) P-C4' energy: -16.696 flat angles C4'-P-C4' energy: -16.884 flat angles P-C4'-P energy: -9.477 tors. eta vs tors. theta energy: -3.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -116.277477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.277477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.277477 (E_RNA) where: Base-Base interactions energy: -47.236 where: short stacking energy: -47.221 Base-Backbone interact. energy: -0.058 local terms energy: -68.984121 where: bonds (distance) C4'-P energy: -15.512 bonds (distance) P-C4' energy: -17.544 flat angles C4'-P-C4' energy: -15.954 flat angles P-C4'-P energy: -12.655 tors. eta vs tors. theta energy: -7.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -199.065035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.065035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.065035 (E_RNA) where: Base-Base interactions energy: -107.806 where: short stacking energy: -107.479 Base-Backbone interact. energy: -0.003 local terms energy: -91.255383 where: bonds (distance) C4'-P energy: -18.978 bonds (distance) P-C4' energy: -15.351 flat angles C4'-P-C4' energy: -19.836 flat angles P-C4'-P energy: -13.124 tors. eta vs tors. theta energy: -23.966 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: 2 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -206.336335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.336335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.336335 (E_RNA) where: Base-Base interactions energy: -114.047 where: short stacking energy: -114.047 Base-Backbone interact. energy: -0.029 local terms energy: -92.259782 where: bonds (distance) C4'-P energy: -19.139 bonds (distance) P-C4' energy: -15.946 flat angles C4'-P-C4' energy: -20.893 flat angles P-C4'-P energy: -11.271 tors. eta vs tors. theta energy: -25.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -201.767137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.767137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.767137 (E_RNA) where: Base-Base interactions energy: -107.606 where: short stacking energy: -107.489 Base-Backbone interact. energy: -0.020 local terms energy: -94.141206 where: bonds (distance) C4'-P energy: -18.585 bonds (distance) P-C4' energy: -21.180 flat angles C4'-P-C4' energy: -19.411 flat angles P-C4'-P energy: -10.137 tors. eta vs tors. theta energy: -24.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -178.948033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.948033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.948033 (E_RNA) where: Base-Base interactions energy: -96.125 where: short stacking energy: -96.125 Base-Backbone interact. energy: 0.204 local terms energy: -83.026450 where: bonds (distance) C4'-P energy: -18.305 bonds (distance) P-C4' energy: -17.796 flat angles C4'-P-C4' energy: -17.532 flat angles P-C4'-P energy: -5.981 tors. eta vs tors. theta energy: -23.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -169.311012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.311012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.311012 (E_RNA) where: Base-Base interactions energy: -99.927 where: short stacking energy: -99.927 Base-Backbone interact. energy: -0.017 local terms energy: -69.367615 where: bonds (distance) C4'-P energy: -9.622 bonds (distance) P-C4' energy: -9.992 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -15.987 tors. eta vs tors. theta energy: -19.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -147.824059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.824059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.824059 (E_RNA) where: Base-Base interactions energy: -75.348 where: short stacking energy: -75.348 Base-Backbone interact. energy: -0.145 local terms energy: -72.330823 where: bonds (distance) C4'-P energy: -21.224 bonds (distance) P-C4' energy: -17.205 flat angles C4'-P-C4' energy: -11.189 flat angles P-C4'-P energy: -5.913 tors. eta vs tors. theta energy: -16.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -148.304938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.304938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.304938 (E_RNA) where: Base-Base interactions energy: -71.796 where: short stacking energy: -66.130 Base-Backbone interact. energy: 0.549 local terms energy: -77.057595 where: bonds (distance) C4'-P energy: -16.471 bonds (distance) P-C4' energy: -17.896 flat angles C4'-P-C4' energy: -16.036 flat angles P-C4'-P energy: -13.129 tors. eta vs tors. theta energy: -13.526 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: 1 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -123.716246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.716246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.716246 (E_RNA) where: Base-Base interactions energy: -52.650 where: short stacking energy: -52.650 Base-Backbone interact. energy: -1.792 local terms energy: -69.274125 where: bonds (distance) C4'-P energy: -15.400 bonds (distance) P-C4' energy: -15.820 flat angles C4'-P-C4' energy: -16.681 flat angles P-C4'-P energy: -9.078 tors. eta vs tors. theta energy: -12.295 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: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -126.305710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.305710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.305710 (E_RNA) where: Base-Base interactions energy: -66.988 where: short stacking energy: -66.988 Base-Backbone interact. energy: -0.062 local terms energy: -59.255258 where: bonds (distance) C4'-P energy: -11.607 bonds (distance) P-C4' energy: -16.137 flat angles C4'-P-C4' energy: -12.526 flat angles P-C4'-P energy: -10.603 tors. eta vs tors. theta energy: -8.382 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: 378 Temperature: 1.350000 Total energy: -115.952501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.952501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.952501 (E_RNA) where: Base-Base interactions energy: -54.137 where: short stacking energy: -53.585 Base-Backbone interact. energy: -0.538 local terms energy: -61.277683 where: bonds (distance) C4'-P energy: -11.235 bonds (distance) P-C4' energy: -20.486 flat angles C4'-P-C4' energy: -17.003 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -7.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -198.222301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.222301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.222301 (E_RNA) where: Base-Base interactions energy: -100.008 where: short stacking energy: -100.008 Base-Backbone interact. energy: -0.445 local terms energy: -97.769223 where: bonds (distance) C4'-P energy: -19.917 bonds (distance) P-C4' energy: -17.316 flat angles C4'-P-C4' energy: -19.975 flat angles P-C4'-P energy: -13.936 tors. eta vs tors. theta energy: -26.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -199.798949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.798949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.798949 (E_RNA) where: Base-Base interactions energy: -106.743 where: short stacking energy: -106.743 Base-Backbone interact. energy: -0.004 local terms energy: -93.051545 where: bonds (distance) C4'-P energy: -18.277 bonds (distance) P-C4' energy: -20.451 flat angles C4'-P-C4' energy: -17.685 flat angles P-C4'-P energy: -13.310 tors. eta vs tors. theta energy: -23.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -183.700382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.700382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.700382 (E_RNA) where: Base-Base interactions energy: -96.890 where: short stacking energy: -96.890 Base-Backbone interact. energy: -0.023 local terms energy: -86.787281 where: bonds (distance) C4'-P energy: -16.283 bonds (distance) P-C4' energy: -16.627 flat angles C4'-P-C4' energy: -17.269 flat angles P-C4'-P energy: -12.934 tors. eta vs tors. theta energy: -23.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -191.268516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.268516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.268516 (E_RNA) where: Base-Base interactions energy: -99.809 where: short stacking energy: -99.809 Base-Backbone interact. energy: -0.020 local terms energy: -91.439518 where: bonds (distance) C4'-P energy: -18.558 bonds (distance) P-C4' energy: -18.921 flat angles C4'-P-C4' energy: -15.283 flat angles P-C4'-P energy: -15.260 tors. eta vs tors. theta energy: -23.417 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: 5, replica: 9 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -184.944053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.944053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.944053 (E_RNA) where: Base-Base interactions energy: -101.624 where: short stacking energy: -101.624 Base-Backbone interact. energy: -0.041 local terms energy: -83.279659 where: bonds (distance) C4'-P energy: -16.332 bonds (distance) P-C4' energy: -16.334 flat angles C4'-P-C4' energy: -19.598 flat angles P-C4'-P energy: -8.368 tors. eta vs tors. theta energy: -22.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -136.246712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.246712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.246712 (E_RNA) where: Base-Base interactions energy: -67.808 where: short stacking energy: -67.236 Base-Backbone interact. energy: -0.049 local terms energy: -68.389424 where: bonds (distance) C4'-P energy: -15.298 bonds (distance) P-C4' energy: -17.915 flat angles C4'-P-C4' energy: -19.360 flat angles P-C4'-P energy: -7.406 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: 5 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -139.305474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.305474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.305474 (E_RNA) where: Base-Base interactions energy: -60.768 where: short stacking energy: -55.913 Base-Backbone interact. energy: -0.097 local terms energy: -78.440443 where: bonds (distance) C4'-P energy: -16.712 bonds (distance) P-C4' energy: -23.107 flat angles C4'-P-C4' energy: -16.102 flat angles P-C4'-P energy: -10.801 tors. eta vs tors. theta energy: -11.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -137.010062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.010062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.010062 (E_RNA) where: Base-Base interactions energy: -79.464 where: short stacking energy: -78.615 Base-Backbone interact. energy: -0.006 local terms energy: -57.540004 where: bonds (distance) C4'-P energy: -18.042 bonds (distance) P-C4' energy: -17.060 flat angles C4'-P-C4' energy: -9.233 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -8.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -111.222883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.222883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.222883 (E_RNA) where: Base-Base interactions energy: -51.274 where: short stacking energy: -52.074 Base-Backbone interact. energy: -0.082 local terms energy: -59.866611 where: bonds (distance) C4'-P energy: -13.926 bonds (distance) P-C4' energy: -15.201 flat angles C4'-P-C4' energy: -16.588 flat angles P-C4'-P energy: -11.332 tors. eta vs tors. theta energy: -2.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -123.727629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.727629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.727629 (E_RNA) where: Base-Base interactions energy: -58.684 where: short stacking energy: -58.684 Base-Backbone interact. energy: -0.291 local terms energy: -64.752384 where: bonds (distance) C4'-P energy: -8.722 bonds (distance) P-C4' energy: -17.878 flat angles C4'-P-C4' energy: -11.565 flat angles P-C4'-P energy: -13.206 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: 1, replica: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -218.637218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.637218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.637218 (E_RNA) where: Base-Base interactions energy: -114.218 where: short stacking energy: -114.218 Base-Backbone interact. energy: -0.005 local terms energy: -104.414905 where: bonds (distance) C4'-P energy: -21.122 bonds (distance) P-C4' energy: -21.249 flat angles C4'-P-C4' energy: -19.175 flat angles P-C4'-P energy: -14.924 tors. eta vs tors. theta energy: -27.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -195.159500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.159500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.159500 (E_RNA) where: Base-Base interactions energy: -101.156 where: short stacking energy: -101.156 Base-Backbone interact. energy: -0.013 local terms energy: -93.991108 where: bonds (distance) C4'-P energy: -17.923 bonds (distance) P-C4' energy: -18.932 flat angles C4'-P-C4' energy: -22.123 flat angles P-C4'-P energy: -13.875 tors. eta vs tors. theta energy: -21.137 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: 380 Temperature: 1.000000 Total energy: -191.067633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.067633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.067633 (E_RNA) where: Base-Base interactions energy: -106.377 where: short stacking energy: -106.377 Base-Backbone interact. energy: -0.009 local terms energy: -84.681516 where: bonds (distance) C4'-P energy: -18.249 bonds (distance) P-C4' energy: -18.306 flat angles C4'-P-C4' energy: -17.477 flat angles P-C4'-P energy: -10.032 tors. eta vs tors. theta energy: -20.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -186.945453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.945453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.945453 (E_RNA) where: Base-Base interactions energy: -94.818 where: short stacking energy: -94.818 Base-Backbone interact. energy: 0.058 local terms energy: -92.185942 where: bonds (distance) C4'-P energy: -20.894 bonds (distance) P-C4' energy: -19.996 flat angles C4'-P-C4' energy: -18.578 flat angles P-C4'-P energy: -11.512 tors. eta vs tors. theta energy: -21.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -165.521231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.521231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.521231 (E_RNA) where: Base-Base interactions energy: -92.514 where: short stacking energy: -92.514 Base-Backbone interact. energy: -0.058 local terms energy: -72.949402 where: bonds (distance) C4'-P energy: -15.148 bonds (distance) P-C4' energy: -17.728 flat angles C4'-P-C4' energy: -16.211 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -20.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -140.670007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.670007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.670007 (E_RNA) where: Base-Base interactions energy: -71.120 where: short stacking energy: -71.120 Base-Backbone interact. energy: -0.007 local terms energy: -69.543355 where: bonds (distance) C4'-P energy: -18.783 bonds (distance) P-C4' energy: -12.875 flat angles C4'-P-C4' energy: -14.718 flat angles P-C4'-P energy: -10.236 tors. eta vs tors. theta energy: -12.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -148.045650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.045650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.045650 (E_RNA) where: Base-Base interactions energy: -75.075 where: short stacking energy: -75.075 Base-Backbone interact. energy: -0.009 local terms energy: -72.961700 where: bonds (distance) C4'-P energy: -14.098 bonds (distance) P-C4' energy: -16.116 flat angles C4'-P-C4' energy: -17.009 flat angles P-C4'-P energy: -11.887 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: 8, replica: 5 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -136.480536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.480536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.480536 (E_RNA) where: Base-Base interactions energy: -68.215 where: short stacking energy: -68.215 Base-Backbone interact. energy: 0.778 local terms energy: -69.043082 where: bonds (distance) C4'-P energy: -11.381 bonds (distance) P-C4' energy: -13.975 flat angles C4'-P-C4' energy: -22.298 flat angles P-C4'-P energy: -9.006 tors. eta vs tors. theta energy: -12.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -118.721329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.721329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.721329 (E_RNA) where: Base-Base interactions energy: -56.280 where: short stacking energy: -56.280 Base-Backbone interact. energy: -0.063 local terms energy: -62.378491 where: bonds (distance) C4'-P energy: -9.290 bonds (distance) P-C4' energy: -13.641 flat angles C4'-P-C4' energy: -16.736 flat angles P-C4'-P energy: -11.703 tors. eta vs tors. theta energy: -11.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -107.576757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.576757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.576757 (E_RNA) where: Base-Base interactions energy: -49.299 where: short stacking energy: -49.280 Base-Backbone interact. energy: -0.415 local terms energy: -57.862721 where: bonds (distance) C4'-P energy: -15.781 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -15.317 flat angles P-C4'-P energy: -6.284 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: 1, replica: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -210.835720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.835720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.835720 (E_RNA) where: Base-Base interactions energy: -116.426 where: short stacking energy: -116.426 Base-Backbone interact. energy: -0.000 local terms energy: -94.409755 where: bonds (distance) C4'-P energy: -16.727 bonds (distance) P-C4' energy: -18.942 flat angles C4'-P-C4' energy: -20.353 flat angles P-C4'-P energy: -12.030 tors. eta vs tors. theta energy: -26.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -212.621386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.621386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.621386 (E_RNA) where: Base-Base interactions energy: -111.859 where: short stacking energy: -111.859 Base-Backbone interact. energy: -0.031 local terms energy: -100.731726 where: bonds (distance) C4'-P energy: -15.259 bonds (distance) P-C4' energy: -20.007 flat angles C4'-P-C4' energy: -22.500 flat angles P-C4'-P energy: -17.512 tors. eta vs tors. theta energy: -25.453 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: 381 Temperature: 1.000000 Total energy: -195.996005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.996005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.996005 (E_RNA) where: Base-Base interactions energy: -109.603 where: short stacking energy: -109.603 Base-Backbone interact. energy: 1.454 local terms energy: -87.846579 where: bonds (distance) C4'-P energy: -17.901 bonds (distance) P-C4' energy: -18.485 flat angles C4'-P-C4' energy: -19.030 flat angles P-C4'-P energy: -8.708 tors. eta vs tors. theta energy: -23.722 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: 4, replica: 2 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -186.488418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.488418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.488418 (E_RNA) where: Base-Base interactions energy: -97.367 where: short stacking energy: -96.380 Base-Backbone interact. energy: -0.004 local terms energy: -89.117022 where: bonds (distance) C4'-P energy: -21.640 bonds (distance) P-C4' energy: -17.132 flat angles C4'-P-C4' energy: -17.494 flat angles P-C4'-P energy: -9.762 tors. eta vs tors. theta energy: -23.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -170.574698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.574698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.574698 (E_RNA) where: Base-Base interactions energy: -83.688 where: short stacking energy: -83.688 Base-Backbone interact. energy: -0.026 local terms energy: -86.860686 where: bonds (distance) C4'-P energy: -15.089 bonds (distance) P-C4' energy: -19.949 flat angles C4'-P-C4' energy: -19.380 flat angles P-C4'-P energy: -9.336 tors. eta vs tors. theta energy: -23.107 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: 1 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -176.987851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.987851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.987851 (E_RNA) where: Base-Base interactions energy: -97.392 where: short stacking energy: -97.392 Base-Backbone interact. energy: -0.104 local terms energy: -79.491794 where: bonds (distance) C4'-P energy: -15.330 bonds (distance) P-C4' energy: -17.860 flat angles C4'-P-C4' energy: -17.414 flat angles P-C4'-P energy: -11.587 tors. eta vs tors. theta energy: -17.301 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: 9 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -118.654414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.654414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.654414 (E_RNA) where: Base-Base interactions energy: -49.767 where: short stacking energy: -49.767 Base-Backbone interact. energy: -0.372 local terms energy: -68.515493 where: bonds (distance) C4'-P energy: -17.782 bonds (distance) P-C4' energy: -19.189 flat angles C4'-P-C4' energy: -16.955 flat angles P-C4'-P energy: -10.607 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: 8, replica: 3 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -124.072374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.072374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.072374 (E_RNA) where: Base-Base interactions energy: -61.243 where: short stacking energy: -61.243 Base-Backbone interact. energy: -0.165 local terms energy: -62.664030 where: bonds (distance) C4'-P energy: -15.331 bonds (distance) P-C4' energy: -15.606 flat angles C4'-P-C4' energy: -18.174 flat angles P-C4'-P energy: -10.489 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: 5 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -133.568874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.568874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.568874 (E_RNA) where: Base-Base interactions energy: -66.322 where: short stacking energy: -66.322 Base-Backbone interact. energy: -0.033 local terms energy: -67.213640 where: bonds (distance) C4'-P energy: -16.066 bonds (distance) P-C4' energy: -18.266 flat angles C4'-P-C4' energy: -12.706 flat angles P-C4'-P energy: -8.275 tors. eta vs tors. theta energy: -11.901 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: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -109.622027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.622027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.622027 (E_RNA) where: Base-Base interactions energy: -47.983 where: short stacking energy: -47.983 Base-Backbone interact. energy: 0.267 local terms energy: -61.905968 where: bonds (distance) C4'-P energy: -17.169 bonds (distance) P-C4' energy: -19.498 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -7.188 tors. eta vs tors. theta energy: -3.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -203.028882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.028882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.028882 (E_RNA) where: Base-Base interactions energy: -111.236 where: short stacking energy: -111.236 Base-Backbone interact. energy: -0.018 local terms energy: -91.775420 where: bonds (distance) C4'-P energy: -17.575 bonds (distance) P-C4' energy: -18.813 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -16.705 tors. eta vs tors. theta energy: -23.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -191.421363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.421363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.421363 (E_RNA) where: Base-Base interactions energy: -100.246 where: short stacking energy: -100.246 Base-Backbone interact. energy: -0.047 local terms energy: -91.128185 where: bonds (distance) C4'-P energy: -14.633 bonds (distance) P-C4' energy: -18.840 flat angles C4'-P-C4' energy: -20.675 flat angles P-C4'-P energy: -15.408 tors. eta vs tors. theta energy: -21.572 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: 3, replica: 4 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -200.763043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.763043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.763043 (E_RNA) where: Base-Base interactions energy: -110.405 where: short stacking energy: -110.405 Base-Backbone interact. energy: -0.001 local terms energy: -90.356989 where: bonds (distance) C4'-P energy: -17.682 bonds (distance) P-C4' energy: -16.348 flat angles C4'-P-C4' energy: -20.216 flat angles P-C4'-P energy: -13.282 tors. eta vs tors. theta energy: -22.829 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: 2 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -169.536888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.536888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.536888 (E_RNA) where: Base-Base interactions energy: -84.629 where: short stacking energy: -82.802 Base-Backbone interact. energy: -0.138 local terms energy: -84.769690 where: bonds (distance) C4'-P energy: -18.039 bonds (distance) P-C4' energy: -20.014 flat angles C4'-P-C4' energy: -17.836 flat angles P-C4'-P energy: -10.217 tors. eta vs tors. theta energy: -18.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -168.504648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.504648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.504648 (E_RNA) where: Base-Base interactions energy: -83.926 where: short stacking energy: -83.926 Base-Backbone interact. energy: -0.382 local terms energy: -84.197240 where: bonds (distance) C4'-P energy: -18.616 bonds (distance) P-C4' energy: -18.775 flat angles C4'-P-C4' energy: -19.705 flat angles P-C4'-P energy: -12.540 tors. eta vs tors. theta energy: -14.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -145.918900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.918900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.918900 (E_RNA) where: Base-Base interactions energy: -81.255 where: short stacking energy: -81.255 Base-Backbone interact. energy: -0.160 local terms energy: -64.503749 where: bonds (distance) C4'-P energy: -12.005 bonds (distance) P-C4' energy: -16.749 flat angles C4'-P-C4' energy: -12.889 flat angles P-C4'-P energy: -9.313 tors. eta vs tors. theta energy: -13.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -133.600648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.600648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.600648 (E_RNA) where: Base-Base interactions energy: -68.779 where: short stacking energy: -64.407 Base-Backbone interact. energy: -0.011 local terms energy: -64.810419 where: bonds (distance) C4'-P energy: -17.169 bonds (distance) P-C4' energy: -15.105 flat angles C4'-P-C4' energy: -12.049 flat angles P-C4'-P energy: -7.093 tors. eta vs tors. theta energy: -13.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -132.998917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.998917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.998917 (E_RNA) where: Base-Base interactions energy: -67.580 where: short stacking energy: -65.483 Base-Backbone interact. energy: -0.105 local terms energy: -65.314455 where: bonds (distance) C4'-P energy: -12.448 bonds (distance) P-C4' energy: -16.887 flat angles C4'-P-C4' energy: -13.846 flat angles P-C4'-P energy: -9.382 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: 9, replica: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -122.545303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.545303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.545303 (E_RNA) where: Base-Base interactions energy: -52.000 where: short stacking energy: -52.000 Base-Backbone interact. energy: -0.752 local terms energy: -69.792607 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -18.994 flat angles C4'-P-C4' energy: -19.363 flat angles P-C4'-P energy: -11.263 tors. eta vs tors. theta energy: -7.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -128.133630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.133630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.133630 (E_RNA) where: Base-Base interactions energy: -52.710 where: short stacking energy: -52.083 Base-Backbone interact. energy: -0.068 local terms energy: -75.355908 where: bonds (distance) C4'-P energy: -21.076 bonds (distance) P-C4' energy: -17.473 flat angles C4'-P-C4' energy: -16.704 flat angles P-C4'-P energy: -10.125 tors. eta vs tors. theta energy: -9.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -207.189363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.189363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.189363 (E_RNA) where: Base-Base interactions energy: -113.891 where: short stacking energy: -113.891 Base-Backbone interact. energy: -0.039 local terms energy: -93.259474 where: bonds (distance) C4'-P energy: -16.071 bonds (distance) P-C4' energy: -17.050 flat angles C4'-P-C4' energy: -19.041 flat angles P-C4'-P energy: -14.881 tors. eta vs tors. theta energy: -26.216 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: 2, replica: 4 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -199.927670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.927670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.927670 (E_RNA) where: Base-Base interactions energy: -107.858 where: short stacking energy: -107.858 Base-Backbone interact. energy: -0.009 local terms energy: -92.060750 where: bonds (distance) C4'-P energy: -17.893 bonds (distance) P-C4' energy: -17.685 flat angles C4'-P-C4' energy: -20.521 flat angles P-C4'-P energy: -11.008 tors. eta vs tors. theta energy: -24.953 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: 383 Temperature: 1.000000 Total energy: -190.469212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.469212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.469212 (E_RNA) where: Base-Base interactions energy: -104.364 where: short stacking energy: -104.364 Base-Backbone interact. energy: 1.179 local terms energy: -87.285141 where: bonds (distance) C4'-P energy: -11.379 bonds (distance) P-C4' energy: -18.700 flat angles C4'-P-C4' energy: -21.461 flat angles P-C4'-P energy: -13.319 tors. eta vs tors. theta energy: -22.426 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: 1 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -165.239819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.239819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.239819 (E_RNA) where: Base-Base interactions energy: -81.334 where: short stacking energy: -81.334 Base-Backbone interact. energy: -0.105 local terms energy: -83.800726 where: bonds (distance) C4'-P energy: -19.978 bonds (distance) P-C4' energy: -18.752 flat angles C4'-P-C4' energy: -17.401 flat angles P-C4'-P energy: -11.951 tors. eta vs tors. theta energy: -15.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -160.500569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.500569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.500569 (E_RNA) where: Base-Base interactions energy: -84.180 where: short stacking energy: -84.180 Base-Backbone interact. energy: -0.024 local terms energy: -76.295965 where: bonds (distance) C4'-P energy: -19.296 bonds (distance) P-C4' energy: -21.020 flat angles C4'-P-C4' energy: -10.213 flat angles P-C4'-P energy: -9.135 tors. eta vs tors. theta energy: -16.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -152.322212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.322212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.322212 (E_RNA) where: Base-Base interactions energy: -73.638 where: short stacking energy: -71.362 Base-Backbone interact. energy: -0.018 local terms energy: -78.666419 where: bonds (distance) C4'-P energy: -19.039 bonds (distance) P-C4' energy: -17.630 flat angles C4'-P-C4' energy: -14.645 flat angles P-C4'-P energy: -12.511 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: 7, replica: 3 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -138.275651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.275651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.275651 (E_RNA) where: Base-Base interactions energy: -73.250 where: short stacking energy: -67.409 Base-Backbone interact. energy: -0.125 local terms energy: -64.900897 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -13.040 flat angles C4'-P-C4' energy: -14.860 flat angles P-C4'-P energy: -9.268 tors. eta vs tors. theta energy: -13.871 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: 10 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -117.680342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.680342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.680342 (E_RNA) where: Base-Base interactions energy: -50.324 where: short stacking energy: -49.968 Base-Backbone interact. energy: -0.184 local terms energy: -67.172141 where: bonds (distance) C4'-P energy: -16.425 bonds (distance) P-C4' energy: -17.618 flat angles C4'-P-C4' energy: -13.192 flat angles P-C4'-P energy: -11.595 tors. eta vs tors. theta energy: -8.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -121.703335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.703335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.703335 (E_RNA) where: Base-Base interactions energy: -59.206 where: short stacking energy: -57.757 Base-Backbone interact. energy: 0.186 local terms energy: -62.683479 where: bonds (distance) C4'-P energy: -7.598 bonds (distance) P-C4' energy: -15.449 flat angles C4'-P-C4' energy: -13.001 flat angles P-C4'-P energy: -13.608 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: 10, replica: 5 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -112.212498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.212498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.212498 (E_RNA) where: Base-Base interactions energy: -49.261 where: short stacking energy: -44.943 Base-Backbone interact. energy: -0.294 local terms energy: -62.657809 where: bonds (distance) C4'-P energy: -17.421 bonds (distance) P-C4' energy: -19.315 flat angles C4'-P-C4' energy: -14.237 flat angles P-C4'-P energy: -8.736 tors. eta vs tors. theta energy: -2.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -225.689531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.689531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.689531 (E_RNA) where: Base-Base interactions energy: -124.864 where: short stacking energy: -124.864 Base-Backbone interact. energy: -0.007 local terms energy: -100.817645 where: bonds (distance) C4'-P energy: -17.530 bonds (distance) P-C4' energy: -17.500 flat angles C4'-P-C4' energy: -20.234 flat angles P-C4'-P energy: -16.501 tors. eta vs tors. theta energy: -29.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -198.986690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.986690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.986690 (E_RNA) where: Base-Base interactions energy: -106.459 where: short stacking energy: -106.459 Base-Backbone interact. energy: -0.000 local terms energy: -92.527429 where: bonds (distance) C4'-P energy: -15.198 bonds (distance) P-C4' energy: -18.776 flat angles C4'-P-C4' energy: -21.312 flat angles P-C4'-P energy: -11.901 tors. eta vs tors. theta energy: -25.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -197.413514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.413514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.413514 (E_RNA) where: Base-Base interactions energy: -103.640 where: short stacking energy: -103.640 Base-Backbone interact. energy: -0.031 local terms energy: -93.742197 where: bonds (distance) C4'-P energy: -18.181 bonds (distance) P-C4' energy: -16.936 flat angles C4'-P-C4' energy: -22.171 flat angles P-C4'-P energy: -13.147 tors. eta vs tors. theta energy: -23.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -180.151864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.151864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.151864 (E_RNA) where: Base-Base interactions energy: -91.769 where: short stacking energy: -91.769 Base-Backbone interact. energy: -0.012 local terms energy: -88.371196 where: bonds (distance) C4'-P energy: -16.853 bonds (distance) P-C4' energy: -16.795 flat angles C4'-P-C4' energy: -18.507 flat angles P-C4'-P energy: -14.727 tors. eta vs tors. theta energy: -21.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -164.363762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.363762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.363762 (E_RNA) where: Base-Base interactions energy: -80.385 where: short stacking energy: -80.311 Base-Backbone interact. energy: -0.000 local terms energy: -83.978099 where: bonds (distance) C4'-P energy: -15.064 bonds (distance) P-C4' energy: -20.651 flat angles C4'-P-C4' energy: -20.830 flat angles P-C4'-P energy: -8.425 tors. eta vs tors. theta energy: -19.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -141.864511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.864511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.864511 (E_RNA) where: Base-Base interactions energy: -68.273 where: short stacking energy: -67.953 Base-Backbone interact. energy: 0.539 local terms energy: -74.130441 where: bonds (distance) C4'-P energy: -18.538 bonds (distance) P-C4' energy: -16.156 flat angles C4'-P-C4' energy: -15.380 flat angles P-C4'-P energy: -14.313 tors. eta vs tors. theta energy: -9.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -150.228452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.228452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.228452 (E_RNA) where: Base-Base interactions energy: -80.426 where: short stacking energy: -80.426 Base-Backbone interact. energy: 1.981 local terms energy: -71.783582 where: bonds (distance) C4'-P energy: -18.036 bonds (distance) P-C4' energy: -19.929 flat angles C4'-P-C4' energy: -16.068 flat angles P-C4'-P energy: -10.116 tors. eta vs tors. theta energy: -7.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -134.072043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.072043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.072043 (E_RNA) where: Base-Base interactions energy: -66.954 where: short stacking energy: -66.954 Base-Backbone interact. energy: -0.094 local terms energy: -67.023090 where: bonds (distance) C4'-P energy: -16.926 bonds (distance) P-C4' energy: -16.194 flat angles C4'-P-C4' energy: -15.593 flat angles P-C4'-P energy: -10.436 tors. eta vs tors. theta energy: -7.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -118.905920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.905920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.905920 (E_RNA) where: Base-Base interactions energy: -57.503 where: short stacking energy: -57.503 Base-Backbone interact. energy: -0.221 local terms energy: -61.181354 where: bonds (distance) C4'-P energy: -13.665 bonds (distance) P-C4' energy: -17.488 flat angles C4'-P-C4' energy: -19.853 flat angles P-C4'-P energy: -6.181 tors. eta vs tors. theta energy: -3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -104.486406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.486406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.486406 (E_RNA) where: Base-Base interactions energy: -42.512 where: short stacking energy: -42.512 Base-Backbone interact. energy: 1.219 local terms energy: -63.192745 where: bonds (distance) C4'-P energy: -15.952 bonds (distance) P-C4' energy: -15.902 flat angles C4'-P-C4' energy: -18.929 flat angles P-C4'-P energy: -9.302 tors. eta vs tors. theta energy: -3.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -209.144648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.144648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.144648 (E_RNA) where: Base-Base interactions energy: -106.247 where: short stacking energy: -106.247 Base-Backbone interact. energy: -0.032 local terms energy: -102.865541 where: bonds (distance) C4'-P energy: -21.312 bonds (distance) P-C4' energy: -21.733 flat angles C4'-P-C4' energy: -22.267 flat angles P-C4'-P energy: -13.489 tors. eta vs tors. theta energy: -24.064 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: 1 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -207.776029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.776029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.776029 (E_RNA) where: Base-Base interactions energy: -107.776 where: short stacking energy: -107.776 Base-Backbone interact. energy: -0.009 local terms energy: -99.990837 where: bonds (distance) C4'-P energy: -19.618 bonds (distance) P-C4' energy: -16.459 flat angles C4'-P-C4' energy: -21.814 flat angles P-C4'-P energy: -15.410 tors. eta vs tors. theta energy: -26.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -198.923183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.923183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.923183 (E_RNA) where: Base-Base interactions energy: -108.621 where: short stacking energy: -108.621 Base-Backbone interact. energy: -0.002 local terms energy: -90.300222 where: bonds (distance) C4'-P energy: -15.823 bonds (distance) P-C4' energy: -21.289 flat angles C4'-P-C4' energy: -19.306 flat angles P-C4'-P energy: -7.762 tors. eta vs tors. theta energy: -26.120 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: 385 Temperature: 1.050000 Total energy: -176.553705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.553705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.553705 (E_RNA) where: Base-Base interactions energy: -92.979 where: short stacking energy: -92.979 Base-Backbone interact. energy: -0.019 local terms energy: -83.555440 where: bonds (distance) C4'-P energy: -12.954 bonds (distance) P-C4' energy: -19.400 flat angles C4'-P-C4' energy: -18.312 flat angles P-C4'-P energy: -14.048 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: 5, replica: 7 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -170.358715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.358715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.358715 (E_RNA) where: Base-Base interactions energy: -84.999 where: short stacking energy: -84.999 Base-Backbone interact. energy: -0.001 local terms energy: -85.358819 where: bonds (distance) C4'-P energy: -20.104 bonds (distance) P-C4' energy: -15.411 flat angles C4'-P-C4' energy: -16.544 flat angles P-C4'-P energy: -13.904 tors. eta vs tors. theta energy: -19.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -131.963718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.963718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.963718 (E_RNA) where: Base-Base interactions energy: -62.289 where: short stacking energy: -62.289 Base-Backbone interact. energy: -0.110 local terms energy: -69.564716 where: bonds (distance) C4'-P energy: -11.441 bonds (distance) P-C4' energy: -18.090 flat angles C4'-P-C4' energy: -18.123 flat angles P-C4'-P energy: -11.967 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: 7, replica: 2 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -143.851253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.851253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.851253 (E_RNA) where: Base-Base interactions energy: -77.575 where: short stacking energy: -77.575 Base-Backbone interact. energy: -0.171 local terms energy: -66.105835 where: bonds (distance) C4'-P energy: -11.851 bonds (distance) P-C4' energy: -17.373 flat angles C4'-P-C4' energy: -18.462 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -14.280 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: 5 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -121.475824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.475824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.475824 (E_RNA) where: Base-Base interactions energy: -47.747 where: short stacking energy: -47.747 Base-Backbone interact. energy: 1.343 local terms energy: -75.071981 where: bonds (distance) C4'-P energy: -19.271 bonds (distance) P-C4' energy: -18.604 flat angles C4'-P-C4' energy: -17.504 flat angles P-C4'-P energy: -12.850 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: 3 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -128.485628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.485628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.485628 (E_RNA) where: Base-Base interactions energy: -58.317 where: short stacking energy: -58.148 Base-Backbone interact. energy: -0.485 local terms energy: -69.683516 where: bonds (distance) C4'-P energy: -14.712 bonds (distance) P-C4' energy: -11.777 flat angles C4'-P-C4' energy: -16.921 flat angles P-C4'-P energy: -14.388 tors. eta vs tors. theta energy: -11.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -116.558407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.558407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.558407 (E_RNA) where: Base-Base interactions energy: -51.652 where: short stacking energy: -48.787 Base-Backbone interact. energy: -0.111 local terms energy: -64.795783 where: bonds (distance) C4'-P energy: -20.504 bonds (distance) P-C4' energy: -19.320 flat angles C4'-P-C4' energy: -10.677 flat angles P-C4'-P energy: -8.623 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: 1, replica: 4 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -208.473906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.473906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.473906 (E_RNA) where: Base-Base interactions energy: -111.096 where: short stacking energy: -111.096 Base-Backbone interact. energy: -0.018 local terms energy: -97.360105 where: bonds (distance) C4'-P energy: -16.589 bonds (distance) P-C4' energy: -19.836 flat angles C4'-P-C4' energy: -20.907 flat angles P-C4'-P energy: -14.907 tors. eta vs tors. theta energy: -25.120 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: 1 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -190.252193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.252193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.252193 (E_RNA) where: Base-Base interactions energy: -102.502 where: short stacking energy: -102.502 Base-Backbone interact. energy: -0.004 local terms energy: -87.745698 where: bonds (distance) C4'-P energy: -16.860 bonds (distance) P-C4' energy: -17.651 flat angles C4'-P-C4' energy: -20.052 flat angles P-C4'-P energy: -13.220 tors. eta vs tors. theta energy: -19.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -193.072364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.072364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.072364 (E_RNA) where: Base-Base interactions energy: -101.500 where: short stacking energy: -101.500 Base-Backbone interact. energy: -0.013 local terms energy: -91.559537 where: bonds (distance) C4'-P energy: -16.786 bonds (distance) P-C4' energy: -18.858 flat angles C4'-P-C4' energy: -18.970 flat angles P-C4'-P energy: -13.162 tors. eta vs tors. theta energy: -23.783 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: 4, replica: 8 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -197.302589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.302589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.302589 (E_RNA) where: Base-Base interactions energy: -100.816 where: short stacking energy: -100.816 Base-Backbone interact. energy: -0.005 local terms energy: -96.481795 where: bonds (distance) C4'-P energy: -18.532 bonds (distance) P-C4' energy: -21.683 flat angles C4'-P-C4' energy: -19.062 flat angles P-C4'-P energy: -13.043 tors. eta vs tors. theta energy: -24.161 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: 7 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -180.429546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.429546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.429546 (E_RNA) where: Base-Base interactions energy: -97.647 where: short stacking energy: -97.647 Base-Backbone interact. energy: -0.111 local terms energy: -82.670697 where: bonds (distance) C4'-P energy: -19.276 bonds (distance) P-C4' energy: -15.632 flat angles C4'-P-C4' energy: -17.976 flat angles P-C4'-P energy: -10.719 tors. eta vs tors. theta energy: -19.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -167.360690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.360690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.360690 (E_RNA) where: Base-Base interactions energy: -87.978 where: short stacking energy: -87.978 Base-Backbone interact. energy: -0.034 local terms energy: -79.348252 where: bonds (distance) C4'-P energy: -15.051 bonds (distance) P-C4' energy: -17.471 flat angles C4'-P-C4' energy: -16.827 flat angles P-C4'-P energy: -10.861 tors. eta vs tors. theta energy: -19.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -142.558115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.558115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.558115 (E_RNA) where: Base-Base interactions energy: -70.770 where: short stacking energy: -70.770 Base-Backbone interact. energy: 0.150 local terms energy: -71.938151 where: bonds (distance) C4'-P energy: -14.623 bonds (distance) P-C4' energy: -14.334 flat angles C4'-P-C4' energy: -13.690 flat angles P-C4'-P energy: -13.725 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: 8, replica: 2 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -131.632758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.632758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.632758 (E_RNA) where: Base-Base interactions energy: -62.346 where: short stacking energy: -62.346 Base-Backbone interact. energy: -0.200 local terms energy: -69.086090 where: bonds (distance) C4'-P energy: -16.559 bonds (distance) P-C4' energy: -17.361 flat angles C4'-P-C4' energy: -20.415 flat angles P-C4'-P energy: -8.044 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: 9, replica: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -123.324492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.324492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.324492 (E_RNA) where: Base-Base interactions energy: -55.677 where: short stacking energy: -55.677 Base-Backbone interact. energy: -0.107 local terms energy: -67.540255 where: bonds (distance) C4'-P energy: -12.730 bonds (distance) P-C4' energy: -16.219 flat angles C4'-P-C4' energy: -18.888 flat angles P-C4'-P energy: -11.438 tors. eta vs tors. theta energy: -8.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -133.652083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.652083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.652083 (E_RNA) where: Base-Base interactions energy: -62.608 where: short stacking energy: -62.023 Base-Backbone interact. energy: -0.191 local terms energy: -70.853012 where: bonds (distance) C4'-P energy: -17.026 bonds (distance) P-C4' energy: -17.209 flat angles C4'-P-C4' energy: -15.359 flat angles P-C4'-P energy: -12.314 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: 1, replica: 4 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -206.464031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.464031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.464031 (E_RNA) where: Base-Base interactions energy: -115.977 where: short stacking energy: -115.977 Base-Backbone interact. energy: -0.115 local terms energy: -90.372072 where: bonds (distance) C4'-P energy: -14.526 bonds (distance) P-C4' energy: -17.080 flat angles C4'-P-C4' energy: -21.991 flat angles P-C4'-P energy: -10.666 tors. eta vs tors. theta energy: -26.109 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: 387 Temperature: 0.950000 Total energy: -198.495773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.495773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.495773 (E_RNA) where: Base-Base interactions energy: -104.255 where: short stacking energy: -104.255 Base-Backbone interact. energy: -0.100 local terms energy: -94.140485 where: bonds (distance) C4'-P energy: -20.749 bonds (distance) P-C4' energy: -17.771 flat angles C4'-P-C4' energy: -17.681 flat angles P-C4'-P energy: -12.797 tors. eta vs tors. theta energy: -25.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -176.824649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.824649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.824649 (E_RNA) where: Base-Base interactions energy: -97.802 where: short stacking energy: -97.802 Base-Backbone interact. energy: -0.043 local terms energy: -78.979497 where: bonds (distance) C4'-P energy: -13.695 bonds (distance) P-C4' energy: -15.402 flat angles C4'-P-C4' energy: -21.075 flat angles P-C4'-P energy: -13.824 tors. eta vs tors. theta energy: -14.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -177.885979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.885979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.885979 (E_RNA) where: Base-Base interactions energy: -91.090 where: short stacking energy: -91.304 Base-Backbone interact. energy: -0.006 local terms energy: -86.789976 where: bonds (distance) C4'-P energy: -14.816 bonds (distance) P-C4' energy: -19.063 flat angles C4'-P-C4' energy: -20.909 flat angles P-C4'-P energy: -10.564 tors. eta vs tors. theta energy: -21.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -163.666383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.666383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.666383 (E_RNA) where: Base-Base interactions energy: -70.628 where: short stacking energy: -67.829 Base-Backbone interact. energy: -0.075 local terms energy: -92.963300 where: bonds (distance) C4'-P energy: -18.675 bonds (distance) P-C4' energy: -20.862 flat angles C4'-P-C4' energy: -18.900 flat angles P-C4'-P energy: -14.554 tors. eta vs tors. theta energy: -19.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -165.391976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.391976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.391976 (E_RNA) where: Base-Base interactions energy: -89.418 where: short stacking energy: -89.418 Base-Backbone interact. energy: -0.003 local terms energy: -75.971449 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -12.109 flat angles C4'-P-C4' energy: -16.822 flat angles P-C4'-P energy: -12.321 tors. eta vs tors. theta energy: -22.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -157.156407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.156407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.156407 (E_RNA) where: Base-Base interactions energy: -73.300 where: short stacking energy: -73.300 Base-Backbone interact. energy: -0.014 local terms energy: -83.842669 where: bonds (distance) C4'-P energy: -20.264 bonds (distance) P-C4' energy: -20.730 flat angles C4'-P-C4' energy: -19.322 flat angles P-C4'-P energy: -11.511 tors. eta vs tors. theta energy: -12.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -137.169607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.169607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.169607 (E_RNA) where: Base-Base interactions energy: -66.248 where: short stacking energy: -66.248 Base-Backbone interact. energy: -0.211 local terms energy: -70.711094 where: bonds (distance) C4'-P energy: -16.112 bonds (distance) P-C4' energy: -15.816 flat angles C4'-P-C4' energy: -15.470 flat angles P-C4'-P energy: -11.468 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: 9, replica: 2 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -136.236287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.236287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.236287 (E_RNA) where: Base-Base interactions energy: -72.022 where: short stacking energy: -72.022 Base-Backbone interact. energy: 0.362 local terms energy: -64.576334 where: bonds (distance) C4'-P energy: -12.173 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -17.968 flat angles P-C4'-P energy: -9.627 tors. eta vs tors. theta energy: -9.299 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: 3 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -120.325091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.325091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.325091 (E_RNA) where: Base-Base interactions energy: -56.785 where: short stacking energy: -56.785 Base-Backbone interact. energy: -0.219 local terms energy: -63.321222 where: bonds (distance) C4'-P energy: -15.442 bonds (distance) P-C4' energy: -14.657 flat angles C4'-P-C4' energy: -13.025 flat angles P-C4'-P energy: -9.232 tors. eta vs tors. theta energy: -10.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -213.578384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.578384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.578384 (E_RNA) where: Base-Base interactions energy: -115.464 where: short stacking energy: -115.464 Base-Backbone interact. energy: -0.000 local terms energy: -98.114266 where: bonds (distance) C4'-P energy: -16.463 bonds (distance) P-C4' energy: -19.470 flat angles C4'-P-C4' energy: -22.725 flat angles P-C4'-P energy: -14.316 tors. eta vs tors. theta energy: -25.140 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: 388 Temperature: 0.950000 Total energy: -211.904907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.904907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.904907 (E_RNA) where: Base-Base interactions energy: -113.892 where: short stacking energy: -113.892 Base-Backbone interact. energy: -0.019 local terms energy: -97.994300 where: bonds (distance) C4'-P energy: -17.466 bonds (distance) P-C4' energy: -18.538 flat angles C4'-P-C4' energy: -22.020 flat angles P-C4'-P energy: -12.908 tors. eta vs tors. theta energy: -27.063 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: 388 Temperature: 1.000000 Total energy: -177.296391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.296391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.296391 (E_RNA) where: Base-Base interactions energy: -91.226 where: short stacking energy: -91.226 Base-Backbone interact. energy: 1.947 local terms energy: -88.017664 where: bonds (distance) C4'-P energy: -16.733 bonds (distance) P-C4' energy: -18.721 flat angles C4'-P-C4' energy: -20.365 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -20.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -160.788824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.788824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.788824 (E_RNA) where: Base-Base interactions energy: -78.795 where: short stacking energy: -73.765 Base-Backbone interact. energy: -0.099 local terms energy: -81.894772 where: bonds (distance) C4'-P energy: -20.021 bonds (distance) P-C4' energy: -18.716 flat angles C4'-P-C4' energy: -17.504 flat angles P-C4'-P energy: -10.423 tors. eta vs tors. theta energy: -15.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -167.067489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.067489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.067489 (E_RNA) where: Base-Base interactions energy: -90.266 where: short stacking energy: -85.160 Base-Backbone interact. energy: -0.112 local terms energy: -76.689281 where: bonds (distance) C4'-P energy: -13.906 bonds (distance) P-C4' energy: -16.297 flat angles C4'-P-C4' energy: -17.389 flat angles P-C4'-P energy: -10.341 tors. eta vs tors. theta energy: -18.757 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: 10 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -129.669781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.669781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.669781 (E_RNA) where: Base-Base interactions energy: -65.851 where: short stacking energy: -65.850 Base-Backbone interact. energy: -0.105 local terms energy: -63.713874 where: bonds (distance) C4'-P energy: -11.443 bonds (distance) P-C4' energy: -15.331 flat angles C4'-P-C4' energy: -15.321 flat angles P-C4'-P energy: -9.583 tors. eta vs tors. theta energy: -12.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -142.379388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.379388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.379388 (E_RNA) where: Base-Base interactions energy: -70.825 where: short stacking energy: -64.633 Base-Backbone interact. energy: -0.722 local terms energy: -70.832457 where: bonds (distance) C4'-P energy: -12.255 bonds (distance) P-C4' energy: -19.147 flat angles C4'-P-C4' energy: -17.343 flat angles P-C4'-P energy: -12.206 tors. eta vs tors. theta energy: -9.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -131.926259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.926259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.926259 (E_RNA) where: Base-Base interactions energy: -57.993 where: short stacking energy: -57.993 Base-Backbone interact. energy: -0.113 local terms energy: -73.820364 where: bonds (distance) C4'-P energy: -14.498 bonds (distance) P-C4' energy: -18.921 flat angles C4'-P-C4' energy: -16.999 flat angles P-C4'-P energy: -14.052 tors. eta vs tors. theta energy: -9.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -128.617607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.617607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.617607 (E_RNA) where: Base-Base interactions energy: -60.387 where: short stacking energy: -60.387 Base-Backbone interact. energy: -0.164 local terms energy: -68.066695 where: bonds (distance) C4'-P energy: -14.638 bonds (distance) P-C4' energy: -12.006 flat angles C4'-P-C4' energy: -19.983 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: -10.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -124.320298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.320298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.320298 (E_RNA) where: Base-Base interactions energy: -56.673 where: short stacking energy: -56.673 Base-Backbone interact. energy: -0.096 local terms energy: -67.550862 where: bonds (distance) C4'-P energy: -15.589 bonds (distance) P-C4' energy: -19.357 flat angles C4'-P-C4' energy: -11.935 flat angles P-C4'-P energy: -6.109 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: 1, replica: 6 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -218.490249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.490249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.490249 (E_RNA) where: Base-Base interactions energy: -118.984 where: short stacking energy: -118.984 Base-Backbone interact. energy: -0.006 local terms energy: -99.500798 where: bonds (distance) C4'-P energy: -19.893 bonds (distance) P-C4' energy: -19.552 flat angles C4'-P-C4' energy: -19.531 flat angles P-C4'-P energy: -12.672 tors. eta vs tors. theta energy: -27.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -205.215104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.215104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.215104 (E_RNA) where: Base-Base interactions energy: -111.904 where: short stacking energy: -111.904 Base-Backbone interact. energy: -0.000 local terms energy: -93.310748 where: bonds (distance) C4'-P energy: -16.962 bonds (distance) P-C4' energy: -19.321 flat angles C4'-P-C4' energy: -19.263 flat angles P-C4'-P energy: -12.325 tors. eta vs tors. theta energy: -25.440 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: 8 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -194.298981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.298981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.298981 (E_RNA) where: Base-Base interactions energy: -103.896 where: short stacking energy: -103.061 Base-Backbone interact. energy: 0.648 local terms energy: -91.050722 where: bonds (distance) C4'-P energy: -19.275 bonds (distance) P-C4' energy: -17.157 flat angles C4'-P-C4' energy: -19.160 flat angles P-C4'-P energy: -11.600 tors. eta vs tors. theta energy: -23.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -170.328815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.328815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.328815 (E_RNA) where: Base-Base interactions energy: -85.392 where: short stacking energy: -85.402 Base-Backbone interact. energy: -0.871 local terms energy: -84.065531 where: bonds (distance) C4'-P energy: -19.740 bonds (distance) P-C4' energy: -16.212 flat angles C4'-P-C4' energy: -18.944 flat angles P-C4'-P energy: -12.172 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: 5, replica: 1 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -193.001048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.001048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.001048 (E_RNA) where: Base-Base interactions energy: -101.679 where: short stacking energy: -101.679 Base-Backbone interact. energy: -0.240 local terms energy: -91.081915 where: bonds (distance) C4'-P energy: -20.597 bonds (distance) P-C4' energy: -19.585 flat angles C4'-P-C4' energy: -14.808 flat angles P-C4'-P energy: -12.178 tors. eta vs tors. theta energy: -23.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -164.974166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.974166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.974166 (E_RNA) where: Base-Base interactions energy: -91.283 where: short stacking energy: -91.283 Base-Backbone interact. energy: 2.599 local terms energy: -76.289770 where: bonds (distance) C4'-P energy: -16.849 bonds (distance) P-C4' energy: -9.160 flat angles C4'-P-C4' energy: -20.612 flat angles P-C4'-P energy: -9.701 tors. eta vs tors. theta energy: -19.968 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: 10 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -144.783835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.783835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.783835 (E_RNA) where: Base-Base interactions energy: -78.942 where: short stacking energy: -78.378 Base-Backbone interact. energy: -0.135 local terms energy: -65.706821 where: bonds (distance) C4'-P energy: -10.590 bonds (distance) P-C4' energy: -15.231 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -11.243 tors. eta vs tors. theta energy: -14.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -116.825590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.825590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.825590 (E_RNA) where: Base-Base interactions energy: -54.798 where: short stacking energy: -51.947 Base-Backbone interact. energy: 0.439 local terms energy: -62.466315 where: bonds (distance) C4'-P energy: -9.539 bonds (distance) P-C4' energy: -17.631 flat angles C4'-P-C4' energy: -20.129 flat angles P-C4'-P energy: -12.228 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: 9, replica: 5 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -113.185388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.185388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.185388 (E_RNA) where: Base-Base interactions energy: -50.102 where: short stacking energy: -50.102 Base-Backbone interact. energy: -0.094 local terms energy: -62.989438 where: bonds (distance) C4'-P energy: -11.921 bonds (distance) P-C4' energy: -21.356 flat angles C4'-P-C4' energy: -11.055 flat angles P-C4'-P energy: -12.228 tors. eta vs tors. theta energy: -6.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -124.652972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.652972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.652972 (E_RNA) where: Base-Base interactions energy: -60.194 where: short stacking energy: -57.413 Base-Backbone interact. energy: -0.769 local terms energy: -63.689320 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -18.482 flat angles C4'-P-C4' energy: -14.884 flat angles P-C4'-P energy: -13.502 tors. eta vs tors. theta energy: -8.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -203.164124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.164124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.164124 (E_RNA) where: Base-Base interactions energy: -108.629 where: short stacking energy: -108.929 Base-Backbone interact. energy: -1.000 local terms energy: -93.535414 where: bonds (distance) C4'-P energy: -18.336 bonds (distance) P-C4' energy: -19.816 flat angles C4'-P-C4' energy: -19.327 flat angles P-C4'-P energy: -13.122 tors. eta vs tors. theta energy: -22.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -218.129003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.129003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.129003 (E_RNA) where: Base-Base interactions energy: -122.017 where: short stacking energy: -122.017 Base-Backbone interact. energy: -0.000 local terms energy: -96.112053 where: bonds (distance) C4'-P energy: -16.515 bonds (distance) P-C4' energy: -19.618 flat angles C4'-P-C4' energy: -19.438 flat angles P-C4'-P energy: -14.296 tors. eta vs tors. theta energy: -26.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -194.667347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.667347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.667347 (E_RNA) where: Base-Base interactions energy: -105.386 where: short stacking energy: -105.386 Base-Backbone interact. energy: -0.002 local terms energy: -89.278782 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -16.786 flat angles C4'-P-C4' energy: -21.595 flat angles P-C4'-P energy: -15.641 tors. eta vs tors. theta energy: -20.934 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: 7 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -162.673147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.673147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.673147 (E_RNA) where: Base-Base interactions energy: -73.999 where: short stacking energy: -73.999 Base-Backbone interact. energy: -0.570 local terms energy: -88.104300 where: bonds (distance) C4'-P energy: -19.115 bonds (distance) P-C4' energy: -19.712 flat angles C4'-P-C4' energy: -18.391 flat angles P-C4'-P energy: -13.144 tors. eta vs tors. theta energy: -17.743 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: 5, replica: 1 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -156.694413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.694413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.694413 (E_RNA) where: Base-Base interactions energy: -78.358 where: short stacking energy: -79.102 Base-Backbone interact. energy: -0.122 local terms energy: -78.214872 where: bonds (distance) C4'-P energy: -16.304 bonds (distance) P-C4' energy: -19.969 flat angles C4'-P-C4' energy: -17.705 flat angles P-C4'-P energy: -7.216 tors. eta vs tors. theta energy: -17.022 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: 9 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -144.254689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.254689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.254689 (E_RNA) where: Base-Base interactions energy: -69.949 where: short stacking energy: -69.949 Base-Backbone interact. energy: -0.016 local terms energy: -74.290337 where: bonds (distance) C4'-P energy: -19.445 bonds (distance) P-C4' energy: -14.164 flat angles C4'-P-C4' energy: -17.845 flat angles P-C4'-P energy: -10.197 tors. eta vs tors. theta energy: -12.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -140.201814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.201814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.201814 (E_RNA) where: Base-Base interactions energy: -74.494 where: short stacking energy: -74.075 Base-Backbone interact. energy: -0.379 local terms energy: -65.328824 where: bonds (distance) C4'-P energy: -4.718 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -18.197 flat angles P-C4'-P energy: -14.827 tors. eta vs tors. theta energy: -12.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -125.677553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.677553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.677553 (E_RNA) where: Base-Base interactions energy: -63.861 where: short stacking energy: -63.861 Base-Backbone interact. energy: -0.069 local terms energy: -61.747228 where: bonds (distance) C4'-P energy: -14.515 bonds (distance) P-C4' energy: -15.131 flat angles C4'-P-C4' energy: -12.020 flat angles P-C4'-P energy: -7.394 tors. eta vs tors. theta energy: -12.687 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: 5 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -129.222019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.222019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.222019 (E_RNA) where: Base-Base interactions energy: -60.816 where: short stacking energy: -58.345 Base-Backbone interact. energy: -1.154 local terms energy: -67.252009 where: bonds (distance) C4'-P energy: -18.944 bonds (distance) P-C4' energy: -18.231 flat angles C4'-P-C4' energy: -15.438 flat angles P-C4'-P energy: -11.027 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: 2 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -118.310725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.310725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.310725 (E_RNA) where: Base-Base interactions energy: -63.175 where: short stacking energy: -63.175 Base-Backbone interact. energy: -0.112 local terms energy: -55.023689 where: bonds (distance) C4'-P energy: -16.225 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -14.783 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -11.808 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: 4 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -217.355978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.355978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.355978 (E_RNA) where: Base-Base interactions energy: -120.102 where: short stacking energy: -120.102 Base-Backbone interact. energy: -0.010 local terms energy: -97.244269 where: bonds (distance) C4'-P energy: -17.763 bonds (distance) P-C4' energy: -22.012 flat angles C4'-P-C4' energy: -19.615 flat angles P-C4'-P energy: -10.968 tors. eta vs tors. theta energy: -26.885 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: 2, replica: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -218.805106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.805106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.805106 (E_RNA) where: Base-Base interactions energy: -124.954 where: short stacking energy: -124.954 Base-Backbone interact. energy: -0.023 local terms energy: -93.828488 where: bonds (distance) C4'-P energy: -16.502 bonds (distance) P-C4' energy: -16.278 flat angles C4'-P-C4' energy: -18.211 flat angles P-C4'-P energy: -14.435 tors. eta vs tors. theta energy: -28.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -187.893001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.893001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.893001 (E_RNA) where: Base-Base interactions energy: -93.739 where: short stacking energy: -93.739 Base-Backbone interact. energy: -0.101 local terms energy: -94.053431 where: bonds (distance) C4'-P energy: -19.879 bonds (distance) P-C4' energy: -21.564 flat angles C4'-P-C4' energy: -20.350 flat angles P-C4'-P energy: -13.440 tors. eta vs tors. theta energy: -18.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -173.203115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.203115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.203115 (E_RNA) where: Base-Base interactions energy: -87.003 where: short stacking energy: -87.003 Base-Backbone interact. energy: -0.002 local terms energy: -86.198709 where: bonds (distance) C4'-P energy: -16.766 bonds (distance) P-C4' energy: -18.043 flat angles C4'-P-C4' energy: -18.146 flat angles P-C4'-P energy: -14.811 tors. eta vs tors. theta energy: -18.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -170.222572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.222572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.222572 (E_RNA) where: Base-Base interactions energy: -93.105 where: short stacking energy: -93.105 Base-Backbone interact. energy: 0.229 local terms energy: -77.346975 where: bonds (distance) C4'-P energy: -12.887 bonds (distance) P-C4' energy: -13.569 flat angles C4'-P-C4' energy: -18.626 flat angles P-C4'-P energy: -13.190 tors. eta vs tors. theta energy: -19.075 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: 9 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -163.949615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.949615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.949615 (E_RNA) where: Base-Base interactions energy: -83.922 where: short stacking energy: -83.922 Base-Backbone interact. energy: -0.248 local terms energy: -79.780108 where: bonds (distance) C4'-P energy: -15.387 bonds (distance) P-C4' energy: -18.625 flat angles C4'-P-C4' energy: -16.972 flat angles P-C4'-P energy: -12.113 tors. eta vs tors. theta energy: -16.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -146.405564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.405564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.405564 (E_RNA) where: Base-Base interactions energy: -68.592 where: short stacking energy: -68.592 Base-Backbone interact. energy: -0.335 local terms energy: -77.479140 where: bonds (distance) C4'-P energy: -17.234 bonds (distance) P-C4' energy: -16.851 flat angles C4'-P-C4' energy: -20.020 flat angles P-C4'-P energy: -12.674 tors. eta vs tors. theta energy: -10.700 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: 5 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -126.033737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.033737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.033737 (E_RNA) where: Base-Base interactions energy: -60.825 where: short stacking energy: -60.825 Base-Backbone interact. energy: -0.261 local terms energy: -64.947666 where: bonds (distance) C4'-P energy: -16.188 bonds (distance) P-C4' energy: -19.111 flat angles C4'-P-C4' energy: -11.353 flat angles P-C4'-P energy: -12.176 tors. eta vs tors. theta energy: -6.119 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: 9, replica: 10 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -131.119585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.119585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.119585 (E_RNA) where: Base-Base interactions energy: -60.813 where: short stacking energy: -60.813 Base-Backbone interact. energy: -0.011 local terms energy: -70.295928 where: bonds (distance) C4'-P energy: -18.562 bonds (distance) P-C4' energy: -14.418 flat angles C4'-P-C4' energy: -13.693 flat angles P-C4'-P energy: -9.752 tors. eta vs tors. theta energy: -13.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -110.483190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.483190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.483190 (E_RNA) where: Base-Base interactions energy: -52.205 where: short stacking energy: -52.044 Base-Backbone interact. energy: -0.075 local terms energy: -58.203733 where: bonds (distance) C4'-P energy: -14.404 bonds (distance) P-C4' energy: -12.096 flat angles C4'-P-C4' energy: -13.477 flat angles P-C4'-P energy: -12.538 tors. eta vs tors. theta energy: -5.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -216.010385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.010385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.010385 (E_RNA) where: Base-Base interactions energy: -121.704 where: short stacking energy: -121.704 Base-Backbone interact. energy: -0.103 local terms energy: -94.202797 where: bonds (distance) C4'-P energy: -14.873 bonds (distance) P-C4' energy: -20.362 flat angles C4'-P-C4' energy: -20.430 flat angles P-C4'-P energy: -9.711 tors. eta vs tors. theta energy: -28.827 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: 4 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -202.276141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.276141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.276141 (E_RNA) where: Base-Base interactions energy: -109.647 where: short stacking energy: -109.647 Base-Backbone interact. energy: -0.248 local terms energy: -92.380916 where: bonds (distance) C4'-P energy: -17.781 bonds (distance) P-C4' energy: -19.531 flat angles C4'-P-C4' energy: -19.636 flat angles P-C4'-P energy: -12.760 tors. eta vs tors. theta energy: -22.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -185.469954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.469954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.469954 (E_RNA) where: Base-Base interactions energy: -96.842 where: short stacking energy: -96.842 Base-Backbone interact. energy: -0.366 local terms energy: -88.262702 where: bonds (distance) C4'-P energy: -17.855 bonds (distance) P-C4' energy: -20.168 flat angles C4'-P-C4' energy: -19.365 flat angles P-C4'-P energy: -9.793 tors. eta vs tors. theta energy: -21.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -175.264218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.264218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.264218 (E_RNA) where: Base-Base interactions energy: -90.831 where: short stacking energy: -90.831 Base-Backbone interact. energy: -0.005 local terms energy: -84.428413 where: bonds (distance) C4'-P energy: -19.290 bonds (distance) P-C4' energy: -17.318 flat angles C4'-P-C4' energy: -17.073 flat angles P-C4'-P energy: -10.928 tors. eta vs tors. theta energy: -19.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -176.056862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.056862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.056862 (E_RNA) where: Base-Base interactions energy: -91.449 where: short stacking energy: -90.714 Base-Backbone interact. energy: -0.142 local terms energy: -84.465617 where: bonds (distance) C4'-P energy: -20.340 bonds (distance) P-C4' energy: -16.546 flat angles C4'-P-C4' energy: -17.140 flat angles P-C4'-P energy: -12.050 tors. eta vs tors. theta energy: -18.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -169.838234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.838234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.838234 (E_RNA) where: Base-Base interactions energy: -92.965 where: short stacking energy: -92.965 Base-Backbone interact. energy: -0.201 local terms energy: -76.671421 where: bonds (distance) C4'-P energy: -12.318 bonds (distance) P-C4' energy: -18.444 flat angles C4'-P-C4' energy: -17.908 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: -23.628 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: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -111.482170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.482170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.482170 (E_RNA) where: Base-Base interactions energy: -45.625 where: short stacking energy: -45.456 Base-Backbone interact. energy: -0.302 local terms energy: -65.555174 where: bonds (distance) C4'-P energy: -17.389 bonds (distance) P-C4' energy: -20.215 flat angles C4'-P-C4' energy: -16.995 flat angles P-C4'-P energy: -5.913 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: 8, replica: 3 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -139.130257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.130257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.130257 (E_RNA) where: Base-Base interactions energy: -71.781 where: short stacking energy: -70.694 Base-Backbone interact. energy: -1.552 local terms energy: -65.797321 where: bonds (distance) C4'-P energy: -18.026 bonds (distance) P-C4' energy: -14.175 flat angles C4'-P-C4' energy: -14.774 flat angles P-C4'-P energy: -10.453 tors. eta vs tors. theta energy: -8.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -138.931227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.931227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.931227 (E_RNA) where: Base-Base interactions energy: -60.251 where: short stacking energy: -60.251 Base-Backbone interact. energy: -0.142 local terms energy: -78.538208 where: bonds (distance) C4'-P energy: -19.466 bonds (distance) P-C4' energy: -19.644 flat angles C4'-P-C4' energy: -18.447 flat angles P-C4'-P energy: -9.801 tors. eta vs tors. theta energy: -11.180 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: 392 Temperature: 1.350000 Total energy: -111.686538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.686538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.686538 (E_RNA) where: Base-Base interactions energy: -53.284 where: short stacking energy: -52.709 Base-Backbone interact. energy: 0.790 local terms energy: -59.193132 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -20.822 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -8.024 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: 1, replica: 6 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -225.029601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.029601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.029601 (E_RNA) where: Base-Base interactions energy: -118.317 where: short stacking energy: -118.317 Base-Backbone interact. energy: -0.005 local terms energy: -106.706927 where: bonds (distance) C4'-P energy: -19.776 bonds (distance) P-C4' energy: -20.203 flat angles C4'-P-C4' energy: -23.346 flat angles P-C4'-P energy: -14.902 tors. eta vs tors. theta energy: -28.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -195.139462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.139462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.139462 (E_RNA) where: Base-Base interactions energy: -108.211 where: short stacking energy: -108.211 Base-Backbone interact. energy: -0.001 local terms energy: -86.927255 where: bonds (distance) C4'-P energy: -15.714 bonds (distance) P-C4' energy: -18.241 flat angles C4'-P-C4' energy: -19.548 flat angles P-C4'-P energy: -13.527 tors. eta vs tors. theta energy: -19.896 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: 4 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -190.613589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.613589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.613589 (E_RNA) where: Base-Base interactions energy: -105.317 where: short stacking energy: -105.317 Base-Backbone interact. energy: -0.109 local terms energy: -85.188000 where: bonds (distance) C4'-P energy: -17.765 bonds (distance) P-C4' energy: -15.562 flat angles C4'-P-C4' energy: -18.396 flat angles P-C4'-P energy: -13.320 tors. eta vs tors. theta energy: -20.145 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: 9 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -173.029670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.029670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.029670 (E_RNA) where: Base-Base interactions energy: -96.842 where: short stacking energy: -95.639 Base-Backbone interact. energy: -0.165 local terms energy: -76.022743 where: bonds (distance) C4'-P energy: -13.206 bonds (distance) P-C4' energy: -19.657 flat angles C4'-P-C4' energy: -17.989 flat angles P-C4'-P energy: -7.082 tors. eta vs tors. theta energy: -18.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -174.676461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.676461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.676461 (E_RNA) where: Base-Base interactions energy: -97.147 where: short stacking energy: -97.147 Base-Backbone interact. energy: -0.017 local terms energy: -77.512596 where: bonds (distance) C4'-P energy: -18.382 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -15.926 flat angles P-C4'-P energy: -11.808 tors. eta vs tors. theta energy: -19.214 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: 6, replica: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -174.176884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.176884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.176884 (E_RNA) where: Base-Base interactions energy: -88.140 where: short stacking energy: -88.140 Base-Backbone interact. energy: -0.001 local terms energy: -86.036139 where: bonds (distance) C4'-P energy: -16.278 bonds (distance) P-C4' energy: -17.361 flat angles C4'-P-C4' energy: -18.461 flat angles P-C4'-P energy: -11.643 tors. eta vs tors. theta energy: -22.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -129.836513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.836513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.836513 (E_RNA) where: Base-Base interactions energy: -62.866 where: short stacking energy: -62.855 Base-Backbone interact. energy: -0.510 local terms energy: -66.460431 where: bonds (distance) C4'-P energy: -15.446 bonds (distance) P-C4' energy: -16.689 flat angles C4'-P-C4' energy: -14.665 flat angles P-C4'-P energy: -10.457 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: 8, replica: 2 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -120.722949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.722949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.722949 (E_RNA) where: Base-Base interactions energy: -53.612 where: short stacking energy: -53.612 Base-Backbone interact. energy: -0.901 local terms energy: -66.210125 where: bonds (distance) C4'-P energy: -19.449 bonds (distance) P-C4' energy: -17.187 flat angles C4'-P-C4' energy: -17.277 flat angles P-C4'-P energy: -7.709 tors. eta vs tors. theta energy: -4.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -130.940795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.940795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.940795 (E_RNA) where: Base-Base interactions energy: -60.319 where: short stacking energy: -60.319 Base-Backbone interact. energy: -0.237 local terms energy: -70.384685 where: bonds (distance) C4'-P energy: -15.724 bonds (distance) P-C4' energy: -15.373 flat angles C4'-P-C4' energy: -20.771 flat angles P-C4'-P energy: -8.206 tors. eta vs tors. theta energy: -10.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -104.089012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.089012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.089012 (E_RNA) where: Base-Base interactions energy: -47.255 where: short stacking energy: -47.355 Base-Backbone interact. energy: -0.272 local terms energy: -56.561361 where: bonds (distance) C4'-P energy: -16.663 bonds (distance) P-C4' energy: -11.052 flat angles C4'-P-C4' energy: -16.299 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -9.080 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: 394 Temperature: 0.900000 Total energy: -225.040714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.040714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.040714 (E_RNA) where: Base-Base interactions energy: -120.190 where: short stacking energy: -120.190 Base-Backbone interact. energy: -0.065 local terms energy: -104.786055 where: bonds (distance) C4'-P energy: -19.597 bonds (distance) P-C4' energy: -21.116 flat angles C4'-P-C4' energy: -19.490 flat angles P-C4'-P energy: -15.320 tors. eta vs tors. theta energy: -29.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -195.544177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.544177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.544177 (E_RNA) where: Base-Base interactions energy: -106.200 where: short stacking energy: -106.200 Base-Backbone interact. energy: -0.001 local terms energy: -89.343569 where: bonds (distance) C4'-P energy: -18.037 bonds (distance) P-C4' energy: -17.592 flat angles C4'-P-C4' energy: -18.068 flat angles P-C4'-P energy: -13.222 tors. eta vs tors. theta energy: -22.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -188.101752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.101752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.101752 (E_RNA) where: Base-Base interactions energy: -98.259 where: short stacking energy: -98.259 Base-Backbone interact. energy: -0.012 local terms energy: -89.829859 where: bonds (distance) C4'-P energy: -19.677 bonds (distance) P-C4' energy: -21.532 flat angles C4'-P-C4' energy: -17.526 flat angles P-C4'-P energy: -9.920 tors. eta vs tors. theta energy: -21.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -198.922621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.922621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.922621 (E_RNA) where: Base-Base interactions energy: -102.336 where: short stacking energy: -102.336 Base-Backbone interact. energy: 1.171 local terms energy: -97.757301 where: bonds (distance) C4'-P energy: -18.899 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -21.786 flat angles P-C4'-P energy: -15.676 tors. eta vs tors. theta energy: -24.306 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: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -167.810919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.810919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.810919 (E_RNA) where: Base-Base interactions energy: -83.469 where: short stacking energy: -83.469 Base-Backbone interact. energy: -0.002 local terms energy: -84.340227 where: bonds (distance) C4'-P energy: -15.976 bonds (distance) P-C4' energy: -18.157 flat angles C4'-P-C4' energy: -17.516 flat angles P-C4'-P energy: -16.235 tors. eta vs tors. theta energy: -16.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -161.606257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.606257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.606257 (E_RNA) where: Base-Base interactions energy: -86.315 where: short stacking energy: -86.315 Base-Backbone interact. energy: 0.804 local terms energy: -76.094702 where: bonds (distance) C4'-P energy: -16.458 bonds (distance) P-C4' energy: -17.244 flat angles C4'-P-C4' energy: -15.906 flat angles P-C4'-P energy: -10.831 tors. eta vs tors. theta energy: -15.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -135.849274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.849274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.849274 (E_RNA) where: Base-Base interactions energy: -70.124 where: short stacking energy: -70.124 Base-Backbone interact. energy: -0.148 local terms energy: -65.577864 where: bonds (distance) C4'-P energy: -16.448 bonds (distance) P-C4' energy: -18.121 flat angles C4'-P-C4' energy: -15.329 flat angles P-C4'-P energy: -10.265 tors. eta vs tors. theta energy: -5.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -129.427580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.427580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.427580 (E_RNA) where: Base-Base interactions energy: -62.662 where: short stacking energy: -62.662 Base-Backbone interact. energy: -0.013 local terms energy: -66.752009 where: bonds (distance) C4'-P energy: -16.130 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -12.107 flat angles P-C4'-P energy: -14.537 tors. eta vs tors. theta energy: -9.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -111.044887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.044887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.044887 (E_RNA) where: Base-Base interactions energy: -47.727 where: short stacking energy: -47.727 Base-Backbone interact. energy: -0.126 local terms energy: -63.192122 where: bonds (distance) C4'-P energy: -8.942 bonds (distance) P-C4' energy: -11.881 flat angles C4'-P-C4' energy: -20.037 flat angles P-C4'-P energy: -16.279 tors. eta vs tors. theta energy: -6.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -110.908647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.908647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.908647 (E_RNA) where: Base-Base interactions energy: -52.054 where: short stacking energy: -52.054 Base-Backbone interact. energy: -0.303 local terms energy: -58.551549 where: bonds (distance) C4'-P energy: -14.929 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -15.563 flat angles P-C4'-P energy: -10.374 tors. eta vs tors. theta energy: -5.722 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: 1, replica: 6 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -216.636846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.636846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.636846 (E_RNA) where: Base-Base interactions energy: -116.742 where: short stacking energy: -116.742 Base-Backbone interact. energy: -0.062 local terms energy: -99.833493 where: bonds (distance) C4'-P energy: -19.969 bonds (distance) P-C4' energy: -19.247 flat angles C4'-P-C4' energy: -18.605 flat angles P-C4'-P energy: -14.542 tors. eta vs tors. theta energy: -27.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -198.978332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.978332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.978332 (E_RNA) where: Base-Base interactions energy: -106.482 where: short stacking energy: -106.482 Base-Backbone interact. energy: 2.156 local terms energy: -94.652942 where: bonds (distance) C4'-P energy: -17.006 bonds (distance) P-C4' energy: -20.803 flat angles C4'-P-C4' energy: -19.998 flat angles P-C4'-P energy: -13.339 tors. eta vs tors. theta energy: -23.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -183.537396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.537396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.537396 (E_RNA) where: Base-Base interactions energy: -103.670 where: short stacking energy: -103.670 Base-Backbone interact. energy: -0.011 local terms energy: -79.856683 where: bonds (distance) C4'-P energy: -10.348 bonds (distance) P-C4' energy: -18.116 flat angles C4'-P-C4' energy: -20.703 flat angles P-C4'-P energy: -12.276 tors. eta vs tors. theta energy: -18.414 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: 395 Temperature: 1.050000 Total energy: -158.524705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.524705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.524705 (E_RNA) where: Base-Base interactions energy: -81.352 where: short stacking energy: -81.352 Base-Backbone interact. energy: -0.394 local terms energy: -76.778628 where: bonds (distance) C4'-P energy: -15.471 bonds (distance) P-C4' energy: -17.227 flat angles C4'-P-C4' energy: -19.637 flat angles P-C4'-P energy: -10.912 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: 5, replica: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -156.032952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.032952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.032952 (E_RNA) where: Base-Base interactions energy: -79.518 where: short stacking energy: -81.102 Base-Backbone interact. energy: -0.150 local terms energy: -76.365658 where: bonds (distance) C4'-P energy: -16.195 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -18.244 flat angles P-C4'-P energy: -10.114 tors. eta vs tors. theta energy: -17.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -138.251664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.251664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.251664 (E_RNA) where: Base-Base interactions energy: -69.899 where: short stacking energy: -69.899 Base-Backbone interact. energy: -0.107 local terms energy: -68.246409 where: bonds (distance) C4'-P energy: -18.047 bonds (distance) P-C4' energy: -16.798 flat angles C4'-P-C4' energy: -12.736 flat angles P-C4'-P energy: -12.113 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: 7, replica: 8 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -158.222472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.222472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.222472 (E_RNA) where: Base-Base interactions energy: -87.327 where: short stacking energy: -87.327 Base-Backbone interact. energy: -0.034 local terms energy: -70.861792 where: bonds (distance) C4'-P energy: -16.021 bonds (distance) P-C4' energy: -16.282 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -11.648 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: 8, replica: 10 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -130.880166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.880166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.880166 (E_RNA) where: Base-Base interactions energy: -68.741 where: short stacking energy: -68.741 Base-Backbone interact. energy: -0.255 local terms energy: -61.884030 where: bonds (distance) C4'-P energy: -11.459 bonds (distance) P-C4' energy: -12.415 flat angles C4'-P-C4' energy: -16.514 flat angles P-C4'-P energy: -9.439 tors. eta vs tors. theta energy: -12.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -121.753041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.753041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.753041 (E_RNA) where: Base-Base interactions energy: -59.127 where: short stacking energy: -57.599 Base-Backbone interact. energy: -0.910 local terms energy: -61.716088 where: bonds (distance) C4'-P energy: -11.555 bonds (distance) P-C4' energy: -13.242 flat angles C4'-P-C4' energy: -21.183 flat angles P-C4'-P energy: -7.927 tors. eta vs tors. theta energy: -7.809 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: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -139.527058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.527058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.527058 (E_RNA) where: Base-Base interactions energy: -64.920 where: short stacking energy: -64.920 Base-Backbone interact. energy: -0.100 local terms energy: -74.506999 where: bonds (distance) C4'-P energy: -16.844 bonds (distance) P-C4' energy: -15.613 flat angles C4'-P-C4' energy: -20.280 flat angles P-C4'-P energy: -11.349 tors. eta vs tors. theta energy: -10.420 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: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -210.099354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.099354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.099354 (E_RNA) where: Base-Base interactions energy: -112.490 where: short stacking energy: -112.490 Base-Backbone interact. energy: -0.000 local terms energy: -97.608829 where: bonds (distance) C4'-P energy: -16.315 bonds (distance) P-C4' energy: -19.721 flat angles C4'-P-C4' energy: -21.637 flat angles P-C4'-P energy: -12.038 tors. eta vs tors. theta energy: -27.898 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: 396 Temperature: 0.950000 Total energy: -193.100026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.100026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.100026 (E_RNA) where: Base-Base interactions energy: -102.416 where: short stacking energy: -102.416 Base-Backbone interact. energy: -0.001 local terms energy: -90.682622 where: bonds (distance) C4'-P energy: -17.951 bonds (distance) P-C4' energy: -18.676 flat angles C4'-P-C4' energy: -18.459 flat angles P-C4'-P energy: -14.903 tors. eta vs tors. theta energy: -20.694 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: 9 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -187.261385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.261385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.261385 (E_RNA) where: Base-Base interactions energy: -100.473 where: short stacking energy: -97.428 Base-Backbone interact. energy: -0.735 local terms energy: -86.052602 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -16.350 flat angles C4'-P-C4' energy: -21.615 flat angles P-C4'-P energy: -14.562 tors. eta vs tors. theta energy: -21.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -177.089928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.089928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.089928 (E_RNA) where: Base-Base interactions energy: -94.914 where: short stacking energy: -93.900 Base-Backbone interact. energy: -0.001 local terms energy: -82.175009 where: bonds (distance) C4'-P energy: -13.828 bonds (distance) P-C4' energy: -16.934 flat angles C4'-P-C4' energy: -18.664 flat angles P-C4'-P energy: -11.332 tors. eta vs tors. theta energy: -21.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -177.935941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.935941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.935941 (E_RNA) where: Base-Base interactions energy: -97.819 where: short stacking energy: -97.819 Base-Backbone interact. energy: -1.001 local terms energy: -79.116057 where: bonds (distance) C4'-P energy: -15.620 bonds (distance) P-C4' energy: -12.862 flat angles C4'-P-C4' energy: -18.818 flat angles P-C4'-P energy: -9.444 tors. eta vs tors. theta energy: -22.373 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: 6, replica: 2 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -144.566101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.566101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.566101 (E_RNA) where: Base-Base interactions energy: -62.419 where: short stacking energy: -62.419 Base-Backbone interact. energy: -0.137 local terms energy: -82.009745 where: bonds (distance) C4'-P energy: -15.508 bonds (distance) P-C4' energy: -15.778 flat angles C4'-P-C4' energy: -16.530 flat angles P-C4'-P energy: -13.904 tors. eta vs tors. theta energy: -20.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -138.040120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.040120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.040120 (E_RNA) where: Base-Base interactions energy: -69.979 where: short stacking energy: -69.979 Base-Backbone interact. energy: -0.110 local terms energy: -67.951472 where: bonds (distance) C4'-P energy: -17.509 bonds (distance) P-C4' energy: -16.694 flat angles C4'-P-C4' energy: -16.810 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -13.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -130.665902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.665902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.665902 (E_RNA) where: Base-Base interactions energy: -60.768 where: short stacking energy: -60.711 Base-Backbone interact. energy: -0.397 local terms energy: -69.500461 where: bonds (distance) C4'-P energy: -14.262 bonds (distance) P-C4' energy: -15.295 flat angles C4'-P-C4' energy: -20.678 flat angles P-C4'-P energy: -10.320 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: 9, replica: 3 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -123.114241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.114241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.114241 (E_RNA) where: Base-Base interactions energy: -54.044 where: short stacking energy: -54.044 Base-Backbone interact. energy: -0.209 local terms energy: -68.861509 where: bonds (distance) C4'-P energy: -16.344 bonds (distance) P-C4' energy: -16.931 flat angles C4'-P-C4' energy: -15.819 flat angles P-C4'-P energy: -10.472 tors. eta vs tors. theta energy: -9.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -121.479809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.479809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.479809 (E_RNA) where: Base-Base interactions energy: -58.987 where: short stacking energy: -58.572 Base-Backbone interact. energy: -0.119 local terms energy: -62.373909 where: bonds (distance) C4'-P energy: -14.618 bonds (distance) P-C4' energy: -11.778 flat angles C4'-P-C4' energy: -14.918 flat angles P-C4'-P energy: -9.808 tors. eta vs tors. theta energy: -11.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -216.207891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.207891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.207891 (E_RNA) where: Base-Base interactions energy: -118.294 where: short stacking energy: -118.294 Base-Backbone interact. energy: -0.000 local terms energy: -97.913211 where: bonds (distance) C4'-P energy: -18.202 bonds (distance) P-C4' energy: -18.547 flat angles C4'-P-C4' energy: -23.129 flat angles P-C4'-P energy: -9.755 tors. eta vs tors. theta energy: -28.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -195.113376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.113376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.113376 (E_RNA) where: Base-Base interactions energy: -106.262 where: short stacking energy: -106.262 Base-Backbone interact. energy: -0.078 local terms energy: -88.772895 where: bonds (distance) C4'-P energy: -13.467 bonds (distance) P-C4' energy: -19.224 flat angles C4'-P-C4' energy: -18.935 flat angles P-C4'-P energy: -13.796 tors. eta vs tors. theta energy: -23.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -204.275251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.275251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.275251 (E_RNA) where: Base-Base interactions energy: -108.357 where: short stacking energy: -108.357 Base-Backbone interact. energy: -0.727 local terms energy: -95.190846 where: bonds (distance) C4'-P energy: -18.389 bonds (distance) P-C4' energy: -20.905 flat angles C4'-P-C4' energy: -18.720 flat angles P-C4'-P energy: -12.903 tors. eta vs tors. theta energy: -24.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -186.044175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.044175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.044175 (E_RNA) where: Base-Base interactions energy: -91.359 where: short stacking energy: -91.359 Base-Backbone interact. energy: -0.729 local terms energy: -93.956498 where: bonds (distance) C4'-P energy: -17.830 bonds (distance) P-C4' energy: -18.580 flat angles C4'-P-C4' energy: -19.791 flat angles P-C4'-P energy: -13.607 tors. eta vs tors. theta energy: -24.149 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: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -166.847086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.847086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.847086 (E_RNA) where: Base-Base interactions energy: -89.770 where: short stacking energy: -89.770 Base-Backbone interact. energy: -0.112 local terms energy: -76.965766 where: bonds (distance) C4'-P energy: -14.876 bonds (distance) P-C4' energy: -18.019 flat angles C4'-P-C4' energy: -19.052 flat angles P-C4'-P energy: -10.587 tors. eta vs tors. theta energy: -14.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -147.284917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.284917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.284917 (E_RNA) where: Base-Base interactions energy: -73.577 where: short stacking energy: -73.577 Base-Backbone interact. energy: -0.405 local terms energy: -73.302719 where: bonds (distance) C4'-P energy: -19.056 bonds (distance) P-C4' energy: -16.214 flat angles C4'-P-C4' energy: -16.429 flat angles P-C4'-P energy: -13.862 tors. eta vs tors. theta energy: -7.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -138.417166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.417166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.417166 (E_RNA) where: Base-Base interactions energy: -60.215 where: short stacking energy: -60.215 Base-Backbone interact. energy: 0.079 local terms energy: -78.280782 where: bonds (distance) C4'-P energy: -15.429 bonds (distance) P-C4' energy: -21.504 flat angles C4'-P-C4' energy: -20.445 flat angles P-C4'-P energy: -12.807 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: 8, replica: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -126.778903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.778903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.778903 (E_RNA) where: Base-Base interactions energy: -61.547 where: short stacking energy: -58.887 Base-Backbone interact. energy: -0.095 local terms energy: -65.136917 where: bonds (distance) C4'-P energy: -12.339 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -16.376 flat angles P-C4'-P energy: -14.303 tors. eta vs tors. theta energy: -8.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -137.538042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.538042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.538042 (E_RNA) where: Base-Base interactions energy: -60.536 where: short stacking energy: -60.536 Base-Backbone interact. energy: -0.764 local terms energy: -76.238560 where: bonds (distance) C4'-P energy: -17.746 bonds (distance) P-C4' energy: -15.120 flat angles C4'-P-C4' energy: -14.541 flat angles P-C4'-P energy: -16.821 tors. eta vs tors. theta energy: -12.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -115.921905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.921905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.921905 (E_RNA) where: Base-Base interactions energy: -53.758 where: short stacking energy: -53.329 Base-Backbone interact. energy: -0.162 local terms energy: -62.002046 where: bonds (distance) C4'-P energy: -19.767 bonds (distance) P-C4' energy: -16.543 flat angles C4'-P-C4' energy: -17.073 flat angles P-C4'-P energy: -7.242 tors. eta vs tors. theta energy: -1.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -212.923482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.923482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.923482 (E_RNA) where: Base-Base interactions energy: -116.911 where: short stacking energy: -116.911 Base-Backbone interact. energy: -0.222 local terms energy: -95.790682 where: bonds (distance) C4'-P energy: -17.450 bonds (distance) P-C4' energy: -19.482 flat angles C4'-P-C4' energy: -21.600 flat angles P-C4'-P energy: -8.552 tors. eta vs tors. theta energy: -28.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -215.049219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.049219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.049219 (E_RNA) where: Base-Base interactions energy: -114.033 where: short stacking energy: -114.033 Base-Backbone interact. energy: -0.002 local terms energy: -101.015063 where: bonds (distance) C4'-P energy: -18.012 bonds (distance) P-C4' energy: -17.086 flat angles C4'-P-C4' energy: -22.422 flat angles P-C4'-P energy: -17.653 tors. eta vs tors. theta energy: -25.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -186.720033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.720033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.720033 (E_RNA) where: Base-Base interactions energy: -99.487 where: short stacking energy: -99.487 Base-Backbone interact. energy: 0.402 local terms energy: -87.635790 where: bonds (distance) C4'-P energy: -15.314 bonds (distance) P-C4' energy: -20.569 flat angles C4'-P-C4' energy: -18.812 flat angles P-C4'-P energy: -13.448 tors. eta vs tors. theta energy: -19.492 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: 4 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -197.426909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.426909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.426909 (E_RNA) where: Base-Base interactions energy: -106.060 where: short stacking energy: -106.060 Base-Backbone interact. energy: -1.142 local terms energy: -90.225373 where: bonds (distance) C4'-P energy: -16.705 bonds (distance) P-C4' energy: -17.878 flat angles C4'-P-C4' energy: -17.807 flat angles P-C4'-P energy: -13.917 tors. eta vs tors. theta energy: -23.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -165.291501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.291501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.291501 (E_RNA) where: Base-Base interactions energy: -87.677 where: short stacking energy: -87.677 Base-Backbone interact. energy: -0.131 local terms energy: -77.482959 where: bonds (distance) C4'-P energy: -11.157 bonds (distance) P-C4' energy: -20.081 flat angles C4'-P-C4' energy: -19.352 flat angles P-C4'-P energy: -8.055 tors. eta vs tors. theta energy: -18.838 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: 10 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -156.052955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.052955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.052955 (E_RNA) where: Base-Base interactions energy: -75.661 where: short stacking energy: -75.661 Base-Backbone interact. energy: -0.013 local terms energy: -80.378385 where: bonds (distance) C4'-P energy: -16.001 bonds (distance) P-C4' energy: -18.632 flat angles C4'-P-C4' energy: -15.880 flat angles P-C4'-P energy: -10.841 tors. eta vs tors. theta energy: -19.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -145.867401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.867401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.867401 (E_RNA) where: Base-Base interactions energy: -71.868 where: short stacking energy: -71.868 Base-Backbone interact. energy: -0.079 local terms energy: -73.920474 where: bonds (distance) C4'-P energy: -18.313 bonds (distance) P-C4' energy: -18.017 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -12.985 tors. eta vs tors. theta energy: -11.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -134.758524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.758524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.758524 (E_RNA) where: Base-Base interactions energy: -67.742 where: short stacking energy: -67.742 Base-Backbone interact. energy: -0.370 local terms energy: -66.647223 where: bonds (distance) C4'-P energy: -14.354 bonds (distance) P-C4' energy: -12.871 flat angles C4'-P-C4' energy: -18.480 flat angles P-C4'-P energy: -12.128 tors. eta vs tors. theta energy: -8.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -134.030277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.030277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.030277 (E_RNA) where: Base-Base interactions energy: -64.463 where: short stacking energy: -64.463 Base-Backbone interact. energy: -0.736 local terms energy: -68.830436 where: bonds (distance) C4'-P energy: -13.615 bonds (distance) P-C4' energy: -19.972 flat angles C4'-P-C4' energy: -13.998 flat angles P-C4'-P energy: -10.784 tors. eta vs tors. theta energy: -10.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -104.406552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.406552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.406552 (E_RNA) where: Base-Base interactions energy: -40.421 where: short stacking energy: -40.421 Base-Backbone interact. energy: -0.221 local terms energy: -63.764648 where: bonds (distance) C4'-P energy: -15.126 bonds (distance) P-C4' energy: -19.859 flat angles C4'-P-C4' energy: -19.525 flat angles P-C4'-P energy: -7.191 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: 1, replica: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -221.199844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.199844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.199844 (E_RNA) where: Base-Base interactions energy: -115.145 where: short stacking energy: -115.145 Base-Backbone interact. energy: -0.001 local terms energy: -106.054371 where: bonds (distance) C4'-P energy: -21.420 bonds (distance) P-C4' energy: -17.423 flat angles C4'-P-C4' energy: -23.363 flat angles P-C4'-P energy: -14.918 tors. eta vs tors. theta energy: -28.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -197.814523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.814523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.814523 (E_RNA) where: Base-Base interactions energy: -108.856 where: short stacking energy: -108.856 Base-Backbone interact. energy: -0.052 local terms energy: -88.906319 where: bonds (distance) C4'-P energy: -17.611 bonds (distance) P-C4' energy: -15.692 flat angles C4'-P-C4' energy: -20.210 flat angles P-C4'-P energy: -14.261 tors. eta vs tors. theta energy: -21.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -207.313291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.313291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.313291 (E_RNA) where: Base-Base interactions energy: -112.319 where: short stacking energy: -112.319 Base-Backbone interact. energy: -0.001 local terms energy: -94.992440 where: bonds (distance) C4'-P energy: -12.681 bonds (distance) P-C4' energy: -21.278 flat angles C4'-P-C4' energy: -20.372 flat angles P-C4'-P energy: -12.854 tors. eta vs tors. theta energy: -27.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -179.397383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.397383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.397383 (E_RNA) where: Base-Base interactions energy: -94.214 where: short stacking energy: -94.214 Base-Backbone interact. energy: -0.002 local terms energy: -85.181321 where: bonds (distance) C4'-P energy: -14.735 bonds (distance) P-C4' energy: -19.519 flat angles C4'-P-C4' energy: -17.856 flat angles P-C4'-P energy: -9.679 tors. eta vs tors. theta energy: -23.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -149.803486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.803486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.803486 (E_RNA) where: Base-Base interactions energy: -78.755 where: short stacking energy: -78.755 Base-Backbone interact. energy: -0.491 local terms energy: -70.557300 where: bonds (distance) C4'-P energy: -17.971 bonds (distance) P-C4' energy: -9.939 flat angles C4'-P-C4' energy: -18.222 flat angles P-C4'-P energy: -13.305 tors. eta vs tors. theta energy: -11.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -154.616583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.616583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.616583 (E_RNA) where: Base-Base interactions energy: -75.750 where: short stacking energy: -75.750 Base-Backbone interact. energy: -0.092 local terms energy: -78.774324 where: bonds (distance) C4'-P energy: -18.346 bonds (distance) P-C4' energy: -16.391 flat angles C4'-P-C4' energy: -19.764 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -14.579 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: 8 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -141.546356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.546356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.546356 (E_RNA) where: Base-Base interactions energy: -67.486 where: short stacking energy: -67.486 Base-Backbone interact. energy: -0.188 local terms energy: -73.871800 where: bonds (distance) C4'-P energy: -19.979 bonds (distance) P-C4' energy: -17.854 flat angles C4'-P-C4' energy: -18.652 flat angles P-C4'-P energy: -8.589 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: 8, replica: 7 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -139.631898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.631898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.631898 (E_RNA) where: Base-Base interactions energy: -71.077 where: short stacking energy: -71.077 Base-Backbone interact. energy: -0.171 local terms energy: -68.384273 where: bonds (distance) C4'-P energy: -13.128 bonds (distance) P-C4' energy: -19.305 flat angles C4'-P-C4' energy: -16.408 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: -13.605 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: 2 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -143.783927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.783927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.783927 (E_RNA) where: Base-Base interactions energy: -73.025 where: short stacking energy: -73.225 Base-Backbone interact. energy: -0.078 local terms energy: -70.681790 where: bonds (distance) C4'-P energy: -19.035 bonds (distance) P-C4' energy: -21.116 flat angles C4'-P-C4' energy: -6.353 flat angles P-C4'-P energy: -12.219 tors. eta vs tors. theta energy: -11.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -110.209408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.209408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.209408 (E_RNA) where: Base-Base interactions energy: -57.131 where: short stacking energy: -55.747 Base-Backbone interact. energy: -0.199 local terms energy: -52.879334 where: bonds (distance) C4'-P energy: -15.281 bonds (distance) P-C4' energy: -15.532 flat angles C4'-P-C4' energy: -14.211 flat angles P-C4'-P energy: -8.868 tors. eta vs tors. theta energy: 1.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -200.524395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.524395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.524395 (E_RNA) where: Base-Base interactions energy: -110.045 where: short stacking energy: -110.045 Base-Backbone interact. energy: -0.008 local terms energy: -90.470574 where: bonds (distance) C4'-P energy: -19.793 bonds (distance) P-C4' energy: -14.472 flat angles C4'-P-C4' energy: -17.883 flat angles P-C4'-P energy: -16.479 tors. eta vs tors. theta energy: -21.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -207.045714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.045714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.045714 (E_RNA) where: Base-Base interactions energy: -111.221 where: short stacking energy: -111.221 Base-Backbone interact. energy: -0.004 local terms energy: -95.820099 where: bonds (distance) C4'-P energy: -18.190 bonds (distance) P-C4' energy: -16.700 flat angles C4'-P-C4' energy: -21.749 flat angles P-C4'-P energy: -16.052 tors. eta vs tors. theta energy: -23.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -207.204799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.204799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.204799 (E_RNA) where: Base-Base interactions energy: -118.068 where: short stacking energy: -118.068 Base-Backbone interact. energy: -2.298 local terms energy: -86.838745 where: bonds (distance) C4'-P energy: -16.043 bonds (distance) P-C4' energy: -18.262 flat angles C4'-P-C4' energy: -16.127 flat angles P-C4'-P energy: -7.814 tors. eta vs tors. theta energy: -28.592 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: 400 Temperature: 1.050000 Total energy: -160.644056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.644056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.644056 (E_RNA) where: Base-Base interactions energy: -85.621 where: short stacking energy: -85.621 Base-Backbone interact. energy: -0.034 local terms energy: -74.988851 where: bonds (distance) C4'-P energy: -10.187 bonds (distance) P-C4' energy: -21.093 flat angles C4'-P-C4' energy: -19.866 flat angles P-C4'-P energy: -9.109 tors. eta vs tors. theta energy: -14.734 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: 10 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -194.202194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.202194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.202194 (E_RNA) where: Base-Base interactions energy: -106.763 where: short stacking energy: -106.757 Base-Backbone interact. energy: -0.051 local terms energy: -87.388470 where: bonds (distance) C4'-P energy: -14.216 bonds (distance) P-C4' energy: -19.799 flat angles C4'-P-C4' energy: -21.158 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -22.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -130.692008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.692008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.692008 (E_RNA) where: Base-Base interactions energy: -60.557 where: short stacking energy: -57.516 Base-Backbone interact. energy: -0.489 local terms energy: -69.646266 where: bonds (distance) C4'-P energy: -15.655 bonds (distance) P-C4' energy: -18.572 flat angles C4'-P-C4' energy: -18.849 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -6.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -167.836847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.836847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.836847 (E_RNA) where: Base-Base interactions energy: -93.751 where: short stacking energy: -94.051 Base-Backbone interact. energy: 1.493 local terms energy: -75.578998 where: bonds (distance) C4'-P energy: -14.622 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -16.063 flat angles P-C4'-P energy: -12.475 tors. eta vs tors. theta energy: -18.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -136.930984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.930984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.930984 (E_RNA) where: Base-Base interactions energy: -70.750 where: short stacking energy: -70.750 Base-Backbone interact. energy: 0.024 local terms energy: -66.205234 where: bonds (distance) C4'-P energy: -15.153 bonds (distance) P-C4' energy: -12.974 flat angles C4'-P-C4' energy: -16.828 flat angles P-C4'-P energy: -10.269 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: 9, replica: 3 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -120.602944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.602944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.602944 (E_RNA) where: Base-Base interactions energy: -57.392 where: short stacking energy: -56.624 Base-Backbone interact. energy: -0.592 local terms energy: -62.618458 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -17.290 flat angles C4'-P-C4' energy: -21.152 flat angles P-C4'-P energy: -8.799 tors. eta vs tors. theta energy: -6.464 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: 2 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -126.752534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.752534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.752534 (E_RNA) where: Base-Base interactions energy: -60.656 where: short stacking energy: -60.656 Base-Backbone interact. energy: -0.113 local terms energy: -65.983519 where: bonds (distance) C4'-P energy: -16.009 bonds (distance) P-C4' energy: -17.168 flat angles C4'-P-C4' energy: -15.025 flat angles P-C4'-P energy: -7.576 tors. eta vs tors. theta energy: -10.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -204.829811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.829811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.829811 (E_RNA) where: Base-Base interactions energy: -111.224 where: short stacking energy: -111.224 Base-Backbone interact. energy: -0.002 local terms energy: -93.603911 where: bonds (distance) C4'-P energy: -17.910 bonds (distance) P-C4' energy: -19.814 flat angles C4'-P-C4' energy: -19.984 flat angles P-C4'-P energy: -15.316 tors. eta vs tors. theta energy: -20.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -201.997219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.997219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.997219 (E_RNA) where: Base-Base interactions energy: -116.072 where: short stacking energy: -116.072 Base-Backbone interact. energy: -0.001 local terms energy: -85.924680 where: bonds (distance) C4'-P energy: -15.616 bonds (distance) P-C4' energy: -18.966 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -10.200 tors. eta vs tors. theta energy: -27.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -178.155039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.155039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.155039 (E_RNA) where: Base-Base interactions energy: -91.004 where: short stacking energy: -91.004 Base-Backbone interact. energy: -0.003 local terms energy: -87.148570 where: bonds (distance) C4'-P energy: -14.387 bonds (distance) P-C4' energy: -19.059 flat angles C4'-P-C4' energy: -19.699 flat angles P-C4'-P energy: -14.503 tors. eta vs tors. theta energy: -19.501 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: 4, replica: 10 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -187.274309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.274309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.274309 (E_RNA) where: Base-Base interactions energy: -94.379 where: short stacking energy: -94.379 Base-Backbone interact. energy: -0.002 local terms energy: -92.893668 where: bonds (distance) C4'-P energy: -19.769 bonds (distance) P-C4' energy: -16.676 flat angles C4'-P-C4' energy: -20.965 flat angles P-C4'-P energy: -11.504 tors. eta vs tors. theta energy: -23.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -171.315840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.315840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.315840 (E_RNA) where: Base-Base interactions energy: -99.235 where: short stacking energy: -99.235 Base-Backbone interact. energy: -0.070 local terms energy: -72.011046 where: bonds (distance) C4'-P energy: -9.194 bonds (distance) P-C4' energy: -15.573 flat angles C4'-P-C4' energy: -16.045 flat angles P-C4'-P energy: -12.332 tors. eta vs tors. theta energy: -18.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -156.770612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.770612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.770612 (E_RNA) where: Base-Base interactions energy: -80.093 where: short stacking energy: -80.166 Base-Backbone interact. energy: 1.192 local terms energy: -77.868987 where: bonds (distance) C4'-P energy: -14.415 bonds (distance) P-C4' energy: -18.756 flat angles C4'-P-C4' energy: -20.527 flat angles P-C4'-P energy: -11.655 tors. eta vs tors. theta energy: -12.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -132.099545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.099545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.099545 (E_RNA) where: Base-Base interactions energy: -63.640 where: short stacking energy: -63.640 Base-Backbone interact. energy: -0.054 local terms energy: -68.406344 where: bonds (distance) C4'-P energy: -16.729 bonds (distance) P-C4' energy: -20.539 flat angles C4'-P-C4' energy: -13.857 flat angles P-C4'-P energy: -7.506 tors. eta vs tors. theta energy: -9.775 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: 8, replica: 8 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -125.939004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.939004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.939004 (E_RNA) where: Base-Base interactions energy: -60.352 where: short stacking energy: -60.352 Base-Backbone interact. energy: -0.080 local terms energy: -65.507710 where: bonds (distance) C4'-P energy: -16.420 bonds (distance) P-C4' energy: -17.804 flat angles C4'-P-C4' energy: -11.723 flat angles P-C4'-P energy: -9.671 tors. eta vs tors. theta energy: -9.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -129.474089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.474089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.474089 (E_RNA) where: Base-Base interactions energy: -64.209 where: short stacking energy: -62.810 Base-Backbone interact. energy: -0.084 local terms energy: -65.181356 where: bonds (distance) C4'-P energy: -11.318 bonds (distance) P-C4' energy: -19.886 flat angles C4'-P-C4' energy: -17.209 flat angles P-C4'-P energy: -7.515 tors. eta vs tors. theta energy: -9.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -112.638769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.638769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.638769 (E_RNA) where: Base-Base interactions energy: -47.476 where: short stacking energy: -46.222 Base-Backbone interact. energy: 1.007 local terms energy: -66.169829 where: bonds (distance) C4'-P energy: -18.525 bonds (distance) P-C4' energy: -20.401 flat angles C4'-P-C4' energy: -13.468 flat angles P-C4'-P energy: -8.525 tors. eta vs tors. theta energy: -5.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -206.127642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.127642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.127642 (E_RNA) where: Base-Base interactions energy: -114.914 where: short stacking energy: -114.914 Base-Backbone interact. energy: -0.085 local terms energy: -91.128935 where: bonds (distance) C4'-P energy: -18.543 bonds (distance) P-C4' energy: -19.232 flat angles C4'-P-C4' energy: -15.660 flat angles P-C4'-P energy: -15.340 tors. eta vs tors. theta energy: -22.354 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: 2, replica: 4 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -205.905651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.905651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.905651 (E_RNA) where: Base-Base interactions energy: -107.404 where: short stacking energy: -107.404 Base-Backbone interact. energy: -0.000 local terms energy: -98.501686 where: bonds (distance) C4'-P energy: -21.954 bonds (distance) P-C4' energy: -18.939 flat angles C4'-P-C4' energy: -21.045 flat angles P-C4'-P energy: -11.951 tors. eta vs tors. theta energy: -24.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -186.110638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.110638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.110638 (E_RNA) where: Base-Base interactions energy: -103.321 where: short stacking energy: -102.059 Base-Backbone interact. energy: -0.430 local terms energy: -82.359493 where: bonds (distance) C4'-P energy: -9.180 bonds (distance) P-C4' energy: -16.029 flat angles C4'-P-C4' energy: -16.923 flat angles P-C4'-P energy: -14.388 tors. eta vs tors. theta energy: -25.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -187.854467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.854467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.854467 (E_RNA) where: Base-Base interactions energy: -101.587 where: short stacking energy: -101.587 Base-Backbone interact. energy: 0.485 local terms energy: -86.752000 where: bonds (distance) C4'-P energy: -18.621 bonds (distance) P-C4' energy: -14.702 flat angles C4'-P-C4' energy: -18.896 flat angles P-C4'-P energy: -9.769 tors. eta vs tors. theta energy: -24.764 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: 402 Temperature: 1.100000 Total energy: -168.487740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.487740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.487740 (E_RNA) where: Base-Base interactions energy: -86.753 where: short stacking energy: -86.753 Base-Backbone interact. energy: -0.011 local terms energy: -81.723249 where: bonds (distance) C4'-P energy: -13.271 bonds (distance) P-C4' energy: -18.878 flat angles C4'-P-C4' energy: -17.984 flat angles P-C4'-P energy: -10.721 tors. eta vs tors. theta energy: -20.869 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: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -149.564802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.564802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.564802 (E_RNA) where: Base-Base interactions energy: -72.762 where: short stacking energy: -72.762 Base-Backbone interact. energy: -0.200 local terms energy: -76.601922 where: bonds (distance) C4'-P energy: -20.248 bonds (distance) P-C4' energy: -17.890 flat angles C4'-P-C4' energy: -15.228 flat angles P-C4'-P energy: -12.183 tors. eta vs tors. theta energy: -11.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -136.326838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.326838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.326838 (E_RNA) where: Base-Base interactions energy: -61.684 where: short stacking energy: -61.684 Base-Backbone interact. energy: -0.336 local terms energy: -74.307198 where: bonds (distance) C4'-P energy: -14.769 bonds (distance) P-C4' energy: -18.862 flat angles C4'-P-C4' energy: -17.650 flat angles P-C4'-P energy: -9.930 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: 8, replica: 5 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -121.404179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.404179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.404179 (E_RNA) where: Base-Base interactions energy: -59.236 where: short stacking energy: -59.236 Base-Backbone interact. energy: -0.703 local terms energy: -61.465491 where: bonds (distance) C4'-P energy: -12.125 bonds (distance) P-C4' energy: -19.211 flat angles C4'-P-C4' energy: -16.437 flat angles P-C4'-P energy: -11.195 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -124.348403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.348403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.348403 (E_RNA) where: Base-Base interactions energy: -54.122 where: short stacking energy: -54.122 Base-Backbone interact. energy: 0.657 local terms energy: -70.883386 where: bonds (distance) C4'-P energy: -16.622 bonds (distance) P-C4' energy: -16.101 flat angles C4'-P-C4' energy: -19.818 flat angles P-C4'-P energy: -11.833 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: 10, replica: 3 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -116.837377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.837377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.837377 (E_RNA) where: Base-Base interactions energy: -61.131 where: short stacking energy: -60.985 Base-Backbone interact. energy: 1.094 local terms energy: -56.800144 where: bonds (distance) C4'-P energy: -10.099 bonds (distance) P-C4' energy: -14.782 flat angles C4'-P-C4' energy: -13.010 flat angles P-C4'-P energy: -10.507 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: 1, replica: 1 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -214.618509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.618509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.618509 (E_RNA) where: Base-Base interactions energy: -120.259 where: short stacking energy: -120.259 Base-Backbone interact. energy: -0.004 local terms energy: -94.354682 where: bonds (distance) C4'-P energy: -13.316 bonds (distance) P-C4' energy: -18.645 flat angles C4'-P-C4' energy: -22.062 flat angles P-C4'-P energy: -15.314 tors. eta vs tors. theta energy: -25.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -197.115509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.115509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.115509 (E_RNA) where: Base-Base interactions energy: -106.633 where: short stacking energy: -106.633 Base-Backbone interact. energy: -0.110 local terms energy: -90.372597 where: bonds (distance) C4'-P energy: -16.439 bonds (distance) P-C4' energy: -19.082 flat angles C4'-P-C4' energy: -18.083 flat angles P-C4'-P energy: -14.676 tors. eta vs tors. theta energy: -22.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -185.292447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.292447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.292447 (E_RNA) where: Base-Base interactions energy: -100.310 where: short stacking energy: -100.427 Base-Backbone interact. energy: -0.002 local terms energy: -84.979995 where: bonds (distance) C4'-P energy: -19.292 bonds (distance) P-C4' energy: -19.450 flat angles C4'-P-C4' energy: -18.816 flat angles P-C4'-P energy: -10.986 tors. eta vs tors. theta energy: -16.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -184.644060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.644060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.644060 (E_RNA) where: Base-Base interactions energy: -97.391 where: short stacking energy: -97.391 Base-Backbone interact. energy: -0.303 local terms energy: -86.950526 where: bonds (distance) C4'-P energy: -14.528 bonds (distance) P-C4' energy: -18.224 flat angles C4'-P-C4' energy: -18.389 flat angles P-C4'-P energy: -15.020 tors. eta vs tors. theta energy: -20.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -161.482039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.482039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.482039 (E_RNA) where: Base-Base interactions energy: -78.670 where: short stacking energy: -78.670 Base-Backbone interact. energy: -0.099 local terms energy: -82.712551 where: bonds (distance) C4'-P energy: -14.564 bonds (distance) P-C4' energy: -21.025 flat angles C4'-P-C4' energy: -18.703 flat angles P-C4'-P energy: -9.477 tors. eta vs tors. theta energy: -18.945 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: 9 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -160.020171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.020171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.020171 (E_RNA) where: Base-Base interactions energy: -79.664 where: short stacking energy: -76.886 Base-Backbone interact. energy: -0.044 local terms energy: -80.312417 where: bonds (distance) C4'-P energy: -18.637 bonds (distance) P-C4' energy: -17.379 flat angles C4'-P-C4' energy: -15.279 flat angles P-C4'-P energy: -15.166 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: 7, replica: 8 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -130.173783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.173783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.173783 (E_RNA) where: Base-Base interactions energy: -64.956 where: short stacking energy: -62.897 Base-Backbone interact. energy: 1.000 local terms energy: -66.218085 where: bonds (distance) C4'-P energy: -14.892 bonds (distance) P-C4' energy: -20.580 flat angles C4'-P-C4' energy: -12.724 flat angles P-C4'-P energy: -11.010 tors. eta vs tors. theta energy: -7.011 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: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -134.829978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.829978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.829978 (E_RNA) where: Base-Base interactions energy: -68.555 where: short stacking energy: -67.713 Base-Backbone interact. energy: 0.446 local terms energy: -66.720643 where: bonds (distance) C4'-P energy: -12.426 bonds (distance) P-C4' energy: -17.105 flat angles C4'-P-C4' energy: -14.249 flat angles P-C4'-P energy: -8.026 tors. eta vs tors. theta energy: -14.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -122.170730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.170730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.170730 (E_RNA) where: Base-Base interactions energy: -57.966 where: short stacking energy: -57.966 Base-Backbone interact. energy: -0.124 local terms energy: -64.081360 where: bonds (distance) C4'-P energy: -12.853 bonds (distance) P-C4' energy: -16.865 flat angles C4'-P-C4' energy: -18.250 flat angles P-C4'-P energy: -7.547 tors. eta vs tors. theta energy: -8.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -106.585719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.585719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.585719 (E_RNA) where: Base-Base interactions energy: -48.606 where: short stacking energy: -48.351 Base-Backbone interact. energy: -0.447 local terms energy: -57.532731 where: bonds (distance) C4'-P energy: -16.208 bonds (distance) P-C4' energy: -10.156 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -9.313 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: 1, replica: 1 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -220.542804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.542804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.542804 (E_RNA) where: Base-Base interactions energy: -115.592 where: short stacking energy: -115.592 Base-Backbone interact. energy: -0.194 local terms energy: -104.757065 where: bonds (distance) C4'-P energy: -21.346 bonds (distance) P-C4' energy: -19.681 flat angles C4'-P-C4' energy: -20.033 flat angles P-C4'-P energy: -14.320 tors. eta vs tors. theta energy: -29.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -174.435751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.435751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.435751 (E_RNA) where: Base-Base interactions energy: -95.296 where: short stacking energy: -95.296 Base-Backbone interact. energy: 0.661 local terms energy: -79.800174 where: bonds (distance) C4'-P energy: -16.380 bonds (distance) P-C4' energy: -18.099 flat angles C4'-P-C4' energy: -12.790 flat angles P-C4'-P energy: -16.503 tors. eta vs tors. theta energy: -16.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -194.192011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.192011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.192011 (E_RNA) where: Base-Base interactions energy: -105.388 where: short stacking energy: -105.388 Base-Backbone interact. energy: -0.002 local terms energy: -88.802550 where: bonds (distance) C4'-P energy: -18.815 bonds (distance) P-C4' energy: -13.091 flat angles C4'-P-C4' energy: -20.091 flat angles P-C4'-P energy: -12.522 tors. eta vs tors. theta energy: -24.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -182.095394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.095394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.095394 (E_RNA) where: Base-Base interactions energy: -92.687 where: short stacking energy: -92.687 Base-Backbone interact. energy: -0.008 local terms energy: -89.400337 where: bonds (distance) C4'-P energy: -18.443 bonds (distance) P-C4' energy: -19.751 flat angles C4'-P-C4' energy: -20.446 flat angles P-C4'-P energy: -10.863 tors. eta vs tors. theta energy: -19.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -164.942170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.942170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.942170 (E_RNA) where: Base-Base interactions energy: -79.320 where: short stacking energy: -79.197 Base-Backbone interact. energy: -0.756 local terms energy: -84.866335 where: bonds (distance) C4'-P energy: -19.395 bonds (distance) P-C4' energy: -17.174 flat angles C4'-P-C4' energy: -15.472 flat angles P-C4'-P energy: -13.592 tors. eta vs tors. theta energy: -19.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -145.176040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.176040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.176040 (E_RNA) where: Base-Base interactions energy: -70.485 where: short stacking energy: -70.885 Base-Backbone interact. energy: -0.241 local terms energy: -74.449647 where: bonds (distance) C4'-P energy: -15.867 bonds (distance) P-C4' energy: -18.210 flat angles C4'-P-C4' energy: -14.895 flat angles P-C4'-P energy: -12.744 tors. eta vs tors. theta energy: -12.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -143.686945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.686945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.686945 (E_RNA) where: Base-Base interactions energy: -72.771 where: short stacking energy: -72.602 Base-Backbone interact. energy: -0.053 local terms energy: -70.862567 where: bonds (distance) C4'-P energy: -10.469 bonds (distance) P-C4' energy: -19.933 flat angles C4'-P-C4' energy: -15.603 flat angles P-C4'-P energy: -9.708 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: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -134.920602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.920602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.920602 (E_RNA) where: Base-Base interactions energy: -65.257 where: short stacking energy: -64.675 Base-Backbone interact. energy: -0.160 local terms energy: -69.504292 where: bonds (distance) C4'-P energy: -17.802 bonds (distance) P-C4' energy: -14.782 flat angles C4'-P-C4' energy: -18.457 flat angles P-C4'-P energy: -12.591 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: 9, replica: 3 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -111.151459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.151459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.151459 (E_RNA) where: Base-Base interactions energy: -58.940 where: short stacking energy: -58.940 Base-Backbone interact. energy: 1.323 local terms energy: -53.534938 where: bonds (distance) C4'-P energy: -6.900 bonds (distance) P-C4' energy: -18.588 flat angles C4'-P-C4' energy: -17.512 flat angles P-C4'-P energy: -6.615 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: 10, replica: 5 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -118.684020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.684020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.684020 (E_RNA) where: Base-Base interactions energy: -61.162 where: short stacking energy: -61.162 Base-Backbone interact. energy: -0.024 local terms energy: -57.497958 where: bonds (distance) C4'-P energy: -9.084 bonds (distance) P-C4' energy: -12.890 flat angles C4'-P-C4' energy: -15.969 flat angles P-C4'-P energy: -9.638 tors. eta vs tors. theta energy: -9.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -221.671772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.671772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.671772 (E_RNA) where: Base-Base interactions energy: -128.649 where: short stacking energy: -128.649 Base-Backbone interact. energy: -0.189 local terms energy: -92.833079 where: bonds (distance) C4'-P energy: -17.425 bonds (distance) P-C4' energy: -19.269 flat angles C4'-P-C4' energy: -18.262 flat angles P-C4'-P energy: -11.769 tors. eta vs tors. theta energy: -26.109 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: 405 Temperature: 0.950000 Total energy: -187.075097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.075097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.075097 (E_RNA) where: Base-Base interactions energy: -95.762 where: short stacking energy: -95.762 Base-Backbone interact. energy: -0.889 local terms energy: -90.423412 where: bonds (distance) C4'-P energy: -19.660 bonds (distance) P-C4' energy: -17.284 flat angles C4'-P-C4' energy: -20.984 flat angles P-C4'-P energy: -13.514 tors. eta vs tors. theta energy: -18.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -201.784238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.784238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.784238 (E_RNA) where: Base-Base interactions energy: -112.404 where: short stacking energy: -112.404 Base-Backbone interact. energy: -0.000 local terms energy: -89.379851 where: bonds (distance) C4'-P energy: -18.034 bonds (distance) P-C4' energy: -18.039 flat angles C4'-P-C4' energy: -16.893 flat angles P-C4'-P energy: -13.062 tors. eta vs tors. theta energy: -23.353 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: 4, replica: 10 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -165.173430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.173430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.173430 (E_RNA) where: Base-Base interactions energy: -84.781 where: short stacking energy: -79.321 Base-Backbone interact. energy: 0.087 local terms energy: -80.479569 where: bonds (distance) C4'-P energy: -19.862 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -14.349 flat angles P-C4'-P energy: -13.112 tors. eta vs tors. theta energy: -16.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -167.887734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.887734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.887734 (E_RNA) where: Base-Base interactions energy: -84.281 where: short stacking energy: -84.281 Base-Backbone interact. energy: -0.136 local terms energy: -83.470962 where: bonds (distance) C4'-P energy: -19.235 bonds (distance) P-C4' energy: -16.319 flat angles C4'-P-C4' energy: -19.426 flat angles P-C4'-P energy: -10.942 tors. eta vs tors. theta energy: -17.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -145.273513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.273513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.273513 (E_RNA) where: Base-Base interactions energy: -73.077 where: short stacking energy: -71.877 Base-Backbone interact. energy: -0.384 local terms energy: -71.812603 where: bonds (distance) C4'-P energy: -14.540 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -20.106 flat angles P-C4'-P energy: -13.109 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: 7, replica: 7 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -129.938087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.938087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.938087 (E_RNA) where: Base-Base interactions energy: -63.141 where: short stacking energy: -63.141 Base-Backbone interact. energy: -0.547 local terms energy: -66.250062 where: bonds (distance) C4'-P energy: -16.910 bonds (distance) P-C4' energy: -15.302 flat angles C4'-P-C4' energy: -15.730 flat angles P-C4'-P energy: -11.575 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: 8, replica: 3 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -130.145662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.145662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.145662 (E_RNA) where: Base-Base interactions energy: -66.302 where: short stacking energy: -66.302 Base-Backbone interact. energy: 3.209 local terms energy: -67.052543 where: bonds (distance) C4'-P energy: -15.664 bonds (distance) P-C4' energy: -14.425 flat angles C4'-P-C4' energy: -13.729 flat angles P-C4'-P energy: -8.542 tors. eta vs tors. theta energy: -14.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -126.833531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.833531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.833531 (E_RNA) where: Base-Base interactions energy: -57.295 where: short stacking energy: -54.420 Base-Backbone interact. energy: 0.371 local terms energy: -69.909717 where: bonds (distance) C4'-P energy: -14.758 bonds (distance) P-C4' energy: -17.940 flat angles C4'-P-C4' energy: -20.122 flat angles P-C4'-P energy: -7.700 tors. eta vs tors. theta energy: -9.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -124.168562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.168562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.168562 (E_RNA) where: Base-Base interactions energy: -61.320 where: short stacking energy: -61.320 Base-Backbone interact. energy: -0.174 local terms energy: -62.674643 where: bonds (distance) C4'-P energy: -13.961 bonds (distance) P-C4' energy: -16.938 flat angles C4'-P-C4' energy: -15.468 flat angles P-C4'-P energy: -10.992 tors. eta vs tors. theta energy: -5.315 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: 6 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -203.412764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.412764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.412764 (E_RNA) where: Base-Base interactions energy: -107.248 where: short stacking energy: -107.248 Base-Backbone interact. energy: 0.358 local terms energy: -96.523152 where: bonds (distance) C4'-P energy: -16.038 bonds (distance) P-C4' energy: -16.193 flat angles C4'-P-C4' energy: -20.657 flat angles P-C4'-P energy: -16.236 tors. eta vs tors. theta energy: -27.399 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: 1 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -210.340843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.340843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.340843 (E_RNA) where: Base-Base interactions energy: -115.113 where: short stacking energy: -115.113 Base-Backbone interact. energy: -0.000 local terms energy: -95.228167 where: bonds (distance) C4'-P energy: -19.843 bonds (distance) P-C4' energy: -20.623 flat angles C4'-P-C4' energy: -19.333 flat angles P-C4'-P energy: -9.398 tors. eta vs tors. theta energy: -26.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -196.893403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.893403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.893403 (E_RNA) where: Base-Base interactions energy: -110.095 where: short stacking energy: -110.095 Base-Backbone interact. energy: -0.277 local terms energy: -86.521716 where: bonds (distance) C4'-P energy: -16.423 bonds (distance) P-C4' energy: -20.536 flat angles C4'-P-C4' energy: -18.242 flat angles P-C4'-P energy: -8.368 tors. eta vs tors. theta energy: -22.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -157.915735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.915735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.915735 (E_RNA) where: Base-Base interactions energy: -75.921 where: short stacking energy: -75.921 Base-Backbone interact. energy: -0.006 local terms energy: -81.988676 where: bonds (distance) C4'-P energy: -16.045 bonds (distance) P-C4' energy: -17.378 flat angles C4'-P-C4' energy: -20.540 flat angles P-C4'-P energy: -10.574 tors. eta vs tors. theta energy: -17.452 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: 9 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -170.539275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.539275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.539275 (E_RNA) where: Base-Base interactions energy: -97.575 where: short stacking energy: -97.575 Base-Backbone interact. energy: -0.198 local terms energy: -72.766124 where: bonds (distance) C4'-P energy: -13.432 bonds (distance) P-C4' energy: -13.580 flat angles C4'-P-C4' energy: -16.466 flat angles P-C4'-P energy: -8.430 tors. eta vs tors. theta energy: -20.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -149.222248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.222248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.222248 (E_RNA) where: Base-Base interactions energy: -81.975 where: short stacking energy: -81.975 Base-Backbone interact. energy: -0.002 local terms energy: -67.245116 where: bonds (distance) C4'-P energy: -12.991 bonds (distance) P-C4' energy: -17.443 flat angles C4'-P-C4' energy: -20.097 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -12.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -127.358401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.358401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.358401 (E_RNA) where: Base-Base interactions energy: -56.214 where: short stacking energy: -54.851 Base-Backbone interact. energy: -0.390 local terms energy: -70.753881 where: bonds (distance) C4'-P energy: -11.077 bonds (distance) P-C4' energy: -20.644 flat angles C4'-P-C4' energy: -18.651 flat angles P-C4'-P energy: -10.462 tors. eta vs tors. theta energy: -9.920 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: 3 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -126.602008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.602008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.602008 (E_RNA) where: Base-Base interactions energy: -56.868 where: short stacking energy: -56.868 Base-Backbone interact. energy: -0.155 local terms energy: -69.579599 where: bonds (distance) C4'-P energy: -18.075 bonds (distance) P-C4' energy: -18.467 flat angles C4'-P-C4' energy: -13.193 flat angles P-C4'-P energy: -13.250 tors. eta vs tors. theta energy: -6.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -126.788026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.788026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.788026 (E_RNA) where: Base-Base interactions energy: -60.522 where: short stacking energy: -60.522 Base-Backbone interact. energy: -0.172 local terms energy: -66.093607 where: bonds (distance) C4'-P energy: -13.607 bonds (distance) P-C4' energy: -20.029 flat angles C4'-P-C4' energy: -15.845 flat angles P-C4'-P energy: -11.903 tors. eta vs tors. theta energy: -4.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -114.446850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.446850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.446850 (E_RNA) where: Base-Base interactions energy: -46.609 where: short stacking energy: -46.609 Base-Backbone interact. energy: -0.173 local terms energy: -67.664738 where: bonds (distance) C4'-P energy: -17.024 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -14.955 flat angles P-C4'-P energy: -12.599 tors. eta vs tors. theta energy: -7.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -216.122108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.122108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.122108 (E_RNA) where: Base-Base interactions energy: -119.722 where: short stacking energy: -119.722 Base-Backbone interact. energy: -0.007 local terms energy: -96.393501 where: bonds (distance) C4'-P energy: -18.187 bonds (distance) P-C4' energy: -19.417 flat angles C4'-P-C4' energy: -22.235 flat angles P-C4'-P energy: -10.493 tors. eta vs tors. theta energy: -26.062 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: 407 Temperature: 0.950000 Total energy: -210.091885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.091885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.091885 (E_RNA) where: Base-Base interactions energy: -112.741 where: short stacking energy: -112.741 Base-Backbone interact. energy: 0.734 local terms energy: -98.084807 where: bonds (distance) C4'-P energy: -17.549 bonds (distance) P-C4' energy: -17.470 flat angles C4'-P-C4' energy: -21.364 flat angles P-C4'-P energy: -12.989 tors. eta vs tors. theta energy: -28.713 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: 4 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -188.987436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.987436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.987436 (E_RNA) where: Base-Base interactions energy: -96.392 where: short stacking energy: -96.392 Base-Backbone interact. energy: -0.001 local terms energy: -92.594378 where: bonds (distance) C4'-P energy: -17.585 bonds (distance) P-C4' energy: -20.341 flat angles C4'-P-C4' energy: -19.474 flat angles P-C4'-P energy: -14.442 tors. eta vs tors. theta energy: -20.752 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: 4, replica: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -172.401107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.401107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.401107 (E_RNA) where: Base-Base interactions energy: -90.153 where: short stacking energy: -90.153 Base-Backbone interact. energy: -0.123 local terms energy: -82.124667 where: bonds (distance) C4'-P energy: -14.006 bonds (distance) P-C4' energy: -16.997 flat angles C4'-P-C4' energy: -18.656 flat angles P-C4'-P energy: -14.226 tors. eta vs tors. theta energy: -18.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -175.262504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.262504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.262504 (E_RNA) where: Base-Base interactions energy: -89.513 where: short stacking energy: -89.345 Base-Backbone interact. energy: -0.025 local terms energy: -85.724228 where: bonds (distance) C4'-P energy: -13.334 bonds (distance) P-C4' energy: -19.818 flat angles C4'-P-C4' energy: -17.922 flat angles P-C4'-P energy: -16.830 tors. eta vs tors. theta energy: -17.820 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: 7 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -155.277430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.277430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.277430 (E_RNA) where: Base-Base interactions energy: -79.073 where: short stacking energy: -79.073 Base-Backbone interact. energy: -0.168 local terms energy: -76.036673 where: bonds (distance) C4'-P energy: -15.494 bonds (distance) P-C4' energy: -17.056 flat angles C4'-P-C4' energy: -17.039 flat angles P-C4'-P energy: -10.200 tors. eta vs tors. theta energy: -16.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -139.755718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.755718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.755718 (E_RNA) where: Base-Base interactions energy: -71.043 where: short stacking energy: -70.849 Base-Backbone interact. energy: 0.030 local terms energy: -68.743167 where: bonds (distance) C4'-P energy: -11.343 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -20.441 flat angles P-C4'-P energy: -10.206 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: 8, replica: 3 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -132.376067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.376067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.376067 (E_RNA) where: Base-Base interactions energy: -66.273 where: short stacking energy: -66.273 Base-Backbone interact. energy: -0.117 local terms energy: -65.986218 where: bonds (distance) C4'-P energy: -11.613 bonds (distance) P-C4' energy: -18.694 flat angles C4'-P-C4' energy: -14.325 flat angles P-C4'-P energy: -8.666 tors. eta vs tors. theta energy: -12.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -121.847065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.847065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.847065 (E_RNA) where: Base-Base interactions energy: -55.245 where: short stacking energy: -55.645 Base-Backbone interact. energy: -2.131 local terms energy: -64.470999 where: bonds (distance) C4'-P energy: -13.562 bonds (distance) P-C4' energy: -17.850 flat angles C4'-P-C4' energy: -5.630 flat angles P-C4'-P energy: -14.927 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: 10, replica: 8 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -106.606253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.606253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.606253 (E_RNA) where: Base-Base interactions energy: -55.687 where: short stacking energy: -55.687 Base-Backbone interact. energy: 1.412 local terms energy: -52.331265 where: bonds (distance) C4'-P energy: -9.835 bonds (distance) P-C4' energy: -10.366 flat angles C4'-P-C4' energy: -10.828 flat angles P-C4'-P energy: -12.724 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: 1, replica: 1 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -215.859207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.859207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.859207 (E_RNA) where: Base-Base interactions energy: -114.974 where: short stacking energy: -114.974 Base-Backbone interact. energy: -0.000 local terms energy: -100.884960 where: bonds (distance) C4'-P energy: -15.830 bonds (distance) P-C4' energy: -20.321 flat angles C4'-P-C4' energy: -20.955 flat angles P-C4'-P energy: -16.028 tors. eta vs tors. theta energy: -27.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -199.207026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.207026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.207026 (E_RNA) where: Base-Base interactions energy: -107.861 where: short stacking energy: -107.861 Base-Backbone interact. energy: -0.001 local terms energy: -91.344748 where: bonds (distance) C4'-P energy: -14.707 bonds (distance) P-C4' energy: -21.397 flat angles C4'-P-C4' energy: -19.842 flat angles P-C4'-P energy: -13.166 tors. eta vs tors. theta energy: -22.232 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: 4 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -197.110248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.110248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.110248 (E_RNA) where: Base-Base interactions energy: -106.438 where: short stacking energy: -106.438 Base-Backbone interact. energy: -0.705 local terms energy: -89.966940 where: bonds (distance) C4'-P energy: -14.494 bonds (distance) P-C4' energy: -17.446 flat angles C4'-P-C4' energy: -19.878 flat angles P-C4'-P energy: -14.105 tors. eta vs tors. theta energy: -24.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -184.958404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.958404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.958404 (E_RNA) where: Base-Base interactions energy: -91.957 where: short stacking energy: -91.957 Base-Backbone interact. energy: -0.000 local terms energy: -93.001009 where: bonds (distance) C4'-P energy: -15.761 bonds (distance) P-C4' energy: -23.149 flat angles C4'-P-C4' energy: -18.151 flat angles P-C4'-P energy: -13.629 tors. eta vs tors. theta energy: -22.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -171.453116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.453116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.453116 (E_RNA) where: Base-Base interactions energy: -94.553 where: short stacking energy: -94.553 Base-Backbone interact. energy: -0.151 local terms energy: -76.748441 where: bonds (distance) C4'-P energy: -15.247 bonds (distance) P-C4' energy: -22.356 flat angles C4'-P-C4' energy: -14.531 flat angles P-C4'-P energy: -6.749 tors. eta vs tors. theta energy: -17.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -152.640476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.640476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.640476 (E_RNA) where: Base-Base interactions energy: -72.914 where: short stacking energy: -72.914 Base-Backbone interact. energy: -0.052 local terms energy: -79.674986 where: bonds (distance) C4'-P energy: -17.470 bonds (distance) P-C4' energy: -17.427 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -15.797 tors. eta vs tors. theta energy: -15.110 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: 3 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -136.350160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.350160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.350160 (E_RNA) where: Base-Base interactions energy: -69.117 where: short stacking energy: -69.117 Base-Backbone interact. energy: -0.127 local terms energy: -67.106004 where: bonds (distance) C4'-P energy: -14.370 bonds (distance) P-C4' energy: -14.792 flat angles C4'-P-C4' energy: -14.188 flat angles P-C4'-P energy: -12.081 tors. eta vs tors. theta energy: -11.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -143.475827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.475827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.475827 (E_RNA) where: Base-Base interactions energy: -74.834 where: short stacking energy: -74.834 Base-Backbone interact. energy: -0.436 local terms energy: -68.205321 where: bonds (distance) C4'-P energy: -18.651 bonds (distance) P-C4' energy: -16.063 flat angles C4'-P-C4' energy: -9.838 flat angles P-C4'-P energy: -10.672 tors. eta vs tors. theta energy: -12.980 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: 8 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -127.623468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.623468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.623468 (E_RNA) where: Base-Base interactions energy: -67.569 where: short stacking energy: -67.569 Base-Backbone interact. energy: -0.217 local terms energy: -59.837577 where: bonds (distance) C4'-P energy: -7.500 bonds (distance) P-C4' energy: -18.023 flat angles C4'-P-C4' energy: -13.297 flat angles P-C4'-P energy: -9.535 tors. eta vs tors. theta energy: -11.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -110.160190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.160190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.160190 (E_RNA) where: Base-Base interactions energy: -41.925 where: short stacking energy: -41.925 Base-Backbone interact. energy: 0.354 local terms energy: -68.588856 where: bonds (distance) C4'-P energy: -19.669 bonds (distance) P-C4' energy: -17.781 flat angles C4'-P-C4' energy: -16.157 flat angles P-C4'-P energy: -7.003 tors. eta vs tors. theta energy: -7.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -208.671282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.671282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.671282 (E_RNA) where: Base-Base interactions energy: -116.707 where: short stacking energy: -116.707 Base-Backbone interact. energy: -0.000 local terms energy: -91.964209 where: bonds (distance) C4'-P energy: -18.034 bonds (distance) P-C4' energy: -19.887 flat angles C4'-P-C4' energy: -18.378 flat angles P-C4'-P energy: -9.414 tors. eta vs tors. theta energy: -26.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -206.771762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.771762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.771762 (E_RNA) where: Base-Base interactions energy: -115.874 where: short stacking energy: -114.599 Base-Backbone interact. energy: -0.071 local terms energy: -90.826288 where: bonds (distance) C4'-P energy: -16.725 bonds (distance) P-C4' energy: -18.078 flat angles C4'-P-C4' energy: -20.075 flat angles P-C4'-P energy: -13.227 tors. eta vs tors. theta energy: -22.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -179.674882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.674882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.674882 (E_RNA) where: Base-Base interactions energy: -93.313 where: short stacking energy: -93.313 Base-Backbone interact. energy: -0.039 local terms energy: -86.322255 where: bonds (distance) C4'-P energy: -16.743 bonds (distance) P-C4' energy: -14.378 flat angles C4'-P-C4' energy: -19.236 flat angles P-C4'-P energy: -14.582 tors. eta vs tors. theta energy: -21.384 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: 10 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -191.476530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.476530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.476530 (E_RNA) where: Base-Base interactions energy: -103.187 where: short stacking energy: -103.187 Base-Backbone interact. energy: -0.226 local terms energy: -88.064277 where: bonds (distance) C4'-P energy: -14.502 bonds (distance) P-C4' energy: -17.201 flat angles C4'-P-C4' energy: -20.763 flat angles P-C4'-P energy: -12.168 tors. eta vs tors. theta energy: -23.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -166.263108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.263108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.263108 (E_RNA) where: Base-Base interactions energy: -78.005 where: short stacking energy: -78.005 Base-Backbone interact. energy: -0.134 local terms energy: -88.123881 where: bonds (distance) C4'-P energy: -16.952 bonds (distance) P-C4' energy: -19.934 flat angles C4'-P-C4' energy: -19.723 flat angles P-C4'-P energy: -14.267 tors. eta vs tors. theta energy: -17.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -159.704638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.704638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.704638 (E_RNA) where: Base-Base interactions energy: -86.478 where: short stacking energy: -86.570 Base-Backbone interact. energy: -0.728 local terms energy: -72.498410 where: bonds (distance) C4'-P energy: -17.193 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -17.267 flat angles P-C4'-P energy: -10.279 tors. eta vs tors. theta energy: -13.844 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: 409 Temperature: 1.200000 Total energy: -140.654906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.654906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.654906 (E_RNA) where: Base-Base interactions energy: -66.644 where: short stacking energy: -66.644 Base-Backbone interact. energy: -0.050 local terms energy: -73.960205 where: bonds (distance) C4'-P energy: -15.123 bonds (distance) P-C4' energy: -18.601 flat angles C4'-P-C4' energy: -17.166 flat angles P-C4'-P energy: -10.554 tors. eta vs tors. theta energy: -12.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -120.061135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.061135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.061135 (E_RNA) where: Base-Base interactions energy: -56.137 where: short stacking energy: -56.137 Base-Backbone interact. energy: -0.617 local terms energy: -63.307241 where: bonds (distance) C4'-P energy: -16.098 bonds (distance) P-C4' energy: -18.893 flat angles C4'-P-C4' energy: -14.388 flat angles P-C4'-P energy: -7.383 tors. eta vs tors. theta energy: -6.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -129.002618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.002618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.002618 (E_RNA) where: Base-Base interactions energy: -55.488 where: short stacking energy: -55.318 Base-Backbone interact. energy: -0.038 local terms energy: -73.476597 where: bonds (distance) C4'-P energy: -15.686 bonds (distance) P-C4' energy: -18.501 flat angles C4'-P-C4' energy: -14.704 flat angles P-C4'-P energy: -12.351 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: 10, replica: 5 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -126.332468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.332468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.332468 (E_RNA) where: Base-Base interactions energy: -60.501 where: short stacking energy: -60.501 Base-Backbone interact. energy: 0.657 local terms energy: -66.488382 where: bonds (distance) C4'-P energy: -13.223 bonds (distance) P-C4' energy: -18.544 flat angles C4'-P-C4' energy: -16.726 flat angles P-C4'-P energy: -9.980 tors. eta vs tors. theta energy: -8.015 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: 1 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -220.260001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.260001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.260001 (E_RNA) where: Base-Base interactions energy: -119.287 where: short stacking energy: -119.287 Base-Backbone interact. energy: -0.002 local terms energy: -100.971245 where: bonds (distance) C4'-P energy: -16.837 bonds (distance) P-C4' energy: -20.390 flat angles C4'-P-C4' energy: -19.044 flat angles P-C4'-P energy: -16.609 tors. eta vs tors. theta energy: -28.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -193.906723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.906723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.906723 (E_RNA) where: Base-Base interactions energy: -109.360 where: short stacking energy: -109.360 Base-Backbone interact. energy: -0.101 local terms energy: -84.445876 where: bonds (distance) C4'-P energy: -10.963 bonds (distance) P-C4' energy: -16.057 flat angles C4'-P-C4' energy: -19.074 flat angles P-C4'-P energy: -13.754 tors. eta vs tors. theta energy: -24.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -199.775856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.775856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.775856 (E_RNA) where: Base-Base interactions energy: -105.827 where: short stacking energy: -105.827 Base-Backbone interact. energy: -0.004 local terms energy: -93.944756 where: bonds (distance) C4'-P energy: -18.910 bonds (distance) P-C4' energy: -19.439 flat angles C4'-P-C4' energy: -20.873 flat angles P-C4'-P energy: -12.430 tors. eta vs tors. theta energy: -22.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -186.403337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.403337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.403337 (E_RNA) where: Base-Base interactions energy: -98.185 where: short stacking energy: -96.629 Base-Backbone interact. energy: -0.102 local terms energy: -88.116114 where: bonds (distance) C4'-P energy: -16.232 bonds (distance) P-C4' energy: -17.211 flat angles C4'-P-C4' energy: -20.475 flat angles P-C4'-P energy: -17.018 tors. eta vs tors. theta energy: -17.180 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: 410 Temperature: 1.100000 Total energy: -161.554635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.554635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.554635 (E_RNA) where: Base-Base interactions energy: -87.113 where: short stacking energy: -87.213 Base-Backbone interact. energy: -0.100 local terms energy: -74.341536 where: bonds (distance) C4'-P energy: -12.866 bonds (distance) P-C4' energy: -17.241 flat angles C4'-P-C4' energy: -18.821 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: -17.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -156.060044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.060044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.060044 (E_RNA) where: Base-Base interactions energy: -82.202 where: short stacking energy: -81.998 Base-Backbone interact. energy: -0.317 local terms energy: -73.541095 where: bonds (distance) C4'-P energy: -14.606 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -20.171 flat angles P-C4'-P energy: -9.293 tors. eta vs tors. theta energy: -15.538 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: 7, replica: 8 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -138.244798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.244798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.244798 (E_RNA) where: Base-Base interactions energy: -69.417 where: short stacking energy: -69.417 Base-Backbone interact. energy: -0.019 local terms energy: -68.809005 where: bonds (distance) C4'-P energy: -15.640 bonds (distance) P-C4' energy: -12.829 flat angles C4'-P-C4' energy: -14.635 flat angles P-C4'-P energy: -12.942 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: 8, replica: 3 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -128.769257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.769257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.769257 (E_RNA) where: Base-Base interactions energy: -65.015 where: short stacking energy: -65.015 Base-Backbone interact. energy: -0.590 local terms energy: -63.163981 where: bonds (distance) C4'-P energy: -17.761 bonds (distance) P-C4' energy: -16.722 flat angles C4'-P-C4' energy: -10.438 flat angles P-C4'-P energy: -9.226 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: 5 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -110.728108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.728108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.728108 (E_RNA) where: Base-Base interactions energy: -52.017 where: short stacking energy: -52.017 Base-Backbone interact. energy: -0.152 local terms energy: -58.558787 where: bonds (distance) C4'-P energy: -14.324 bonds (distance) P-C4' energy: -15.796 flat angles C4'-P-C4' energy: -15.564 flat angles P-C4'-P energy: -6.787 tors. eta vs tors. theta energy: -6.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -113.820284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.820284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.820284 (E_RNA) where: Base-Base interactions energy: -49.538 where: short stacking energy: -49.168 Base-Backbone interact. energy: -0.279 local terms energy: -64.002787 where: bonds (distance) C4'-P energy: -15.743 bonds (distance) P-C4' energy: -16.144 flat angles C4'-P-C4' energy: -15.662 flat angles P-C4'-P energy: -13.163 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -226.972051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.972051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.972051 (E_RNA) where: Base-Base interactions energy: -123.910 where: short stacking energy: -123.910 Base-Backbone interact. energy: -0.000 local terms energy: -103.062123 where: bonds (distance) C4'-P energy: -17.999 bonds (distance) P-C4' energy: -20.759 flat angles C4'-P-C4' energy: -21.108 flat angles P-C4'-P energy: -13.786 tors. eta vs tors. theta energy: -29.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -196.854091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.854091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.854091 (E_RNA) where: Base-Base interactions energy: -106.004 where: short stacking energy: -105.994 Base-Backbone interact. energy: -0.026 local terms energy: -90.824791 where: bonds (distance) C4'-P energy: -18.670 bonds (distance) P-C4' energy: -16.201 flat angles C4'-P-C4' energy: -17.532 flat angles P-C4'-P energy: -16.172 tors. eta vs tors. theta energy: -22.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -189.109815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.109815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.109815 (E_RNA) where: Base-Base interactions energy: -103.373 where: short stacking energy: -103.373 Base-Backbone interact. energy: -0.005 local terms energy: -85.731942 where: bonds (distance) C4'-P energy: -14.468 bonds (distance) P-C4' energy: -16.132 flat angles C4'-P-C4' energy: -18.701 flat angles P-C4'-P energy: -15.634 tors. eta vs tors. theta energy: -20.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -181.950765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.950765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.950765 (E_RNA) where: Base-Base interactions energy: -98.804 where: short stacking energy: -98.804 Base-Backbone interact. energy: -0.253 local terms energy: -82.893600 where: bonds (distance) C4'-P energy: -15.830 bonds (distance) P-C4' energy: -21.415 flat angles C4'-P-C4' energy: -15.703 flat angles P-C4'-P energy: -9.245 tors. eta vs tors. theta energy: -20.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -175.266109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.266109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.266109 (E_RNA) where: Base-Base interactions energy: -92.860 where: short stacking energy: -92.860 Base-Backbone interact. energy: -0.179 local terms energy: -82.227257 where: bonds (distance) C4'-P energy: -12.636 bonds (distance) P-C4' energy: -22.350 flat angles C4'-P-C4' energy: -17.813 flat angles P-C4'-P energy: -12.044 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: 6, replica: 9 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -151.232832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.232832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.232832 (E_RNA) where: Base-Base interactions energy: -72.416 where: short stacking energy: -72.416 Base-Backbone interact. energy: -0.021 local terms energy: -78.796086 where: bonds (distance) C4'-P energy: -20.104 bonds (distance) P-C4' energy: -18.670 flat angles C4'-P-C4' energy: -16.239 flat angles P-C4'-P energy: -11.670 tors. eta vs tors. theta energy: -12.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -142.374217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.374217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.374217 (E_RNA) where: Base-Base interactions energy: -73.389 where: short stacking energy: -73.389 Base-Backbone interact. energy: -0.102 local terms energy: -68.883539 where: bonds (distance) C4'-P energy: -13.546 bonds (distance) P-C4' energy: -15.552 flat angles C4'-P-C4' energy: -15.160 flat angles P-C4'-P energy: -9.555 tors. eta vs tors. theta energy: -15.070 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: 5 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -125.193019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.193019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.193019 (E_RNA) where: Base-Base interactions energy: -70.151 where: short stacking energy: -70.151 Base-Backbone interact. energy: -0.008 local terms energy: -55.033763 where: bonds (distance) C4'-P energy: -7.353 bonds (distance) P-C4' energy: -14.998 flat angles C4'-P-C4' energy: -17.115 flat angles P-C4'-P energy: -5.793 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: 9, replica: 3 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -134.156205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.156205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.156205 (E_RNA) where: Base-Base interactions energy: -63.334 where: short stacking energy: -63.977 Base-Backbone interact. energy: -0.108 local terms energy: -70.714404 where: bonds (distance) C4'-P energy: -15.727 bonds (distance) P-C4' energy: -17.618 flat angles C4'-P-C4' energy: -19.132 flat angles P-C4'-P energy: -6.091 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: 10, replica: 2 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -116.299060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.299060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.299060 (E_RNA) where: Base-Base interactions energy: -53.749 where: short stacking energy: -53.269 Base-Backbone interact. energy: -0.047 local terms energy: -62.503718 where: bonds (distance) C4'-P energy: -18.318 bonds (distance) P-C4' energy: -16.214 flat angles C4'-P-C4' energy: -17.961 flat angles P-C4'-P energy: -8.970 tors. eta vs tors. theta energy: -1.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -221.497253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.497253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.497253 (E_RNA) where: Base-Base interactions energy: -116.511 where: short stacking energy: -116.511 Base-Backbone interact. energy: -0.003 local terms energy: -104.982773 where: bonds (distance) C4'-P energy: -19.325 bonds (distance) P-C4' energy: -19.062 flat angles C4'-P-C4' energy: -21.447 flat angles P-C4'-P energy: -16.822 tors. eta vs tors. theta energy: -28.327 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: 2, replica: 4 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -200.259176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.259176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.259176 (E_RNA) where: Base-Base interactions energy: -115.128 where: short stacking energy: -115.128 Base-Backbone interact. energy: -0.001 local terms energy: -85.130445 where: bonds (distance) C4'-P energy: -12.774 bonds (distance) P-C4' energy: -16.914 flat angles C4'-P-C4' energy: -20.064 flat angles P-C4'-P energy: -11.809 tors. eta vs tors. theta energy: -23.569 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: 10 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -182.786362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.786362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.786362 (E_RNA) where: Base-Base interactions energy: -96.737 where: short stacking energy: -96.737 Base-Backbone interact. energy: -0.206 local terms energy: -85.843068 where: bonds (distance) C4'-P energy: -17.945 bonds (distance) P-C4' energy: -18.374 flat angles C4'-P-C4' energy: -20.705 flat angles P-C4'-P energy: -11.197 tors. eta vs tors. theta energy: -17.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -181.421381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.421381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.421381 (E_RNA) where: Base-Base interactions energy: -97.388 where: short stacking energy: -97.388 Base-Backbone interact. energy: -0.174 local terms energy: -83.859196 where: bonds (distance) C4'-P energy: -18.480 bonds (distance) P-C4' energy: -15.453 flat angles C4'-P-C4' energy: -16.265 flat angles P-C4'-P energy: -14.050 tors. eta vs tors. theta energy: -19.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -161.686679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.686679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.686679 (E_RNA) where: Base-Base interactions energy: -78.461 where: short stacking energy: -78.461 Base-Backbone interact. energy: -0.007 local terms energy: -83.218646 where: bonds (distance) C4'-P energy: -16.725 bonds (distance) P-C4' energy: -17.871 flat angles C4'-P-C4' energy: -18.495 flat angles P-C4'-P energy: -13.323 tors. eta vs tors. theta energy: -16.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -144.538982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.538982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.538982 (E_RNA) where: Base-Base interactions energy: -69.495 where: short stacking energy: -69.495 Base-Backbone interact. energy: -0.140 local terms energy: -74.904293 where: bonds (distance) C4'-P energy: -16.543 bonds (distance) P-C4' energy: -18.344 flat angles C4'-P-C4' energy: -17.828 flat angles P-C4'-P energy: -7.080 tors. eta vs tors. theta energy: -15.109 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: 7, replica: 5 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -134.795395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.795395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.795395 (E_RNA) where: Base-Base interactions energy: -65.452 where: short stacking energy: -65.452 Base-Backbone interact. energy: -0.014 local terms energy: -69.329623 where: bonds (distance) C4'-P energy: -15.450 bonds (distance) P-C4' energy: -16.583 flat angles C4'-P-C4' energy: -14.878 flat angles P-C4'-P energy: -15.018 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: 8, replica: 8 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -127.101587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.101587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.101587 (E_RNA) where: Base-Base interactions energy: -62.936 where: short stacking energy: -62.936 Base-Backbone interact. energy: -0.235 local terms energy: -63.929865 where: bonds (distance) C4'-P energy: -15.371 bonds (distance) P-C4' energy: -16.487 flat angles C4'-P-C4' energy: -14.909 flat angles P-C4'-P energy: -6.668 tors. eta vs tors. theta energy: -10.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -116.013274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.013274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.013274 (E_RNA) where: Base-Base interactions energy: -51.071 where: short stacking energy: -51.071 Base-Backbone interact. energy: -0.112 local terms energy: -64.830186 where: bonds (distance) C4'-P energy: -13.863 bonds (distance) P-C4' energy: -20.649 flat angles C4'-P-C4' energy: -17.368 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -6.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -118.174030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.174030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.174030 (E_RNA) where: Base-Base interactions energy: -55.660 where: short stacking energy: -56.060 Base-Backbone interact. energy: -0.151 local terms energy: -62.362313 where: bonds (distance) C4'-P energy: -14.796 bonds (distance) P-C4' energy: -19.876 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -4.663 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: 1, replica: 1 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -216.680867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.680867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.680867 (E_RNA) where: Base-Base interactions energy: -117.135 where: short stacking energy: -117.135 Base-Backbone interact. energy: -0.000 local terms energy: -99.545585 where: bonds (distance) C4'-P energy: -17.364 bonds (distance) P-C4' energy: -17.899 flat angles C4'-P-C4' energy: -18.576 flat angles P-C4'-P energy: -17.445 tors. eta vs tors. theta energy: -28.261 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: 10 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -201.310736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.310736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.310736 (E_RNA) where: Base-Base interactions energy: -109.699 where: short stacking energy: -109.699 Base-Backbone interact. energy: -0.001 local terms energy: -91.610675 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -17.523 flat angles C4'-P-C4' energy: -18.449 flat angles P-C4'-P energy: -15.272 tors. eta vs tors. theta energy: -25.629 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: 4 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -192.012596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.012596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.012596 (E_RNA) where: Base-Base interactions energy: -102.926 where: short stacking energy: -102.926 Base-Backbone interact. energy: -0.446 local terms energy: -88.640763 where: bonds (distance) C4'-P energy: -11.040 bonds (distance) P-C4' energy: -19.347 flat angles C4'-P-C4' energy: -22.824 flat angles P-C4'-P energy: -9.555 tors. eta vs tors. theta energy: -25.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -167.142188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.142188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.142188 (E_RNA) where: Base-Base interactions energy: -84.766 where: short stacking energy: -84.192 Base-Backbone interact. energy: -0.003 local terms energy: -82.373566 where: bonds (distance) C4'-P energy: -17.413 bonds (distance) P-C4' energy: -18.983 flat angles C4'-P-C4' energy: -20.738 flat angles P-C4'-P energy: -8.390 tors. eta vs tors. theta energy: -16.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -180.148190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.148190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.148190 (E_RNA) where: Base-Base interactions energy: -94.731 where: short stacking energy: -94.731 Base-Backbone interact. energy: -0.099 local terms energy: -85.317885 where: bonds (distance) C4'-P energy: -18.916 bonds (distance) P-C4' energy: -18.875 flat angles C4'-P-C4' energy: -18.137 flat angles P-C4'-P energy: -8.995 tors. eta vs tors. theta energy: -20.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -148.024719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.024719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.024719 (E_RNA) where: Base-Base interactions energy: -74.196 where: short stacking energy: -74.196 Base-Backbone interact. energy: -0.209 local terms energy: -73.620034 where: bonds (distance) C4'-P energy: -15.330 bonds (distance) P-C4' energy: -15.643 flat angles C4'-P-C4' energy: -15.551 flat angles P-C4'-P energy: -13.151 tors. eta vs tors. theta energy: -13.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -129.251342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.251342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.251342 (E_RNA) where: Base-Base interactions energy: -60.962 where: short stacking energy: -59.021 Base-Backbone interact. energy: 0.521 local terms energy: -68.810533 where: bonds (distance) C4'-P energy: -13.926 bonds (distance) P-C4' energy: -18.537 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -15.178 tors. eta vs tors. theta energy: -7.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -132.168177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.168177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.168177 (E_RNA) where: Base-Base interactions energy: -60.083 where: short stacking energy: -60.083 Base-Backbone interact. energy: -0.175 local terms energy: -71.910116 where: bonds (distance) C4'-P energy: -17.856 bonds (distance) P-C4' energy: -16.273 flat angles C4'-P-C4' energy: -15.467 flat angles P-C4'-P energy: -10.425 tors. eta vs tors. theta energy: -11.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -118.650199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.650199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.650199 (E_RNA) where: Base-Base interactions energy: -55.136 where: short stacking energy: -55.336 Base-Backbone interact. energy: 0.007 local terms energy: -63.521328 where: bonds (distance) C4'-P energy: -14.569 bonds (distance) P-C4' energy: -16.833 flat angles C4'-P-C4' energy: -13.094 flat angles P-C4'-P energy: -10.521 tors. eta vs tors. theta energy: -8.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -115.497927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.497927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.497927 (E_RNA) where: Base-Base interactions energy: -51.438 where: short stacking energy: -49.198 Base-Backbone interact. energy: -0.027 local terms energy: -64.032982 where: bonds (distance) C4'-P energy: -21.953 bonds (distance) P-C4' energy: -17.996 flat angles C4'-P-C4' energy: -12.324 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: -6.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -225.515651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.515651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.515651 (E_RNA) where: Base-Base interactions energy: -121.234 where: short stacking energy: -121.234 Base-Backbone interact. energy: -0.000 local terms energy: -104.281920 where: bonds (distance) C4'-P energy: -18.186 bonds (distance) P-C4' energy: -20.717 flat angles C4'-P-C4' energy: -22.362 flat angles P-C4'-P energy: -15.435 tors. eta vs tors. theta energy: -27.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -208.726280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.726280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.726280 (E_RNA) where: Base-Base interactions energy: -114.939 where: short stacking energy: -114.939 Base-Backbone interact. energy: -0.007 local terms energy: -93.780365 where: bonds (distance) C4'-P energy: -17.772 bonds (distance) P-C4' energy: -17.664 flat angles C4'-P-C4' energy: -17.866 flat angles P-C4'-P energy: -12.465 tors. eta vs tors. theta energy: -28.013 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: 414 Temperature: 1.000000 Total energy: -187.968767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.968767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.968767 (E_RNA) where: Base-Base interactions energy: -99.810 where: short stacking energy: -99.810 Base-Backbone interact. energy: -0.261 local terms energy: -87.897918 where: bonds (distance) C4'-P energy: -18.923 bonds (distance) P-C4' energy: -19.533 flat angles C4'-P-C4' energy: -17.654 flat angles P-C4'-P energy: -11.126 tors. eta vs tors. theta energy: -20.663 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: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -183.079856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.079856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.079856 (E_RNA) where: Base-Base interactions energy: -96.953 where: short stacking energy: -96.953 Base-Backbone interact. energy: -0.007 local terms energy: -86.120025 where: bonds (distance) C4'-P energy: -17.714 bonds (distance) P-C4' energy: -20.853 flat angles C4'-P-C4' energy: -19.559 flat angles P-C4'-P energy: -9.214 tors. eta vs tors. theta energy: -18.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -151.442038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.442038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.442038 (E_RNA) where: Base-Base interactions energy: -73.787 where: short stacking energy: -73.787 Base-Backbone interact. energy: -0.009 local terms energy: -77.646368 where: bonds (distance) C4'-P energy: -18.799 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -19.618 flat angles P-C4'-P energy: -10.036 tors. eta vs tors. theta energy: -15.486 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: 6 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -136.542825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.542825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.542825 (E_RNA) where: Base-Base interactions energy: -70.346 where: short stacking energy: -70.346 Base-Backbone interact. energy: -0.197 local terms energy: -65.999824 where: bonds (distance) C4'-P energy: -8.974 bonds (distance) P-C4' energy: -18.319 flat angles C4'-P-C4' energy: -18.644 flat angles P-C4'-P energy: -8.592 tors. eta vs tors. theta energy: -11.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -133.667519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.667519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.667519 (E_RNA) where: Base-Base interactions energy: -62.837 where: short stacking energy: -62.424 Base-Backbone interact. energy: -0.600 local terms energy: -70.231145 where: bonds (distance) C4'-P energy: -17.826 bonds (distance) P-C4' energy: -15.148 flat angles C4'-P-C4' energy: -13.095 flat angles P-C4'-P energy: -11.367 tors. eta vs tors. theta energy: -12.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -133.399091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.399091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.399091 (E_RNA) where: Base-Base interactions energy: -67.477 where: short stacking energy: -66.645 Base-Backbone interact. energy: -0.022 local terms energy: -65.900620 where: bonds (distance) C4'-P energy: -14.409 bonds (distance) P-C4' energy: -16.163 flat angles C4'-P-C4' energy: -15.203 flat angles P-C4'-P energy: -8.524 tors. eta vs tors. theta energy: -11.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -115.477529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.477529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.477529 (E_RNA) where: Base-Base interactions energy: -53.748 where: short stacking energy: -53.525 Base-Backbone interact. energy: -0.514 local terms energy: -61.215285 where: bonds (distance) C4'-P energy: -19.292 bonds (distance) P-C4' energy: -12.243 flat angles C4'-P-C4' energy: -16.038 flat angles P-C4'-P energy: -5.501 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: 10, replica: 8 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -124.070826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.070826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.070826 (E_RNA) where: Base-Base interactions energy: -53.483 where: short stacking energy: -53.483 Base-Backbone interact. energy: -0.020 local terms energy: -70.567100 where: bonds (distance) C4'-P energy: -16.840 bonds (distance) P-C4' energy: -16.677 flat angles C4'-P-C4' energy: -15.880 flat angles P-C4'-P energy: -11.955 tors. eta vs tors. theta energy: -9.216 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: 1 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -209.805513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.805513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.805513 (E_RNA) where: Base-Base interactions energy: -115.100 where: short stacking energy: -115.100 Base-Backbone interact. energy: -0.000 local terms energy: -94.705743 where: bonds (distance) C4'-P energy: -17.323 bonds (distance) P-C4' energy: -16.696 flat angles C4'-P-C4' energy: -22.656 flat angles P-C4'-P energy: -11.415 tors. eta vs tors. theta energy: -26.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -203.912410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.912410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.912410 (E_RNA) where: Base-Base interactions energy: -110.218 where: short stacking energy: -110.218 Base-Backbone interact. energy: -0.000 local terms energy: -93.694695 where: bonds (distance) C4'-P energy: -18.227 bonds (distance) P-C4' energy: -16.363 flat angles C4'-P-C4' energy: -19.583 flat angles P-C4'-P energy: -14.985 tors. eta vs tors. theta energy: -24.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -206.898631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.898631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.898631 (E_RNA) where: Base-Base interactions energy: -117.314 where: short stacking energy: -117.314 Base-Backbone interact. energy: -0.000 local terms energy: -89.584552 where: bonds (distance) C4'-P energy: -17.752 bonds (distance) P-C4' energy: -20.612 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -13.086 tors. eta vs tors. theta energy: -23.744 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: 4, replica: 5 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -186.648261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.648261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.648261 (E_RNA) where: Base-Base interactions energy: -98.066 where: short stacking energy: -98.066 Base-Backbone interact. energy: 1.247 local terms energy: -89.828928 where: bonds (distance) C4'-P energy: -13.803 bonds (distance) P-C4' energy: -17.485 flat angles C4'-P-C4' energy: -20.513 flat angles P-C4'-P energy: -13.087 tors. eta vs tors. theta energy: -24.941 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: 5, replica: 9 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -160.685315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.685315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.685315 (E_RNA) where: Base-Base interactions energy: -86.279 where: short stacking energy: -86.279 Base-Backbone interact. energy: -0.163 local terms energy: -74.243069 where: bonds (distance) C4'-P energy: -13.604 bonds (distance) P-C4' energy: -16.655 flat angles C4'-P-C4' energy: -15.351 flat angles P-C4'-P energy: -10.376 tors. eta vs tors. theta energy: -18.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -153.738460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.738460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.738460 (E_RNA) where: Base-Base interactions energy: -77.568 where: short stacking energy: -77.568 Base-Backbone interact. energy: -0.697 local terms energy: -75.472980 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -20.784 flat angles C4'-P-C4' energy: -17.401 flat angles P-C4'-P energy: -14.586 tors. eta vs tors. theta energy: -16.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -136.420630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.420630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.420630 (E_RNA) where: Base-Base interactions energy: -73.845 where: short stacking energy: -71.042 Base-Backbone interact. energy: -0.008 local terms energy: -62.567662 where: bonds (distance) C4'-P energy: -15.552 bonds (distance) P-C4' energy: -13.252 flat angles C4'-P-C4' energy: -14.094 flat angles P-C4'-P energy: -8.491 tors. eta vs tors. theta energy: -11.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -124.796817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.796817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.796817 (E_RNA) where: Base-Base interactions energy: -60.891 where: short stacking energy: -60.891 Base-Backbone interact. energy: -0.297 local terms energy: -63.608882 where: bonds (distance) C4'-P energy: -9.600 bonds (distance) P-C4' energy: -14.847 flat angles C4'-P-C4' energy: -16.899 flat angles P-C4'-P energy: -9.991 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: 9, replica: 3 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -126.453878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.453878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.453878 (E_RNA) where: Base-Base interactions energy: -60.340 where: short stacking energy: -60.340 Base-Backbone interact. energy: 0.467 local terms energy: -66.581221 where: bonds (distance) C4'-P energy: -16.543 bonds (distance) P-C4' energy: -9.488 flat angles C4'-P-C4' energy: -15.765 flat angles P-C4'-P energy: -15.052 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: 10, replica: 8 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -113.534905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.534905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.534905 (E_RNA) where: Base-Base interactions energy: -51.006 where: short stacking energy: -49.996 Base-Backbone interact. energy: -0.111 local terms energy: -62.418409 where: bonds (distance) C4'-P energy: -12.039 bonds (distance) P-C4' energy: -19.134 flat angles C4'-P-C4' energy: -16.016 flat angles P-C4'-P energy: -10.067 tors. eta vs tors. theta energy: -5.163 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: 4 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -208.646651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.646651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.646651 (E_RNA) where: Base-Base interactions energy: -109.928 where: short stacking energy: -109.928 Base-Backbone interact. energy: -0.010 local terms energy: -98.707986 where: bonds (distance) C4'-P energy: -17.222 bonds (distance) P-C4' energy: -17.283 flat angles C4'-P-C4' energy: -21.276 flat angles P-C4'-P energy: -13.889 tors. eta vs tors. theta energy: -29.038 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: 416 Temperature: 0.950000 Total energy: -206.524109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.524109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.524109 (E_RNA) where: Base-Base interactions energy: -107.568 where: short stacking energy: -107.568 Base-Backbone interact. energy: -0.004 local terms energy: -98.951929 where: bonds (distance) C4'-P energy: -18.405 bonds (distance) P-C4' energy: -16.610 flat angles C4'-P-C4' energy: -22.712 flat angles P-C4'-P energy: -15.042 tors. eta vs tors. theta energy: -26.183 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: 10 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -206.030899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.030899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.030899 (E_RNA) where: Base-Base interactions energy: -104.262 where: short stacking energy: -104.262 Base-Backbone interact. energy: -0.001 local terms energy: -101.767422 where: bonds (distance) C4'-P energy: -17.068 bonds (distance) P-C4' energy: -20.200 flat angles C4'-P-C4' energy: -23.532 flat angles P-C4'-P energy: -14.312 tors. eta vs tors. theta energy: -26.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -173.673140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.673140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.673140 (E_RNA) where: Base-Base interactions energy: -93.338 where: short stacking energy: -93.338 Base-Backbone interact. energy: -0.031 local terms energy: -80.303455 where: bonds (distance) C4'-P energy: -17.168 bonds (distance) P-C4' energy: -22.123 flat angles C4'-P-C4' energy: -15.291 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -20.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -150.522590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.522590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.522590 (E_RNA) where: Base-Base interactions energy: -78.477 where: short stacking energy: -78.477 Base-Backbone interact. energy: -0.162 local terms energy: -71.884080 where: bonds (distance) C4'-P energy: -16.786 bonds (distance) P-C4' energy: -15.436 flat angles C4'-P-C4' energy: -19.797 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -14.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -153.146579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.146579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.146579 (E_RNA) where: Base-Base interactions energy: -77.650 where: short stacking energy: -77.650 Base-Backbone interact. energy: -0.082 local terms energy: -75.414466 where: bonds (distance) C4'-P energy: -15.365 bonds (distance) P-C4' energy: -17.095 flat angles C4'-P-C4' energy: -15.992 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: -16.464 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: 7 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -140.689721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.689721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.689721 (E_RNA) where: Base-Base interactions energy: -62.429 where: short stacking energy: -62.429 Base-Backbone interact. energy: -0.657 local terms energy: -77.603641 where: bonds (distance) C4'-P energy: -15.640 bonds (distance) P-C4' energy: -20.076 flat angles C4'-P-C4' energy: -21.560 flat angles P-C4'-P energy: -9.686 tors. eta vs tors. theta energy: -10.643 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: 6 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -133.094021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.094021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.094021 (E_RNA) where: Base-Base interactions energy: -75.254 where: short stacking energy: -74.890 Base-Backbone interact. energy: -0.176 local terms energy: -57.663647 where: bonds (distance) C4'-P energy: -10.163 bonds (distance) P-C4' energy: -17.086 flat angles C4'-P-C4' energy: -12.450 flat angles P-C4'-P energy: -7.564 tors. eta vs tors. theta energy: -10.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -130.733107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.733107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.733107 (E_RNA) where: Base-Base interactions energy: -66.830 where: short stacking energy: -64.371 Base-Backbone interact. energy: -0.032 local terms energy: -63.870945 where: bonds (distance) C4'-P energy: -14.460 bonds (distance) P-C4' energy: -12.472 flat angles C4'-P-C4' energy: -18.368 flat angles P-C4'-P energy: -9.962 tors. eta vs tors. theta energy: -8.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -107.584591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.584591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.584591 (E_RNA) where: Base-Base interactions energy: -44.593 where: short stacking energy: -44.593 Base-Backbone interact. energy: -0.645 local terms energy: -62.346132 where: bonds (distance) C4'-P energy: -16.787 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -20.253 flat angles P-C4'-P energy: -7.271 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: 1, replica: 4 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -230.965400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.965400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.965400 (E_RNA) where: Base-Base interactions energy: -125.909 where: short stacking energy: -125.909 Base-Backbone interact. energy: -0.000 local terms energy: -105.056531 where: bonds (distance) C4'-P energy: -18.705 bonds (distance) P-C4' energy: -22.033 flat angles C4'-P-C4' energy: -21.442 flat angles P-C4'-P energy: -13.947 tors. eta vs tors. theta energy: -28.930 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: 1 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -206.493143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.493143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.493143 (E_RNA) where: Base-Base interactions energy: -105.558 where: short stacking energy: -105.558 Base-Backbone interact. energy: -0.028 local terms energy: -100.907237 where: bonds (distance) C4'-P energy: -19.346 bonds (distance) P-C4' energy: -19.203 flat angles C4'-P-C4' energy: -20.714 flat angles P-C4'-P energy: -16.255 tors. eta vs tors. theta energy: -25.389 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: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -180.882719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.882719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.882719 (E_RNA) where: Base-Base interactions energy: -95.304 where: short stacking energy: -96.104 Base-Backbone interact. energy: -0.725 local terms energy: -84.853804 where: bonds (distance) C4'-P energy: -18.196 bonds (distance) P-C4' energy: -16.305 flat angles C4'-P-C4' energy: -19.055 flat angles P-C4'-P energy: -10.875 tors. eta vs tors. theta energy: -20.423 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: 2 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -166.475315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.475315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.475315 (E_RNA) where: Base-Base interactions energy: -88.941 where: short stacking energy: -87.087 Base-Backbone interact. energy: -0.027 local terms energy: -77.507095 where: bonds (distance) C4'-P energy: -17.142 bonds (distance) P-C4' energy: -15.123 flat angles C4'-P-C4' energy: -17.603 flat angles P-C4'-P energy: -11.889 tors. eta vs tors. theta energy: -15.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -157.924820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.924820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.924820 (E_RNA) where: Base-Base interactions energy: -76.552 where: short stacking energy: -76.508 Base-Backbone interact. energy: -0.964 local terms energy: -80.408405 where: bonds (distance) C4'-P energy: -17.991 bonds (distance) P-C4' energy: -17.529 flat angles C4'-P-C4' energy: -18.571 flat angles P-C4'-P energy: -13.086 tors. eta vs tors. theta energy: -13.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -147.823667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.823667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.823667 (E_RNA) where: Base-Base interactions energy: -73.850 where: short stacking energy: -70.807 Base-Backbone interact. energy: -0.160 local terms energy: -73.812747 where: bonds (distance) C4'-P energy: -18.534 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -16.778 flat angles P-C4'-P energy: -9.478 tors. eta vs tors. theta energy: -13.062 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: 417 Temperature: 1.200000 Total energy: -124.997798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.997798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.997798 (E_RNA) where: Base-Base interactions energy: -73.360 where: short stacking energy: -72.227 Base-Backbone interact. energy: -0.131 local terms energy: -51.506800 where: bonds (distance) C4'-P energy: -13.243 bonds (distance) P-C4' energy: -15.035 flat angles C4'-P-C4' energy: -12.772 flat angles P-C4'-P energy: -0.394 tors. eta vs tors. theta energy: -10.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -139.926079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.926079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.926079 (E_RNA) where: Base-Base interactions energy: -73.633 where: short stacking energy: -73.633 Base-Backbone interact. energy: -0.868 local terms energy: -65.424741 where: bonds (distance) C4'-P energy: -12.680 bonds (distance) P-C4' energy: -13.404 flat angles C4'-P-C4' energy: -17.373 flat angles P-C4'-P energy: -9.272 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: 9, replica: 3 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -113.874286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.874286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.874286 (E_RNA) where: Base-Base interactions energy: -58.051 where: short stacking energy: -58.051 Base-Backbone interact. energy: -0.032 local terms energy: -55.790850 where: bonds (distance) C4'-P energy: -12.193 bonds (distance) P-C4' energy: -18.452 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -6.353 tors. eta vs tors. theta energy: -10.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -119.088905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.088905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.088905 (E_RNA) where: Base-Base interactions energy: -57.423 where: short stacking energy: -57.423 Base-Backbone interact. energy: -0.514 local terms energy: -61.151836 where: bonds (distance) C4'-P energy: -19.395 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -16.110 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -3.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -206.770463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.770463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.770463 (E_RNA) where: Base-Base interactions energy: -113.407 where: short stacking energy: -113.407 Base-Backbone interact. energy: -0.036 local terms energy: -93.327003 where: bonds (distance) C4'-P energy: -16.842 bonds (distance) P-C4' energy: -19.596 flat angles C4'-P-C4' energy: -18.076 flat angles P-C4'-P energy: -13.215 tors. eta vs tors. theta energy: -25.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -198.540276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.540276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.540276 (E_RNA) where: Base-Base interactions energy: -109.659 where: short stacking energy: -109.659 Base-Backbone interact. energy: -0.088 local terms energy: -88.792456 where: bonds (distance) C4'-P energy: -16.017 bonds (distance) P-C4' energy: -16.792 flat angles C4'-P-C4' energy: -16.213 flat angles P-C4'-P energy: -13.972 tors. eta vs tors. theta energy: -25.798 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: 2 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -187.451621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.451621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.451621 (E_RNA) where: Base-Base interactions energy: -99.792 where: short stacking energy: -99.792 Base-Backbone interact. energy: -0.004 local terms energy: -87.656171 where: bonds (distance) C4'-P energy: -16.055 bonds (distance) P-C4' energy: -20.587 flat angles C4'-P-C4' energy: -16.562 flat angles P-C4'-P energy: -12.168 tors. eta vs tors. theta energy: -22.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -164.552037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.552037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.552037 (E_RNA) where: Base-Base interactions energy: -81.727 where: short stacking energy: -80.956 Base-Backbone interact. energy: -0.002 local terms energy: -82.823368 where: bonds (distance) C4'-P energy: -16.721 bonds (distance) P-C4' energy: -17.294 flat angles C4'-P-C4' energy: -20.911 flat angles P-C4'-P energy: -12.241 tors. eta vs tors. theta energy: -15.657 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: 5 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -160.106847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.106847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.106847 (E_RNA) where: Base-Base interactions energy: -87.997 where: short stacking energy: -87.997 Base-Backbone interact. energy: -0.744 local terms energy: -71.366256 where: bonds (distance) C4'-P energy: -14.646 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -18.664 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -17.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -147.207669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.207669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.207669 (E_RNA) where: Base-Base interactions energy: -74.240 where: short stacking energy: -74.240 Base-Backbone interact. energy: 2.519 local terms energy: -75.486404 where: bonds (distance) C4'-P energy: -15.968 bonds (distance) P-C4' energy: -21.925 flat angles C4'-P-C4' energy: -17.702 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -14.244 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: 6 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -144.269075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.269075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.269075 (E_RNA) where: Base-Base interactions energy: -78.936 where: short stacking energy: -78.756 Base-Backbone interact. energy: 0.430 local terms energy: -65.763988 where: bonds (distance) C4'-P energy: -9.522 bonds (distance) P-C4' energy: -17.912 flat angles C4'-P-C4' energy: -13.371 flat angles P-C4'-P energy: -11.543 tors. eta vs tors. theta energy: -13.415 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: 9 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -130.715639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.715639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.715639 (E_RNA) where: Base-Base interactions energy: -67.698 where: short stacking energy: -67.698 Base-Backbone interact. energy: -0.087 local terms energy: -62.931378 where: bonds (distance) C4'-P energy: -16.581 bonds (distance) P-C4' energy: -12.115 flat angles C4'-P-C4' energy: -16.511 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -13.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -112.388382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.388382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.388382 (E_RNA) where: Base-Base interactions energy: -49.137 where: short stacking energy: -49.111 Base-Backbone interact. energy: -0.437 local terms energy: -62.815157 where: bonds (distance) C4'-P energy: -15.702 bonds (distance) P-C4' energy: -13.013 flat angles C4'-P-C4' energy: -17.144 flat angles P-C4'-P energy: -11.542 tors. eta vs tors. theta energy: -5.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -108.770315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.770315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.770315 (E_RNA) where: Base-Base interactions energy: -52.969 where: short stacking energy: -51.772 Base-Backbone interact. energy: -0.125 local terms energy: -55.676870 where: bonds (distance) C4'-P energy: -11.063 bonds (distance) P-C4' energy: -18.565 flat angles C4'-P-C4' energy: -12.691 flat angles P-C4'-P energy: -8.263 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: 1, replica: 1 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -198.070857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.070857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.070857 (E_RNA) where: Base-Base interactions energy: -109.960 where: short stacking energy: -109.555 Base-Backbone interact. energy: -0.186 local terms energy: -87.924764 where: bonds (distance) C4'-P energy: -17.408 bonds (distance) P-C4' energy: -20.169 flat angles C4'-P-C4' energy: -18.139 flat angles P-C4'-P energy: -10.384 tors. eta vs tors. theta energy: -21.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -207.913391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.913391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.913391 (E_RNA) where: Base-Base interactions energy: -110.915 where: short stacking energy: -110.915 Base-Backbone interact. energy: -0.006 local terms energy: -96.991721 where: bonds (distance) C4'-P energy: -22.049 bonds (distance) P-C4' energy: -15.816 flat angles C4'-P-C4' energy: -21.150 flat angles P-C4'-P energy: -12.341 tors. eta vs tors. theta energy: -25.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -213.492671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.492671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.492671 (E_RNA) where: Base-Base interactions energy: -116.953 where: short stacking energy: -116.953 Base-Backbone interact. energy: -0.000 local terms energy: -96.539723 where: bonds (distance) C4'-P energy: -15.458 bonds (distance) P-C4' energy: -20.827 flat angles C4'-P-C4' energy: -18.790 flat angles P-C4'-P energy: -12.367 tors. eta vs tors. theta energy: -29.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -152.637738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.637738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.637738 (E_RNA) where: Base-Base interactions energy: -72.844 where: short stacking energy: -72.844 Base-Backbone interact. energy: -0.031 local terms energy: -79.762762 where: bonds (distance) C4'-P energy: -19.739 bonds (distance) P-C4' energy: -14.994 flat angles C4'-P-C4' energy: -19.923 flat angles P-C4'-P energy: -13.549 tors. eta vs tors. theta energy: -11.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -155.729766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.729766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.729766 (E_RNA) where: Base-Base interactions energy: -79.704 where: short stacking energy: -79.704 Base-Backbone interact. energy: -0.004 local terms energy: -76.021658 where: bonds (distance) C4'-P energy: -19.338 bonds (distance) P-C4' energy: -15.872 flat angles C4'-P-C4' energy: -14.824 flat angles P-C4'-P energy: -13.229 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: 6 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -148.292335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.292335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.292335 (E_RNA) where: Base-Base interactions energy: -81.063 where: short stacking energy: -79.093 Base-Backbone interact. energy: -0.033 local terms energy: -67.196865 where: bonds (distance) C4'-P energy: -12.801 bonds (distance) P-C4' energy: -11.446 flat angles C4'-P-C4' energy: -19.068 flat angles P-C4'-P energy: -9.287 tors. eta vs tors. theta energy: -14.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -156.903889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.903889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.903889 (E_RNA) where: Base-Base interactions energy: -82.078 where: short stacking energy: -81.979 Base-Backbone interact. energy: -0.067 local terms energy: -74.759249 where: bonds (distance) C4'-P energy: -14.452 bonds (distance) P-C4' energy: -15.845 flat angles C4'-P-C4' energy: -16.101 flat angles P-C4'-P energy: -11.652 tors. eta vs tors. theta energy: -16.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -122.987940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.987940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.987940 (E_RNA) where: Base-Base interactions energy: -53.557 where: short stacking energy: -53.557 Base-Backbone interact. energy: -0.178 local terms energy: -69.252840 where: bonds (distance) C4'-P energy: -19.105 bonds (distance) P-C4' energy: -19.414 flat angles C4'-P-C4' energy: -13.126 flat angles P-C4'-P energy: -10.541 tors. eta vs tors. theta energy: -7.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -118.086565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.086565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.086565 (E_RNA) where: Base-Base interactions energy: -43.785 where: short stacking energy: -43.538 Base-Backbone interact. energy: -0.736 local terms energy: -73.565517 where: bonds (distance) C4'-P energy: -15.432 bonds (distance) P-C4' energy: -22.266 flat angles C4'-P-C4' energy: -21.261 flat angles P-C4'-P energy: -9.905 tors. eta vs tors. theta energy: -4.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -114.468476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.468476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.468476 (E_RNA) where: Base-Base interactions energy: -56.373 where: short stacking energy: -56.523 Base-Backbone interact. energy: -0.832 local terms energy: -57.263647 where: bonds (distance) C4'-P energy: -13.381 bonds (distance) P-C4' energy: -15.774 flat angles C4'-P-C4' energy: -19.338 flat angles P-C4'-P energy: 0.299 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: 1, replica: 1 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -207.029947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.029947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.029947 (E_RNA) where: Base-Base interactions energy: -105.991 where: short stacking energy: -105.991 Base-Backbone interact. energy: -0.078 local terms energy: -100.961305 where: bonds (distance) C4'-P energy: -21.076 bonds (distance) P-C4' energy: -21.712 flat angles C4'-P-C4' energy: -21.640 flat angles P-C4'-P energy: -12.641 tors. eta vs tors. theta energy: -23.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -197.727463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.727463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.727463 (E_RNA) where: Base-Base interactions energy: -105.091 where: short stacking energy: -105.091 Base-Backbone interact. energy: -0.001 local terms energy: -92.635563 where: bonds (distance) C4'-P energy: -15.965 bonds (distance) P-C4' energy: -18.734 flat angles C4'-P-C4' energy: -19.927 flat angles P-C4'-P energy: -15.666 tors. eta vs tors. theta energy: -22.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -217.639273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.639273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.639273 (E_RNA) where: Base-Base interactions energy: -120.982 where: short stacking energy: -120.982 Base-Backbone interact. energy: -0.000 local terms energy: -96.657312 where: bonds (distance) C4'-P energy: -13.885 bonds (distance) P-C4' energy: -19.577 flat angles C4'-P-C4' energy: -19.275 flat angles P-C4'-P energy: -13.134 tors. eta vs tors. theta energy: -30.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -179.042947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.042947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.042947 (E_RNA) where: Base-Base interactions energy: -90.583 where: short stacking energy: -90.583 Base-Backbone interact. energy: -0.002 local terms energy: -88.457936 where: bonds (distance) C4'-P energy: -15.024 bonds (distance) P-C4' energy: -15.643 flat angles C4'-P-C4' energy: -22.002 flat angles P-C4'-P energy: -13.432 tors. eta vs tors. theta energy: -22.357 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: 10 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -162.011840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.011840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.011840 (E_RNA) where: Base-Base interactions energy: -72.713 where: short stacking energy: -72.713 Base-Backbone interact. energy: -0.015 local terms energy: -89.283782 where: bonds (distance) C4'-P energy: -18.071 bonds (distance) P-C4' energy: -22.435 flat angles C4'-P-C4' energy: -19.085 flat angles P-C4'-P energy: -11.652 tors. eta vs tors. theta energy: -18.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -158.015858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.015858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.015858 (E_RNA) where: Base-Base interactions energy: -79.829 where: short stacking energy: -79.829 Base-Backbone interact. energy: -0.862 local terms energy: -77.325430 where: bonds (distance) C4'-P energy: -13.113 bonds (distance) P-C4' energy: -21.092 flat angles C4'-P-C4' energy: -17.960 flat angles P-C4'-P energy: -8.683 tors. eta vs tors. theta energy: -16.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -138.918857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.918857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.918857 (E_RNA) where: Base-Base interactions energy: -67.584 where: short stacking energy: -67.584 Base-Backbone interact. energy: -0.982 local terms energy: -70.352673 where: bonds (distance) C4'-P energy: -13.667 bonds (distance) P-C4' energy: -21.482 flat angles C4'-P-C4' energy: -14.055 flat angles P-C4'-P energy: -11.255 tors. eta vs tors. theta energy: -9.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -133.531018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.531018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.531018 (E_RNA) where: Base-Base interactions energy: -63.559 where: short stacking energy: -64.159 Base-Backbone interact. energy: -1.167 local terms energy: -68.804620 where: bonds (distance) C4'-P energy: -15.120 bonds (distance) P-C4' energy: -12.978 flat angles C4'-P-C4' energy: -16.747 flat angles P-C4'-P energy: -13.448 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: 9, replica: 3 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -129.498812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.498812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.498812 (E_RNA) where: Base-Base interactions energy: -65.834 where: short stacking energy: -65.834 Base-Backbone interact. energy: 0.217 local terms energy: -63.881688 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -17.580 flat angles C4'-P-C4' energy: -13.578 flat angles P-C4'-P energy: -5.873 tors. eta vs tors. theta energy: -14.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -109.933154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.933154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.933154 (E_RNA) where: Base-Base interactions energy: -46.721 where: short stacking energy: -46.721 Base-Backbone interact. energy: -0.192 local terms energy: -63.020626 where: bonds (distance) C4'-P energy: -16.928 bonds (distance) P-C4' energy: -17.409 flat angles C4'-P-C4' energy: -14.756 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -9.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) out arg RESULTS//1/h-9d3cc6c4_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 1 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -219.462517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.462517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.462517 (E_RNA) where: Base-Base interactions energy: -118.435 where: short stacking energy: -118.435 Base-Backbone interact. energy: -0.395 local terms energy: -100.632251 where: bonds (distance) C4'-P energy: -17.864 bonds (distance) P-C4' energy: -19.110 flat angles C4'-P-C4' energy: -23.310 flat angles P-C4'-P energy: -12.779 tors. eta vs tors. theta energy: -27.569 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: 2, replica: 4 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -220.638471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.638471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.638471 (E_RNA) where: Base-Base interactions energy: -119.391 where: short stacking energy: -119.391 Base-Backbone interact. energy: -0.000 local terms energy: -101.247521 where: bonds (distance) C4'-P energy: -21.214 bonds (distance) P-C4' energy: -17.579 flat angles C4'-P-C4' energy: -20.807 flat angles P-C4'-P energy: -12.275 tors. eta vs tors. theta energy: -29.372 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: 3, replica: 2 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -182.031596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.031596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.031596 (E_RNA) where: Base-Base interactions energy: -91.963 where: short stacking energy: -91.963 Base-Backbone interact. energy: -0.005 local terms energy: -90.063366 where: bonds (distance) C4'-P energy: -20.664 bonds (distance) P-C4' energy: -18.904 flat angles C4'-P-C4' energy: -19.485 flat angles P-C4'-P energy: -14.509 tors. eta vs tors. theta energy: -16.502 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: 10 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -164.238494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.238494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.238494 (E_RNA) where: Base-Base interactions energy: -82.012 where: short stacking energy: -82.012 Base-Backbone interact. energy: -0.100 local terms energy: -82.127260 where: bonds (distance) C4'-P energy: -17.768 bonds (distance) P-C4' energy: -17.497 flat angles C4'-P-C4' energy: -16.722 flat angles P-C4'-P energy: -14.852 tors. eta vs tors. theta energy: -15.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -180.584146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.584146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.584146 (E_RNA) where: Base-Base interactions energy: -90.441 where: short stacking energy: -89.813 Base-Backbone interact. energy: -0.019 local terms energy: -90.124860 where: bonds (distance) C4'-P energy: -17.246 bonds (distance) P-C4' energy: -21.951 flat angles C4'-P-C4' energy: -19.649 flat angles P-C4'-P energy: -10.402 tors. eta vs tors. theta energy: -20.877 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: 6 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -142.619800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.619800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.619800 (E_RNA) where: Base-Base interactions energy: -73.107 where: short stacking energy: -73.107 Base-Backbone interact. energy: 1.936 local terms energy: -71.448724 where: bonds (distance) C4'-P energy: -16.204 bonds (distance) P-C4' energy: -19.453 flat angles C4'-P-C4' energy: -16.271 flat angles P-C4'-P energy: -11.742 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: 7, replica: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -146.722817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.722817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.722817 (E_RNA) where: Base-Base interactions energy: -73.386 where: short stacking energy: -72.992 Base-Backbone interact. energy: 0.900 local terms energy: -74.237450 where: bonds (distance) C4'-P energy: -10.558 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -18.593 flat angles P-C4'-P energy: -17.233 tors. eta vs tors. theta energy: -15.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -127.256755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.256755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.256755 (E_RNA) where: Base-Base interactions energy: -61.840 where: short stacking energy: -61.778 Base-Backbone interact. energy: -0.381 local terms energy: -65.036355 where: bonds (distance) C4'-P energy: -14.982 bonds (distance) P-C4' energy: -9.528 flat angles C4'-P-C4' energy: -21.042 flat angles P-C4'-P energy: -10.533 tors. eta vs tors. theta energy: -8.951 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: 3 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -119.275210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.275210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.275210 (E_RNA) where: Base-Base interactions energy: -56.132 where: short stacking energy: -56.132 Base-Backbone interact. energy: -0.351 local terms energy: -62.792078 where: bonds (distance) C4'-P energy: -9.525 bonds (distance) P-C4' energy: -15.974 flat angles C4'-P-C4' energy: -14.648 flat angles P-C4'-P energy: -12.555 tors. eta vs tors. theta energy: -10.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -103.494485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.494485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.494485 (E_RNA) where: Base-Base interactions energy: -39.993 where: short stacking energy: -39.993 Base-Backbone interact. energy: -0.009 local terms energy: -63.492610 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -15.862 flat angles C4'-P-C4' energy: -16.986 flat angles P-C4'-P energy: -11.060 tors. eta vs tors. theta energy: -4.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -220.854701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.854701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.854701 (E_RNA) where: Base-Base interactions energy: -124.270 where: short stacking energy: -124.270 Base-Backbone interact. energy: -0.004 local terms energy: -96.581304 where: bonds (distance) C4'-P energy: -16.883 bonds (distance) P-C4' energy: -18.397 flat angles C4'-P-C4' energy: -16.276 flat angles P-C4'-P energy: -15.185 tors. eta vs tors. theta energy: -29.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -203.529560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.529560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.529560 (E_RNA) where: Base-Base interactions energy: -108.095 where: short stacking energy: -108.095 Base-Backbone interact. energy: -0.119 local terms energy: -95.315546 where: bonds (distance) C4'-P energy: -20.948 bonds (distance) P-C4' energy: -19.978 flat angles C4'-P-C4' energy: -17.112 flat angles P-C4'-P energy: -12.180 tors. eta vs tors. theta energy: -25.097 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: 10 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -177.734017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.734017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.734017 (E_RNA) where: Base-Base interactions energy: -90.799 where: short stacking energy: -90.799 Base-Backbone interact. energy: -0.003 local terms energy: -86.932217 where: bonds (distance) C4'-P energy: -12.940 bonds (distance) P-C4' energy: -20.838 flat angles C4'-P-C4' energy: -19.605 flat angles P-C4'-P energy: -13.344 tors. eta vs tors. theta energy: -20.204 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: 2 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -176.078795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.078795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.078795 (E_RNA) where: Base-Base interactions energy: -93.943 where: short stacking energy: -93.943 Base-Backbone interact. energy: 0.205 local terms energy: -82.340896 where: bonds (distance) C4'-P energy: -18.192 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -20.312 flat angles P-C4'-P energy: -11.184 tors. eta vs tors. theta energy: -18.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -192.097256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.097256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.097256 (E_RNA) where: Base-Base interactions energy: -109.139 where: short stacking energy: -109.139 Base-Backbone interact. energy: -0.031 local terms energy: -82.927044 where: bonds (distance) C4'-P energy: -15.499 bonds (distance) P-C4' energy: -10.699 flat angles C4'-P-C4' energy: -17.978 flat angles P-C4'-P energy: -13.130 tors. eta vs tors. theta energy: -25.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -147.969466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.969466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.969466 (E_RNA) where: Base-Base interactions energy: -68.838 where: short stacking energy: -68.838 Base-Backbone interact. energy: -0.101 local terms energy: -79.029782 where: bonds (distance) C4'-P energy: -20.365 bonds (distance) P-C4' energy: -19.052 flat angles C4'-P-C4' energy: -18.679 flat angles P-C4'-P energy: -6.887 tors. eta vs tors. theta energy: -14.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -150.961098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.961098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.961098 (E_RNA) where: Base-Base interactions energy: -75.735 where: short stacking energy: -74.743 Base-Backbone interact. energy: -0.128 local terms energy: -75.098283 where: bonds (distance) C4'-P energy: -11.612 bonds (distance) P-C4' energy: -19.122 flat angles C4'-P-C4' energy: -19.822 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -14.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -139.412058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.412058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.412058 (E_RNA) where: Base-Base interactions energy: -72.956 where: short stacking energy: -72.956 Base-Backbone interact. energy: -0.070 local terms energy: -66.385827 where: bonds (distance) C4'-P energy: -12.868 bonds (distance) P-C4' energy: -14.657 flat angles C4'-P-C4' energy: -16.315 flat angles P-C4'-P energy: -10.575 tors. eta vs tors. theta energy: -11.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -106.801996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.801996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.801996 (E_RNA) where: Base-Base interactions energy: -47.870 where: short stacking energy: -47.870 Base-Backbone interact. energy: -0.295 local terms energy: -58.636555 where: bonds (distance) C4'-P energy: -11.844 bonds (distance) P-C4' energy: -19.774 flat angles C4'-P-C4' energy: -19.779 flat angles P-C4'-P energy: -6.684 tors. eta vs tors. theta energy: -0.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -115.499222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.499222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.499222 (E_RNA) where: Base-Base interactions energy: -55.633 where: short stacking energy: -55.833 Base-Backbone interact. energy: 1.122 local terms energy: -60.987728 where: bonds (distance) C4'-P energy: -15.686 bonds (distance) P-C4' energy: -16.662 flat angles C4'-P-C4' energy: -15.881 flat angles P-C4'-P energy: -8.298 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -226.880918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.880918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.880918 (E_RNA) where: Base-Base interactions energy: -122.869 where: short stacking energy: -122.869 Base-Backbone interact. energy: -0.000 local terms energy: -104.011513 where: bonds (distance) C4'-P energy: -18.845 bonds (distance) P-C4' energy: -19.423 flat angles C4'-P-C4' energy: -20.336 flat angles P-C4'-P energy: -13.102 tors. eta vs tors. theta energy: -32.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -207.593799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.593799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.593799 (E_RNA) where: Base-Base interactions energy: -109.692 where: short stacking energy: -109.692 Base-Backbone interact. energy: -0.069 local terms energy: -97.833291 where: bonds (distance) C4'-P energy: -19.846 bonds (distance) P-C4' energy: -21.430 flat angles C4'-P-C4' energy: -19.859 flat angles P-C4'-P energy: -14.630 tors. eta vs tors. theta energy: -22.068 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: 10 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -183.845378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.845378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.845378 (E_RNA) where: Base-Base interactions energy: -103.599 where: short stacking energy: -101.655 Base-Backbone interact. energy: 2.389 local terms energy: -82.635109 where: bonds (distance) C4'-P energy: -13.371 bonds (distance) P-C4' energy: -16.674 flat angles C4'-P-C4' energy: -19.914 flat angles P-C4'-P energy: -12.754 tors. eta vs tors. theta energy: -19.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -199.770348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.770348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.770348 (E_RNA) where: Base-Base interactions energy: -109.812 where: short stacking energy: -109.812 Base-Backbone interact. energy: -0.088 local terms energy: -89.870817 where: bonds (distance) C4'-P energy: -17.209 bonds (distance) P-C4' energy: -18.802 flat angles C4'-P-C4' energy: -18.124 flat angles P-C4'-P energy: -12.784 tors. eta vs tors. theta energy: -22.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -177.345256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.345256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.345256 (E_RNA) where: Base-Base interactions energy: -91.971 where: short stacking energy: -91.971 Base-Backbone interact. energy: -0.000 local terms energy: -85.373948 where: bonds (distance) C4'-P energy: -14.465 bonds (distance) P-C4' energy: -19.783 flat angles C4'-P-C4' energy: -20.708 flat angles P-C4'-P energy: -11.445 tors. eta vs tors. theta energy: -18.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -169.391515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.391515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.391515 (E_RNA) where: Base-Base interactions energy: -86.982 where: short stacking energy: -86.824 Base-Backbone interact. energy: -0.017 local terms energy: -82.392207 where: bonds (distance) C4'-P energy: -16.734 bonds (distance) P-C4' energy: -16.237 flat angles C4'-P-C4' energy: -19.508 flat angles P-C4'-P energy: -11.644 tors. eta vs tors. theta energy: -18.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -141.546800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.546800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.546800 (E_RNA) where: Base-Base interactions energy: -68.508 where: short stacking energy: -68.508 Base-Backbone interact. energy: -0.706 local terms energy: -72.332390 where: bonds (distance) C4'-P energy: -17.397 bonds (distance) P-C4' energy: -18.786 flat angles C4'-P-C4' energy: -14.832 flat angles P-C4'-P energy: -11.092 tors. eta vs tors. theta energy: -10.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -141.935109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.935109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.935109 (E_RNA) where: Base-Base interactions energy: -63.003 where: short stacking energy: -63.003 Base-Backbone interact. energy: -0.018 local terms energy: -78.913742 where: bonds (distance) C4'-P energy: -18.314 bonds (distance) P-C4' energy: -19.964 flat angles C4'-P-C4' energy: -19.193 flat angles P-C4'-P energy: -8.126 tors. eta vs tors. theta energy: -13.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -124.499167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.499167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.499167 (E_RNA) where: Base-Base interactions energy: -63.698 where: short stacking energy: -63.698 Base-Backbone interact. energy: -0.093 local terms energy: -60.707516 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -10.936 flat angles C4'-P-C4' energy: -17.707 flat angles P-C4'-P energy: -8.599 tors. eta vs tors. theta energy: -9.089 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: 9 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -112.764005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.764005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.764005 (E_RNA) where: Base-Base interactions energy: -54.173 where: short stacking energy: -54.273 Base-Backbone interact. energy: -0.556 local terms energy: -58.035748 where: bonds (distance) C4'-P energy: -15.793 bonds (distance) P-C4' energy: -15.898 flat angles C4'-P-C4' energy: -11.980 flat angles P-C4'-P energy: -8.697 tors. eta vs tors. theta energy: -5.668 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -232.590656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.590656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.590656 (E_RNA) where: Base-Base interactions energy: -130.439 where: short stacking energy: -130.439 Base-Backbone interact. energy: -0.000 local terms energy: -102.151811 where: bonds (distance) C4'-P energy: -18.551 bonds (distance) P-C4' energy: -17.924 flat angles C4'-P-C4' energy: -19.955 flat angles P-C4'-P energy: -14.912 tors. eta vs tors. theta energy: -30.811 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: 1 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -209.272659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.272659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.272659 (E_RNA) where: Base-Base interactions energy: -112.748 where: short stacking energy: -112.748 Base-Backbone interact. energy: -0.009 local terms energy: -96.515358 where: bonds (distance) C4'-P energy: -15.880 bonds (distance) P-C4' energy: -19.710 flat angles C4'-P-C4' energy: -20.745 flat angles P-C4'-P energy: -14.395 tors. eta vs tors. theta energy: -25.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -176.349157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.349157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.349157 (E_RNA) where: Base-Base interactions energy: -91.892 where: short stacking energy: -89.325 Base-Backbone interact. energy: -0.228 local terms energy: -84.229144 where: bonds (distance) C4'-P energy: -10.750 bonds (distance) P-C4' energy: -21.519 flat angles C4'-P-C4' energy: -21.608 flat angles P-C4'-P energy: -14.232 tors. eta vs tors. theta energy: -16.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -163.664347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.664347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.664347 (E_RNA) where: Base-Base interactions energy: -82.027 where: short stacking energy: -85.027 Base-Backbone interact. energy: -0.212 local terms energy: -81.425527 where: bonds (distance) C4'-P energy: -19.954 bonds (distance) P-C4' energy: -18.475 flat angles C4'-P-C4' energy: -15.792 flat angles P-C4'-P energy: -10.798 tors. eta vs tors. theta energy: -16.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -165.699281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.699281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.699281 (E_RNA) where: Base-Base interactions energy: -90.764 where: short stacking energy: -90.764 Base-Backbone interact. energy: -0.064 local terms energy: -74.871169 where: bonds (distance) C4'-P energy: -14.434 bonds (distance) P-C4' energy: -19.949 flat angles C4'-P-C4' energy: -16.487 flat angles P-C4'-P energy: -11.488 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: 6, replica: 8 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -166.225740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.225740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.225740 (E_RNA) where: Base-Base interactions energy: -88.220 where: short stacking energy: -88.220 Base-Backbone interact. energy: -0.259 local terms energy: -77.746424 where: bonds (distance) C4'-P energy: -13.276 bonds (distance) P-C4' energy: -16.103 flat angles C4'-P-C4' energy: -20.732 flat angles P-C4'-P energy: -10.184 tors. eta vs tors. theta energy: -17.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -136.287150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.287150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.287150 (E_RNA) where: Base-Base interactions energy: -60.359 where: short stacking energy: -60.359 Base-Backbone interact. energy: -0.145 local terms energy: -75.783733 where: bonds (distance) C4'-P energy: -15.463 bonds (distance) P-C4' energy: -17.385 flat angles C4'-P-C4' energy: -20.436 flat angles P-C4'-P energy: -12.783 tors. eta vs tors. theta energy: -9.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -143.475180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.475180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.475180 (E_RNA) where: Base-Base interactions energy: -71.081 where: short stacking energy: -71.051 Base-Backbone interact. energy: -0.004 local terms energy: -72.390700 where: bonds (distance) C4'-P energy: -16.763 bonds (distance) P-C4' energy: -18.284 flat angles C4'-P-C4' energy: -18.613 flat angles P-C4'-P energy: -6.936 tors. eta vs tors. theta energy: -11.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -118.198738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.198738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.198738 (E_RNA) where: Base-Base interactions energy: -52.851 where: short stacking energy: -52.851 Base-Backbone interact. energy: -0.305 local terms energy: -65.043122 where: bonds (distance) C4'-P energy: -20.212 bonds (distance) P-C4' energy: -14.963 flat angles C4'-P-C4' energy: -14.598 flat angles P-C4'-P energy: -10.893 tors. eta vs tors. theta energy: -4.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -128.894490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.894490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.894490 (E_RNA) where: Base-Base interactions energy: -62.510 where: short stacking energy: -62.510 Base-Backbone interact. energy: -0.252 local terms energy: -66.132940 where: bonds (distance) C4'-P energy: -14.850 bonds (distance) P-C4' energy: -14.081 flat angles C4'-P-C4' energy: -17.259 flat angles P-C4'-P energy: -9.674 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -228.529416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.529416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.529416 (E_RNA) where: Base-Base interactions energy: -120.647 where: short stacking energy: -120.647 Base-Backbone interact. energy: -0.000 local terms energy: -107.881970 where: bonds (distance) C4'-P energy: -20.472 bonds (distance) P-C4' energy: -20.574 flat angles C4'-P-C4' energy: -21.621 flat angles P-C4'-P energy: -14.538 tors. eta vs tors. theta energy: -30.678 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: 2, replica: 1 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -197.701477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.701477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.701477 (E_RNA) where: Base-Base interactions energy: -101.989 where: short stacking energy: -101.989 Base-Backbone interact. energy: -0.211 local terms energy: -95.501459 where: bonds (distance) C4'-P energy: -19.527 bonds (distance) P-C4' energy: -20.957 flat angles C4'-P-C4' energy: -18.026 flat angles P-C4'-P energy: -13.368 tors. eta vs tors. theta energy: -23.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -174.705840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.705840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.705840 (E_RNA) where: Base-Base interactions energy: -81.196 where: short stacking energy: -81.396 Base-Backbone interact. energy: -0.010 local terms energy: -93.499752 where: bonds (distance) C4'-P energy: -20.617 bonds (distance) P-C4' energy: -20.581 flat angles C4'-P-C4' energy: -21.549 flat angles P-C4'-P energy: -11.055 tors. eta vs tors. theta energy: -19.698 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: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -177.413301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.413301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.413301 (E_RNA) where: Base-Base interactions energy: -94.177 where: short stacking energy: -94.177 Base-Backbone interact. energy: -0.079 local terms energy: -83.157425 where: bonds (distance) C4'-P energy: -18.592 bonds (distance) P-C4' energy: -16.843 flat angles C4'-P-C4' energy: -17.511 flat angles P-C4'-P energy: -12.169 tors. eta vs tors. theta energy: -18.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -159.361602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.361602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.361602 (E_RNA) where: Base-Base interactions energy: -79.906 where: short stacking energy: -79.906 Base-Backbone interact. energy: -0.500 local terms energy: -78.955246 where: bonds (distance) C4'-P energy: -18.220 bonds (distance) P-C4' energy: -16.893 flat angles C4'-P-C4' energy: -15.519 flat angles P-C4'-P energy: -11.924 tors. eta vs tors. theta energy: -16.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -148.087516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.087516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.087516 (E_RNA) where: Base-Base interactions energy: -76.806 where: short stacking energy: -75.478 Base-Backbone interact. energy: -0.006 local terms energy: -71.275162 where: bonds (distance) C4'-P energy: -15.608 bonds (distance) P-C4' energy: -14.958 flat angles C4'-P-C4' energy: -16.859 flat angles P-C4'-P energy: -12.762 tors. eta vs tors. theta energy: -11.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -138.575141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.575141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.575141 (E_RNA) where: Base-Base interactions energy: -65.504 where: short stacking energy: -65.504 Base-Backbone interact. energy: -0.018 local terms energy: -73.052609 where: bonds (distance) C4'-P energy: -18.881 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -17.972 flat angles P-C4'-P energy: -7.079 tors. eta vs tors. theta energy: -12.220 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: 7 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -137.614001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.614001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.614001 (E_RNA) where: Base-Base interactions energy: -70.087 where: short stacking energy: -70.087 Base-Backbone interact. energy: -0.062 local terms energy: -67.465834 where: bonds (distance) C4'-P energy: -9.895 bonds (distance) P-C4' energy: -19.874 flat angles C4'-P-C4' energy: -15.264 flat angles P-C4'-P energy: -10.317 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: 9, replica: 6 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -125.277807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.277807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.277807 (E_RNA) where: Base-Base interactions energy: -58.408 where: short stacking energy: -58.408 Base-Backbone interact. energy: 1.757 local terms energy: -68.626664 where: bonds (distance) C4'-P energy: -9.365 bonds (distance) P-C4' energy: -19.743 flat angles C4'-P-C4' energy: -17.392 flat angles P-C4'-P energy: -11.782 tors. eta vs tors. theta energy: -10.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -114.663376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.663376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.663376 (E_RNA) where: Base-Base interactions energy: -49.968 where: short stacking energy: -49.968 Base-Backbone interact. energy: -0.088 local terms energy: -64.606954 where: bonds (distance) C4'-P energy: -18.262 bonds (distance) P-C4' energy: -14.951 flat angles C4'-P-C4' energy: -12.928 flat angles P-C4'-P energy: -14.196 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 1 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -205.507075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.507075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.507075 (E_RNA) where: Base-Base interactions energy: -110.319 where: short stacking energy: -110.319 Base-Backbone interact. energy: -0.013 local terms energy: -95.175666 where: bonds (distance) C4'-P energy: -18.471 bonds (distance) P-C4' energy: -20.098 flat angles C4'-P-C4' energy: -21.112 flat angles P-C4'-P energy: -12.977 tors. eta vs tors. theta energy: -22.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -215.734367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.734367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.734367 (E_RNA) where: Base-Base interactions energy: -118.376 where: short stacking energy: -118.376 Base-Backbone interact. energy: -0.000 local terms energy: -97.358048 where: bonds (distance) C4'-P energy: -15.691 bonds (distance) P-C4' energy: -21.507 flat angles C4'-P-C4' energy: -19.617 flat angles P-C4'-P energy: -12.602 tors. eta vs tors. theta energy: -27.941 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: 2 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -184.436903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.436903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.436903 (E_RNA) where: Base-Base interactions energy: -102.990 where: short stacking energy: -102.990 Base-Backbone interact. energy: -0.011 local terms energy: -81.435757 where: bonds (distance) C4'-P energy: -18.873 bonds (distance) P-C4' energy: -14.475 flat angles C4'-P-C4' energy: -19.306 flat angles P-C4'-P energy: -9.153 tors. eta vs tors. theta energy: -19.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -196.753953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.753953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.753953 (E_RNA) where: Base-Base interactions energy: -101.154 where: short stacking energy: -100.321 Base-Backbone interact. energy: -0.517 local terms energy: -95.083478 where: bonds (distance) C4'-P energy: -17.416 bonds (distance) P-C4' energy: -18.283 flat angles C4'-P-C4' energy: -20.856 flat angles P-C4'-P energy: -15.507 tors. eta vs tors. theta energy: -23.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -188.562126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.562126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.562126 (E_RNA) where: Base-Base interactions energy: -96.525 where: short stacking energy: -96.525 Base-Backbone interact. energy: -0.023 local terms energy: -92.014568 where: bonds (distance) C4'-P energy: -13.239 bonds (distance) P-C4' energy: -19.518 flat angles C4'-P-C4' energy: -19.572 flat angles P-C4'-P energy: -15.282 tors. eta vs tors. theta energy: -24.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -149.618110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.618110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.618110 (E_RNA) where: Base-Base interactions energy: -69.622 where: short stacking energy: -69.622 Base-Backbone interact. energy: 1.241 local terms energy: -81.237799 where: bonds (distance) C4'-P energy: -20.351 bonds (distance) P-C4' energy: -19.515 flat angles C4'-P-C4' energy: -18.288 flat angles P-C4'-P energy: -12.549 tors. eta vs tors. theta energy: -10.534 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: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -130.198612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.198612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.198612 (E_RNA) where: Base-Base interactions energy: -56.973 where: short stacking energy: -56.973 Base-Backbone interact. energy: -0.161 local terms energy: -73.064867 where: bonds (distance) C4'-P energy: -17.942 bonds (distance) P-C4' energy: -21.715 flat angles C4'-P-C4' energy: -11.917 flat angles P-C4'-P energy: -9.269 tors. eta vs tors. theta energy: -12.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -131.057434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.057434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.057434 (E_RNA) where: Base-Base interactions energy: -65.323 where: short stacking energy: -64.503 Base-Backbone interact. energy: -0.194 local terms energy: -65.539833 where: bonds (distance) C4'-P energy: -18.741 bonds (distance) P-C4' energy: -14.953 flat angles C4'-P-C4' energy: -16.826 flat angles P-C4'-P energy: -8.269 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: 9, replica: 6 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -127.919169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.919169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.919169 (E_RNA) where: Base-Base interactions energy: -60.306 where: short stacking energy: -60.945 Base-Backbone interact. energy: -0.508 local terms energy: -67.105915 where: bonds (distance) C4'-P energy: -18.182 bonds (distance) P-C4' energy: -14.769 flat angles C4'-P-C4' energy: -14.288 flat angles P-C4'-P energy: -11.636 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: 10, replica: 9 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -120.255884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.255884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.255884 (E_RNA) where: Base-Base interactions energy: -55.186 where: short stacking energy: -55.286 Base-Backbone interact. energy: -0.107 local terms energy: -64.962575 where: bonds (distance) C4'-P energy: -16.303 bonds (distance) P-C4' energy: -15.174 flat angles C4'-P-C4' energy: -14.823 flat angles P-C4'-P energy: -11.540 tors. eta vs tors. theta energy: -7.123 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 1 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -207.533900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.533900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.533900 (E_RNA) where: Base-Base interactions energy: -112.210 where: short stacking energy: -112.210 Base-Backbone interact. energy: -0.050 local terms energy: -95.273088 where: bonds (distance) C4'-P energy: -18.368 bonds (distance) P-C4' energy: -20.308 flat angles C4'-P-C4' energy: -18.743 flat angles P-C4'-P energy: -13.841 tors. eta vs tors. theta energy: -24.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -191.345368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.345368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.345368 (E_RNA) where: Base-Base interactions energy: -103.465 where: short stacking energy: -103.465 Base-Backbone interact. energy: -0.007 local terms energy: -87.873658 where: bonds (distance) C4'-P energy: -17.057 bonds (distance) P-C4' energy: -16.779 flat angles C4'-P-C4' energy: -18.670 flat angles P-C4'-P energy: -11.802 tors. eta vs tors. theta energy: -23.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -181.400297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.400297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.400297 (E_RNA) where: Base-Base interactions energy: -102.687 where: short stacking energy: -102.687 Base-Backbone interact. energy: -0.006 local terms energy: -78.707377 where: bonds (distance) C4'-P energy: -18.319 bonds (distance) P-C4' energy: -15.481 flat angles C4'-P-C4' energy: -13.065 flat angles P-C4'-P energy: -10.325 tors. eta vs tors. theta energy: -21.517 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: 427 Temperature: 1.050000 Total energy: -187.535498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.535498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.535498 (E_RNA) where: Base-Base interactions energy: -98.899 where: short stacking energy: -98.899 Base-Backbone interact. energy: -0.003 local terms energy: -88.633380 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -16.719 flat angles C4'-P-C4' energy: -18.578 flat angles P-C4'-P energy: -15.853 tors. eta vs tors. theta energy: -23.374 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: 3 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -163.445371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.445371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.445371 (E_RNA) where: Base-Base interactions energy: -87.141 where: short stacking energy: -87.141 Base-Backbone interact. energy: -0.060 local terms energy: -76.245013 where: bonds (distance) C4'-P energy: -16.001 bonds (distance) P-C4' energy: -19.482 flat angles C4'-P-C4' energy: -16.602 flat angles P-C4'-P energy: -7.730 tors. eta vs tors. theta energy: -16.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -157.195916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.195916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.195916 (E_RNA) where: Base-Base interactions energy: -75.587 where: short stacking energy: -75.587 Base-Backbone interact. energy: -0.022 local terms energy: -81.586744 where: bonds (distance) C4'-P energy: -18.294 bonds (distance) P-C4' energy: -13.151 flat angles C4'-P-C4' energy: -20.250 flat angles P-C4'-P energy: -15.497 tors. eta vs tors. theta energy: -14.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -153.127237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.127237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.127237 (E_RNA) where: Base-Base interactions energy: -75.081 where: short stacking energy: -75.081 Base-Backbone interact. energy: -0.142 local terms energy: -77.904538 where: bonds (distance) C4'-P energy: -14.643 bonds (distance) P-C4' energy: -17.326 flat angles C4'-P-C4' energy: -15.337 flat angles P-C4'-P energy: -13.455 tors. eta vs tors. theta energy: -17.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -129.666315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.666315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.666315 (E_RNA) where: Base-Base interactions energy: -64.708 where: short stacking energy: -64.708 Base-Backbone interact. energy: -0.162 local terms energy: -64.795872 where: bonds (distance) C4'-P energy: -12.961 bonds (distance) P-C4' energy: -18.289 flat angles C4'-P-C4' energy: -18.171 flat angles P-C4'-P energy: -5.461 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: 9, replica: 8 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -117.962160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.962160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.962160 (E_RNA) where: Base-Base interactions energy: -48.647 where: short stacking energy: -49.331 Base-Backbone interact. energy: -0.154 local terms energy: -69.160385 where: bonds (distance) C4'-P energy: -17.276 bonds (distance) P-C4' energy: -21.239 flat angles C4'-P-C4' energy: -14.333 flat angles P-C4'-P energy: -13.268 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -108.827383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.827383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.827383 (E_RNA) where: Base-Base interactions energy: -43.664 where: short stacking energy: -43.483 Base-Backbone interact. energy: -0.138 local terms energy: -65.025264 where: bonds (distance) C4'-P energy: -15.946 bonds (distance) P-C4' energy: -19.507 flat angles C4'-P-C4' energy: -17.438 flat angles P-C4'-P energy: -7.144 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 1 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -194.974190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.974190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.974190 (E_RNA) where: Base-Base interactions energy: -103.936 where: short stacking energy: -103.936 Base-Backbone interact. energy: -0.003 local terms energy: -91.035264 where: bonds (distance) C4'-P energy: -19.829 bonds (distance) P-C4' energy: -21.464 flat angles C4'-P-C4' energy: -15.621 flat angles P-C4'-P energy: -13.911 tors. eta vs tors. theta energy: -20.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -191.504411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.504411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.504411 (E_RNA) where: Base-Base interactions energy: -104.602 where: short stacking energy: -104.602 Base-Backbone interact. energy: -0.002 local terms energy: -86.900535 where: bonds (distance) C4'-P energy: -18.355 bonds (distance) P-C4' energy: -18.936 flat angles C4'-P-C4' energy: -18.657 flat angles P-C4'-P energy: -8.871 tors. eta vs tors. theta energy: -22.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -185.209169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.209169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.209169 (E_RNA) where: Base-Base interactions energy: -99.678 where: short stacking energy: -99.678 Base-Backbone interact. energy: -0.542 local terms energy: -84.989337 where: bonds (distance) C4'-P energy: -13.511 bonds (distance) P-C4' energy: -17.519 flat angles C4'-P-C4' energy: -17.318 flat angles P-C4'-P energy: -15.952 tors. eta vs tors. theta energy: -20.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -181.972992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.972992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.972992 (E_RNA) where: Base-Base interactions energy: -100.855 where: short stacking energy: -100.855 Base-Backbone interact. energy: -0.018 local terms energy: -81.100362 where: bonds (distance) C4'-P energy: -16.284 bonds (distance) P-C4' energy: -19.400 flat angles C4'-P-C4' energy: -18.112 flat angles P-C4'-P energy: -7.139 tors. eta vs tors. theta energy: -20.165 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: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -149.231544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.231544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.231544 (E_RNA) where: Base-Base interactions energy: -74.696 where: short stacking energy: -74.696 Base-Backbone interact. energy: 0.157 local terms energy: -74.692589 where: bonds (distance) C4'-P energy: -15.437 bonds (distance) P-C4' energy: -18.784 flat angles C4'-P-C4' energy: -17.332 flat angles P-C4'-P energy: -9.072 tors. eta vs tors. theta energy: -14.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -149.341010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.341010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.341010 (E_RNA) where: Base-Base interactions energy: -76.011 where: short stacking energy: -76.011 Base-Backbone interact. energy: -0.014 local terms energy: -73.315394 where: bonds (distance) C4'-P energy: -11.430 bonds (distance) P-C4' energy: -15.028 flat angles C4'-P-C4' energy: -19.369 flat angles P-C4'-P energy: -12.499 tors. eta vs tors. theta energy: -14.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -132.780682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.780682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.780682 (E_RNA) where: Base-Base interactions energy: -63.421 where: short stacking energy: -63.421 Base-Backbone interact. energy: 0.234 local terms energy: -69.593164 where: bonds (distance) C4'-P energy: -19.954 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -9.644 flat angles P-C4'-P energy: -12.168 tors. eta vs tors. theta energy: -14.196 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: 10 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -130.447425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.447425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.447425 (E_RNA) where: Base-Base interactions energy: -59.842 where: short stacking energy: -59.271 Base-Backbone interact. energy: -0.102 local terms energy: -70.504043 where: bonds (distance) C4'-P energy: -17.235 bonds (distance) P-C4' energy: -20.155 flat angles C4'-P-C4' energy: -14.076 flat angles P-C4'-P energy: -10.986 tors. eta vs tors. theta energy: -8.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -139.180237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.180237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.180237 (E_RNA) where: Base-Base interactions energy: -65.907 where: short stacking energy: -65.907 Base-Backbone interact. energy: -0.329 local terms energy: -72.945089 where: bonds (distance) C4'-P energy: -17.302 bonds (distance) P-C4' energy: -19.105 flat angles C4'-P-C4' energy: -15.282 flat angles P-C4'-P energy: -6.139 tors. eta vs tors. theta energy: -15.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -115.650767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.650767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.650767 (E_RNA) where: Base-Base interactions energy: -50.178 where: short stacking energy: -50.178 Base-Backbone interact. energy: 1.163 local terms energy: -66.635542 where: bonds (distance) C4'-P energy: -14.535 bonds (distance) P-C4' energy: -18.706 flat angles C4'-P-C4' energy: -16.055 flat angles P-C4'-P energy: -11.583 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)