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/aaa-12c82a81/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aaa-12c82a81/inputs/seq.fa: 1 curr_seq: _gccaaggc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: gccaaggc 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/aaa-12c82a81/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aaa-12c82a81/inputs/seq.fa: 1 curr_seq: _gccaaggc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: gccaaggc 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/aaa-12c82a81/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aaa-12c82a81/inputs/seq.fa: 1 curr_seq: _gccaaggc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: gccaaggc 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/aaa-12c82a81/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aaa-12c82a81/inputs/seq.fa: 1 curr_seq: _gccaaggc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: gccaaggc 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/aaa-12c82a81/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aaa-12c82a81/inputs/seq.fa: 1 curr_seq: _gccaaggc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: gccaaggc 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/aaa-12c82a81/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aaa-12c82a81/inputs/seq.fa: 1 curr_seq: _gccaaggc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: gccaaggc 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/aaa-12c82a81/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aaa-12c82a81/inputs/seq.fa: 1 curr_seq: _gccaaggc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: gccaaggc 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/aaa-12c82a81/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aaa-12c82a81/inputs/seq.fa: 1 curr_seq: _gccaaggc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: gccaaggc 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/aaa-12c82a81/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aaa-12c82a81/inputs/seq.fa: 1 curr_seq: _gccaaggc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: gccaaggc 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/aaa-12c82a81/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aaa-12c82a81/inputs/seq.fa: 1 curr_seq: _gccaaggc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: gccaaggc 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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: -27.391194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.391194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.391194 (E_RNA) where: Base-Base interactions energy: -0.158 where: short stacking energy: -0.158 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -27.391194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.391194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.391194 (E_RNA) where: Base-Base interactions energy: -0.158 where: short stacking energy: -0.158 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -27.391194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.391194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.391194 (E_RNA) where: Base-Base interactions energy: -0.158 where: short stacking energy: -0.158 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -27.391194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.391194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.391194 (E_RNA) where: Base-Base interactions energy: -0.158 where: short stacking energy: -0.158 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -27.391194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.391194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.391194 (E_RNA) where: Base-Base interactions energy: -0.158 where: short stacking energy: -0.158 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -27.391194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.391194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.391194 (E_RNA) where: Base-Base interactions energy: -0.158 where: short stacking energy: -0.158 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -27.391194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.391194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.391194 (E_RNA) where: Base-Base interactions energy: -0.158 where: short stacking energy: -0.158 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -27.391194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.391194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.391194 (E_RNA) where: Base-Base interactions energy: -0.158 where: short stacking energy: -0.158 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -27.391194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.391194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.391194 (E_RNA) where: Base-Base interactions energy: -0.158 where: short stacking energy: -0.158 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -27.391194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.391194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.391194 (E_RNA) where: Base-Base interactions energy: -0.158 where: short stacking energy: -0.158 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -82.183553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.183553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.183553 (E_RNA) where: Base-Base interactions energy: -59.931 where: short stacking energy: -20.710 Base-Backbone interact. energy: -0.003 local terms energy: -22.249741 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -3.822 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: -3.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -86.531669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.531669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.531669 (E_RNA) where: Base-Base interactions energy: -61.194 where: short stacking energy: -24.497 Base-Backbone interact. energy: -0.057 local terms energy: -25.280395 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -2.282 tors. eta vs tors. theta energy: -4.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -55.219860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.219860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.219860 (E_RNA) where: Base-Base interactions energy: -29.816 where: short stacking energy: -29.816 Base-Backbone interact. energy: -0.212 local terms energy: -25.191300 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -6.578 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -2.996 tors. eta vs tors. theta energy: -5.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -55.590834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.590834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.590834 (E_RNA) where: Base-Base interactions energy: -28.319 where: short stacking energy: -28.319 Base-Backbone interact. energy: -0.000 local terms energy: -27.271814 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -3.769 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -7.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -48.358466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.358466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.358466 (E_RNA) where: Base-Base interactions energy: -19.325 where: short stacking energy: -19.325 Base-Backbone interact. energy: -0.119 local terms energy: -28.914744 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -3.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -54.882092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.882092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.882092 (E_RNA) where: Base-Base interactions energy: -28.400 where: short stacking energy: -28.400 Base-Backbone interact. energy: -0.068 local terms energy: -26.413981 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -2.714 tors. eta vs tors. theta energy: -4.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -50.091960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.091960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.091960 (E_RNA) where: Base-Base interactions energy: -28.234 where: short stacking energy: -28.234 Base-Backbone interact. energy: -0.000 local terms energy: -21.857304 where: bonds (distance) C4'-P energy: -3.418 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -1.819 tors. eta vs tors. theta energy: -6.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -47.058835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.058835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.058835 (E_RNA) where: Base-Base interactions energy: -17.777 where: short stacking energy: -17.777 Base-Backbone interact. energy: -0.000 local terms energy: -29.281619 where: bonds (distance) C4'-P energy: -6.067 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -5.722 tors. eta vs tors. theta energy: -6.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -46.434706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.434706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.434706 (E_RNA) where: Base-Base interactions energy: -25.330 where: short stacking energy: -12.260 Base-Backbone interact. energy: -0.044 local terms energy: -21.060019 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -4.849 flat angles C4'-P-C4' energy: -1.750 flat angles P-C4'-P energy: -3.781 tors. eta vs tors. theta energy: -4.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -42.040659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.040659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.040659 (E_RNA) where: Base-Base interactions energy: -25.271 where: short stacking energy: -11.259 Base-Backbone interact. energy: -0.390 local terms energy: -16.380394 where: bonds (distance) C4'-P energy: -3.677 bonds (distance) P-C4' energy: -6.308 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: 1.683 tors. eta vs tors. theta energy: -3.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -88.687848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.687848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.687848 (E_RNA) where: Base-Base interactions energy: -68.835 where: short stacking energy: -24.707 Base-Backbone interact. energy: -0.001 local terms energy: -19.851671 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -7.394 flat angles P-C4'-P energy: 3.228 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -90.557343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.557343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.557343 (E_RNA) where: Base-Base interactions energy: -64.896 where: short stacking energy: -23.218 Base-Backbone interact. energy: -0.106 local terms energy: -25.555379 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -4.470 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -54.358256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.358256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.358256 (E_RNA) where: Base-Base interactions energy: -31.068 where: short stacking energy: -13.564 Base-Backbone interact. energy: -0.000 local terms energy: -23.290394 where: bonds (distance) C4'-P energy: -4.179 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -54.068796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.068796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.068796 (E_RNA) where: Base-Base interactions energy: -24.991 where: short stacking energy: -18.952 Base-Backbone interact. energy: -0.089 local terms energy: -28.988821 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -4.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -49.808098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.808098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.808098 (E_RNA) where: Base-Base interactions energy: -25.667 where: short stacking energy: -23.363 Base-Backbone interact. energy: -0.021 local terms energy: -24.119653 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -1.978 tors. eta vs tors. theta energy: -3.648 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: 3 Temperature: 1.150000 Total energy: -40.493394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.493394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.493394 (E_RNA) where: Base-Base interactions energy: -14.087 where: short stacking energy: -14.087 Base-Backbone interact. energy: -0.004 local terms energy: -26.402509 where: bonds (distance) C4'-P energy: -5.493 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.433 flat angles P-C4'-P energy: -2.682 tors. eta vs tors. theta energy: -5.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -41.541307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.541307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.541307 (E_RNA) where: Base-Base interactions energy: -17.397 where: short stacking energy: -17.397 Base-Backbone interact. energy: -0.001 local terms energy: -24.143458 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -2.559 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -43.858403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.858403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.858403 (E_RNA) where: Base-Base interactions energy: -22.580 where: short stacking energy: -20.767 Base-Backbone interact. energy: 0.252 local terms energy: -21.529708 where: bonds (distance) C4'-P energy: -3.717 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -1.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -80.371930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.371930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.371930 (E_RNA) where: Base-Base interactions energy: -60.308 where: short stacking energy: -18.525 Base-Backbone interact. energy: -0.003 local terms energy: -20.061440 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -1.053 tors. eta vs tors. theta energy: -3.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -49.019059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.019059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.019059 (E_RNA) where: Base-Base interactions energy: -25.496 where: short stacking energy: -18.571 Base-Backbone interact. energy: -0.075 local terms energy: -23.448175 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -1.238 tors. eta vs tors. theta energy: -1.728 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -92.489446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.489446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.489446 (E_RNA) where: Base-Base interactions energy: -68.461 where: short stacking energy: -26.359 Base-Backbone interact. energy: -0.023 local terms energy: -24.005299 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: 0.031 tors. eta vs tors. theta energy: -5.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -88.244503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.244503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.244503 (E_RNA) where: Base-Base interactions energy: -67.419 where: short stacking energy: -25.049 Base-Backbone interact. energy: -0.002 local terms energy: -20.823926 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: 1.858 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: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -56.264442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.264442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.264442 (E_RNA) where: Base-Base interactions energy: -30.265 where: short stacking energy: -9.325 Base-Backbone interact. energy: -0.020 local terms energy: -25.979203 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -4.787 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -3.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -50.087071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.087071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.087071 (E_RNA) where: Base-Base interactions energy: -21.683 where: short stacking energy: -17.917 Base-Backbone interact. energy: -0.000 local terms energy: -28.404386 where: bonds (distance) C4'-P energy: -4.023 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -3.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -51.621080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.621080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.621080 (E_RNA) where: Base-Base interactions energy: -23.882 where: short stacking energy: -20.362 Base-Backbone interact. energy: -0.001 local terms energy: -27.738198 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.266 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -4.717 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: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -49.752845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.752845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.752845 (E_RNA) where: Base-Base interactions energy: -28.564 where: short stacking energy: -21.467 Base-Backbone interact. energy: -0.448 local terms energy: -20.740710 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -2.832 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -3.771 tors. eta vs tors. theta energy: -1.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -45.887287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.887287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.887287 (E_RNA) where: Base-Base interactions energy: -23.445 where: short stacking energy: -15.692 Base-Backbone interact. energy: -0.014 local terms energy: -22.428380 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -3.776 flat angles C4'-P-C4' energy: -5.653 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -2.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -44.080593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.080593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.080593 (E_RNA) where: Base-Base interactions energy: -19.815 where: short stacking energy: -17.683 Base-Backbone interact. energy: -0.072 local terms energy: -24.193460 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -2.510 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -51.434773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.434773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.434773 (E_RNA) where: Base-Base interactions energy: -24.367 where: short stacking energy: -24.367 Base-Backbone interact. energy: -0.000 local terms energy: -27.068258 where: bonds (distance) C4'-P energy: -5.425 bonds (distance) P-C4' energy: -5.885 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -2.781 tors. eta vs tors. theta energy: -7.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -38.397932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.397932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.397932 (E_RNA) where: Base-Base interactions energy: -21.875 where: short stacking energy: -21.875 Base-Backbone interact. energy: -0.024 local terms energy: -16.498812 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -3.935 flat angles C4'-P-C4' energy: -2.997 flat angles P-C4'-P energy: 0.248 tors. eta vs tors. theta energy: -3.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -81.267465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.267465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.267465 (E_RNA) where: Base-Base interactions energy: -52.655 where: short stacking energy: -22.020 Base-Backbone interact. energy: -0.509 local terms energy: -28.103549 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -4.213 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: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -73.977578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.977578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.977578 (E_RNA) where: Base-Base interactions energy: -44.573 where: short stacking energy: -25.354 Base-Backbone interact. energy: -0.000 local terms energy: -29.404840 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.805 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -5.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -90.132773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.132773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.132773 (E_RNA) where: Base-Base interactions energy: -64.897 where: short stacking energy: -25.321 Base-Backbone interact. energy: -0.110 local terms energy: -25.125883 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.395 flat angles P-C4'-P energy: -0.965 tors. eta vs tors. theta energy: -4.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -56.138778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.138778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.138778 (E_RNA) where: Base-Base interactions energy: -28.045 where: short stacking energy: -20.434 Base-Backbone interact. energy: -0.273 local terms energy: -27.821037 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -4.461 tors. eta vs tors. theta energy: -3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -84.970007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.970007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.970007 (E_RNA) where: Base-Base interactions energy: -67.338 where: short stacking energy: -27.115 Base-Backbone interact. energy: -0.016 local terms energy: -17.615812 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -3.821 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: 1.675 tors. eta vs tors. theta energy: -4.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -53.620810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.620810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.620810 (E_RNA) where: Base-Base interactions energy: -27.212 where: short stacking energy: -27.212 Base-Backbone interact. energy: -0.000 local terms energy: -26.408479 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -4.777 flat angles P-C4'-P energy: -1.077 tors. eta vs tors. theta energy: -6.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -43.586900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.586900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.586900 (E_RNA) where: Base-Base interactions energy: -22.190 where: short stacking energy: -15.759 Base-Backbone interact. energy: -0.665 local terms energy: -20.731580 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -0.790 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -44.973209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.973209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.973209 (E_RNA) where: Base-Base interactions energy: -21.272 where: short stacking energy: -18.886 Base-Backbone interact. energy: -0.096 local terms energy: -23.605346 where: bonds (distance) C4'-P energy: -4.200 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -3.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -38.829256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.829256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.829256 (E_RNA) where: Base-Base interactions energy: -12.922 where: short stacking energy: -12.788 Base-Backbone interact. energy: -0.009 local terms energy: -25.898650 where: bonds (distance) C4'-P energy: -5.636 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -3.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -37.822689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.822689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.822689 (E_RNA) where: Base-Base interactions energy: -11.371 where: short stacking energy: -10.404 Base-Backbone interact. energy: -0.191 local terms energy: -26.261104 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -1.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -78.430289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.430289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.430289 (E_RNA) where: Base-Base interactions energy: -47.600 where: short stacking energy: -28.141 Base-Backbone interact. energy: -0.001 local terms energy: -30.829083 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.154 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -5.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -84.671232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.671232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.671232 (E_RNA) where: Base-Base interactions energy: -60.963 where: short stacking energy: -17.828 Base-Backbone interact. energy: -0.036 local terms energy: -23.673000 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -76.430288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.430288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.430288 (E_RNA) where: Base-Base interactions energy: -52.527 where: short stacking energy: -17.858 Base-Backbone interact. energy: -0.036 local terms energy: -23.866775 where: bonds (distance) C4'-P energy: -4.448 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -1.994 tors. eta vs tors. theta energy: -3.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -80.592027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.592027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.592027 (E_RNA) where: Base-Base interactions energy: -54.605 where: short stacking energy: -23.212 Base-Backbone interact. energy: -0.003 local terms energy: -25.983905 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -80.865524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.865524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.865524 (E_RNA) where: Base-Base interactions energy: -58.201 where: short stacking energy: -21.520 Base-Backbone interact. energy: -0.002 local terms energy: -22.662828 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -5.507 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: 0.261 tors. eta vs tors. theta energy: -4.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -48.748229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.748229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.748229 (E_RNA) where: Base-Base interactions energy: -29.176 where: short stacking energy: -29.176 Base-Backbone interact. energy: -0.002 local terms energy: -19.570250 where: bonds (distance) C4'-P energy: -3.890 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -0.413 tors. eta vs tors. theta energy: -4.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -52.966010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.966010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.966010 (E_RNA) where: Base-Base interactions energy: -30.097 where: short stacking energy: -20.044 Base-Backbone interact. energy: -0.008 local terms energy: -22.861145 where: bonds (distance) C4'-P energy: -4.606 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -3.590 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: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -40.408094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.408094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.408094 (E_RNA) where: Base-Base interactions energy: -16.790 where: short stacking energy: -16.790 Base-Backbone interact. energy: -0.095 local terms energy: -23.523357 where: bonds (distance) C4'-P energy: -1.161 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: -3.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -50.958208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.958208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.958208 (E_RNA) where: Base-Base interactions energy: -23.659 where: short stacking energy: -23.659 Base-Backbone interact. energy: -0.000 local terms energy: -27.298722 where: bonds (distance) C4'-P energy: -3.881 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -6.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -45.151701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.151701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.151701 (E_RNA) where: Base-Base interactions energy: -22.560 where: short stacking energy: -16.122 Base-Backbone interact. energy: -0.032 local terms energy: -22.559448 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -2.101 flat angles P-C4'-P energy: -5.859 tors. eta vs tors. theta energy: -2.847 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: 3 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -88.449354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.449354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.449354 (E_RNA) where: Base-Base interactions energy: -63.444 where: short stacking energy: -27.808 Base-Backbone interact. energy: -0.007 local terms energy: -24.998567 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -79.843998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.843998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.843998 (E_RNA) where: Base-Base interactions energy: -52.739 where: short stacking energy: -24.690 Base-Backbone interact. energy: -0.001 local terms energy: -27.103837 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.071 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -4.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -81.045375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.045375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.045375 (E_RNA) where: Base-Base interactions energy: -53.735 where: short stacking energy: -25.109 Base-Backbone interact. energy: -0.000 local terms energy: -27.310507 where: bonds (distance) C4'-P energy: -5.052 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -7.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -78.699151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.699151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.699151 (E_RNA) where: Base-Base interactions energy: -57.719 where: short stacking energy: -23.857 Base-Backbone interact. energy: -0.000 local terms energy: -20.979566 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -2.096 tors. eta vs tors. theta energy: -0.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -81.586975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.586975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.586975 (E_RNA) where: Base-Base interactions energy: -56.745 where: short stacking energy: -24.532 Base-Backbone interact. energy: -0.003 local terms energy: -24.838796 where: bonds (distance) C4'-P energy: -5.765 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -2.374 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: 6, replica: 10 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -49.952591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.952591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.952591 (E_RNA) where: Base-Base interactions energy: -27.955 where: short stacking energy: -13.643 Base-Backbone interact. energy: -0.005 local terms energy: -21.992473 where: bonds (distance) C4'-P energy: -6.278 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: 0.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -52.842297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.842297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.842297 (E_RNA) where: Base-Base interactions energy: -25.852 where: short stacking energy: -23.532 Base-Backbone interact. energy: -0.000 local terms energy: -26.990080 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -4.605 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: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -43.020712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.020712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.020712 (E_RNA) where: Base-Base interactions energy: -19.138 where: short stacking energy: -19.138 Base-Backbone interact. energy: -0.000 local terms energy: -23.882481 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -2.517 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -4.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -46.441360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.441360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.441360 (E_RNA) where: Base-Base interactions energy: -20.124 where: short stacking energy: -20.124 Base-Backbone interact. energy: -0.000 local terms energy: -26.317506 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -5.322 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: 6 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -37.864409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.864409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.864409 (E_RNA) where: Base-Base interactions energy: -15.153 where: short stacking energy: -15.153 Base-Backbone interact. energy: -0.125 local terms energy: -22.586081 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -1.660 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: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -85.785856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.785856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.785856 (E_RNA) where: Base-Base interactions energy: -62.309 where: short stacking energy: -25.552 Base-Backbone interact. energy: -0.007 local terms energy: -23.469984 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -5.992 flat angles C4'-P-C4' energy: -7.234 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -0.016 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: 8 Temperature: 0.950000 Total energy: -91.182921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.182921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.182921 (E_RNA) where: Base-Base interactions energy: -62.257 where: short stacking energy: -21.815 Base-Backbone interact. energy: -0.551 local terms energy: -28.374837 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -2.860 tors. eta vs tors. theta energy: -6.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -83.598081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.598081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.598081 (E_RNA) where: Base-Base interactions energy: -55.223 where: short stacking energy: -28.082 Base-Backbone interact. energy: -0.010 local terms energy: -28.364831 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.646 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -5.683 tors. eta vs tors. theta energy: -3.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -81.148271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.148271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.148271 (E_RNA) where: Base-Base interactions energy: -55.297 where: short stacking energy: -22.300 Base-Backbone interact. energy: -0.101 local terms energy: -25.750107 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -4.930 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -0.530 tors. eta vs tors. theta energy: -6.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -49.740067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.740067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.740067 (E_RNA) where: Base-Base interactions energy: -24.173 where: short stacking energy: -24.173 Base-Backbone interact. energy: -0.093 local terms energy: -25.474614 where: bonds (distance) C4'-P energy: -4.606 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -4.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -77.097120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.097120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.097120 (E_RNA) where: Base-Base interactions energy: -52.562 where: short stacking energy: -21.827 Base-Backbone interact. energy: -0.070 local terms energy: -24.465220 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -2.113 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -2.615 tors. eta vs tors. theta energy: -6.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -57.938926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.938926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.938926 (E_RNA) where: Base-Base interactions energy: -28.079 where: short stacking energy: -28.079 Base-Backbone interact. energy: -0.008 local terms energy: -29.852735 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -5.111 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: 8, replica: 9 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -55.937310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.937310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.937310 (E_RNA) where: Base-Base interactions energy: -33.397 where: short stacking energy: -15.420 Base-Backbone interact. energy: -0.000 local terms energy: -22.539661 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -2.387 tors. eta vs tors. theta energy: -2.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -41.926805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.926805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.926805 (E_RNA) where: Base-Base interactions energy: -17.196 where: short stacking energy: -12.575 Base-Backbone interact. energy: -0.008 local terms energy: -24.722819 where: bonds (distance) C4'-P energy: -4.599 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -2.312 tors. eta vs tors. theta energy: -4.765 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: 6 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -44.399090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.399090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.399090 (E_RNA) where: Base-Base interactions energy: -19.237 where: short stacking energy: -19.237 Base-Backbone interact. energy: -0.001 local terms energy: -25.161635 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -5.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -85.241473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.241473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.241473 (E_RNA) where: Base-Base interactions energy: -63.197 where: short stacking energy: -23.371 Base-Backbone interact. energy: -0.001 local terms energy: -22.043183 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: 1.092 tors. eta vs tors. theta energy: -3.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -88.288354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.288354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.288354 (E_RNA) where: Base-Base interactions energy: -61.236 where: short stacking energy: -23.968 Base-Backbone interact. energy: -0.001 local terms energy: -27.051357 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -0.958 tors. eta vs tors. theta energy: -5.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -75.221138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.221138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.221138 (E_RNA) where: Base-Base interactions energy: -50.424 where: short stacking energy: -21.865 Base-Backbone interact. energy: -0.000 local terms energy: -24.796622 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -1.356 tors. eta vs tors. theta energy: -3.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -81.358615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.358615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.358615 (E_RNA) where: Base-Base interactions energy: -54.593 where: short stacking energy: -23.912 Base-Backbone interact. energy: -0.002 local terms energy: -26.763873 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -2.640 tors. eta vs tors. theta energy: -5.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -55.633717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.633717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.633717 (E_RNA) where: Base-Base interactions energy: -27.572 where: short stacking energy: -27.572 Base-Backbone interact. energy: -0.061 local terms energy: -28.000367 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -6.685 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -5.736 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: 6, replica: 5 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -49.247622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.247622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.247622 (E_RNA) where: Base-Base interactions energy: -22.840 where: short stacking energy: -22.840 Base-Backbone interact. energy: -0.015 local terms energy: -26.393317 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -3.668 tors. eta vs tors. theta energy: -3.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -43.602937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.602937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.602937 (E_RNA) where: Base-Base interactions energy: -26.103 where: short stacking energy: -12.779 Base-Backbone interact. energy: -0.124 local terms energy: -17.376260 where: bonds (distance) C4'-P energy: -4.821 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -1.492 tors. eta vs tors. theta energy: 0.122 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: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -44.234172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.234172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.234172 (E_RNA) where: Base-Base interactions energy: -17.978 where: short stacking energy: -12.954 Base-Backbone interact. energy: -0.001 local terms energy: -26.255510 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -3.395 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -5.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -44.586825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.586825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.586825 (E_RNA) where: Base-Base interactions energy: -18.709 where: short stacking energy: -18.709 Base-Backbone interact. energy: -0.100 local terms energy: -25.777571 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: -3.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -42.921821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.921821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.921821 (E_RNA) where: Base-Base interactions energy: -19.304 where: short stacking energy: -19.304 Base-Backbone interact. energy: -0.000 local terms energy: -23.618090 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -5.946 flat angles C4'-P-C4' energy: -4.035 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -4.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -84.614849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.614849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.614849 (E_RNA) where: Base-Base interactions energy: -60.641 where: short stacking energy: -19.053 Base-Backbone interact. energy: -0.002 local terms energy: -23.971802 where: bonds (distance) C4'-P energy: -4.791 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -3.484 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: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -87.423078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.423078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.423078 (E_RNA) where: Base-Base interactions energy: -69.703 where: short stacking energy: -24.518 Base-Backbone interact. energy: -0.103 local terms energy: -17.616845 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -4.997 flat angles C4'-P-C4' energy: -1.280 flat angles P-C4'-P energy: -2.008 tors. eta vs tors. theta energy: -3.791 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: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -81.295228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.295228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.295228 (E_RNA) where: Base-Base interactions energy: -57.289 where: short stacking energy: -18.329 Base-Backbone interact. energy: -0.003 local terms energy: -24.003359 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -3.723 flat angles P-C4'-P energy: -1.341 tors. eta vs tors. theta energy: -4.322 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: 4 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -82.180394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.180394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.180394 (E_RNA) where: Base-Base interactions energy: -52.827 where: short stacking energy: -24.371 Base-Backbone interact. energy: -0.001 local terms energy: -29.352634 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -4.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -48.654438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.654438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.654438 (E_RNA) where: Base-Base interactions energy: -29.003 where: short stacking energy: -14.459 Base-Backbone interact. energy: -0.001 local terms energy: -19.650546 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -3.886 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -41.905656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.905656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.905656 (E_RNA) where: Base-Base interactions energy: -13.650 where: short stacking energy: -13.650 Base-Backbone interact. energy: -0.000 local terms energy: -28.255481 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.652 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -56.195238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.195238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.195238 (E_RNA) where: Base-Base interactions energy: -43.350 where: short stacking energy: -18.196 Base-Backbone interact. energy: -0.109 local terms energy: -12.736960 where: bonds (distance) C4'-P energy: -1.479 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -1.371 flat angles P-C4'-P energy: -1.680 tors. eta vs tors. theta energy: -1.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -41.531928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.531928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.531928 (E_RNA) where: Base-Base interactions energy: -19.075 where: short stacking energy: -19.075 Base-Backbone interact. energy: -0.000 local terms energy: -22.456483 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -1.269 flat angles P-C4'-P energy: -2.992 tors. eta vs tors. theta energy: -3.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -40.895719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.895719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.895719 (E_RNA) where: Base-Base interactions energy: -18.074 where: short stacking energy: -18.074 Base-Backbone interact. energy: -0.101 local terms energy: -22.720902 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -1.841 tors. eta vs tors. theta energy: -2.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -38.335350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.335350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.335350 (E_RNA) where: Base-Base interactions energy: -14.701 where: short stacking energy: -14.701 Base-Backbone interact. energy: -0.001 local terms energy: -23.632999 where: bonds (distance) C4'-P energy: -4.706 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -4.596 flat angles P-C4'-P energy: -3.543 tors. eta vs tors. theta energy: -3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -85.420686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.420686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.420686 (E_RNA) where: Base-Base interactions energy: -54.912 where: short stacking energy: -24.847 Base-Backbone interact. energy: -0.004 local terms energy: -30.503896 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: -6.008 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: 11 Temperature: 0.950000 Total energy: -88.757124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.757124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.757124 (E_RNA) where: Base-Base interactions energy: -63.955 where: short stacking energy: -23.839 Base-Backbone interact. energy: -0.008 local terms energy: -24.794173 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -4.734 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -5.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -88.882490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.882490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.882490 (E_RNA) where: Base-Base interactions energy: -63.552 where: short stacking energy: -22.593 Base-Backbone interact. energy: -0.402 local terms energy: -24.928528 where: bonds (distance) C4'-P energy: -6.084 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -1.168 tors. eta vs tors. theta energy: -5.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -63.885401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.885401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.885401 (E_RNA) where: Base-Base interactions energy: -33.801 where: short stacking energy: -19.946 Base-Backbone interact. energy: -0.002 local terms energy: -30.082811 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -5.172 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: 5, replica: 4 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -81.121325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.121325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.121325 (E_RNA) where: Base-Base interactions energy: -66.972 where: short stacking energy: -25.926 Base-Backbone interact. energy: -0.076 local terms energy: -14.072450 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -0.776 flat angles C4'-P-C4' energy: -4.277 flat angles P-C4'-P energy: -0.372 tors. eta vs tors. theta energy: -4.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -45.131912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.131912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.131912 (E_RNA) where: Base-Base interactions energy: -18.260 where: short stacking energy: -18.260 Base-Backbone interact. energy: -0.201 local terms energy: -26.670919 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: -3.347 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: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -48.434921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.434921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.434921 (E_RNA) where: Base-Base interactions energy: -33.725 where: short stacking energy: -12.003 Base-Backbone interact. energy: -0.100 local terms energy: -14.609887 where: bonds (distance) C4'-P energy: -4.597 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -0.909 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: -1.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -45.112172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.112172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.112172 (E_RNA) where: Base-Base interactions energy: -24.046 where: short stacking energy: -22.053 Base-Backbone interact. energy: 0.746 local terms energy: -21.812277 where: bonds (distance) C4'-P energy: -4.005 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -1.988 tors. eta vs tors. theta energy: -3.760 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: 9, replica: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -50.128813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.128813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.128813 (E_RNA) where: Base-Base interactions energy: -26.273 where: short stacking energy: -21.712 Base-Backbone interact. energy: -0.000 local terms energy: -23.855766 where: bonds (distance) C4'-P energy: -4.783 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -1.986 tors. eta vs tors. theta energy: -6.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -43.390727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.390727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.390727 (E_RNA) where: Base-Base interactions energy: -22.389 where: short stacking energy: -10.621 Base-Backbone interact. energy: -0.107 local terms energy: -20.894472 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -3.048 tors. eta vs tors. theta energy: 0.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -84.197167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.197167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.197167 (E_RNA) where: Base-Base interactions energy: -61.440 where: short stacking energy: -19.783 Base-Backbone interact. energy: -0.008 local terms energy: -22.748630 where: bonds (distance) C4'-P energy: -5.219 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -2.272 tors. eta vs tors. theta energy: -2.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -81.891784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.891784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.891784 (E_RNA) where: Base-Base interactions energy: -58.147 where: short stacking energy: -18.999 Base-Backbone interact. energy: -0.061 local terms energy: -23.684242 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.062 flat angles P-C4'-P energy: -2.445 tors. eta vs tors. theta energy: -4.330 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: 10 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -61.653999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.653999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.653999 (E_RNA) where: Base-Base interactions energy: -35.636 where: short stacking energy: -24.510 Base-Backbone interact. energy: -0.058 local terms energy: -25.960352 where: bonds (distance) C4'-P energy: -4.560 bonds (distance) P-C4' energy: -4.734 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -5.179 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: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -87.639888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.639888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.639888 (E_RNA) where: Base-Base interactions energy: -65.718 where: short stacking energy: -25.043 Base-Backbone interact. energy: -0.010 local terms energy: -21.912140 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.074 flat angles P-C4'-P energy: -0.503 tors. eta vs tors. theta energy: -3.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -75.790785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.790785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.790785 (E_RNA) where: Base-Base interactions energy: -52.149 where: short stacking energy: -19.382 Base-Backbone interact. energy: -0.009 local terms energy: -23.632848 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: -1.934 tors. eta vs tors. theta energy: -1.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -48.562218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.562218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.562218 (E_RNA) where: Base-Base interactions energy: -19.222 where: short stacking energy: -19.222 Base-Backbone interact. energy: -0.000 local terms energy: -29.340109 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -2.525 tors. eta vs tors. theta energy: -6.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -43.296607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.296607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.296607 (E_RNA) where: Base-Base interactions energy: -17.086 where: short stacking energy: -17.086 Base-Backbone interact. energy: -0.085 local terms energy: -26.125219 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -5.388 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -5.192 tors. eta vs tors. theta energy: -4.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -52.153182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.153182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.153182 (E_RNA) where: Base-Base interactions energy: -27.276 where: short stacking energy: -12.727 Base-Backbone interact. energy: -0.002 local terms energy: -24.874746 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -48.819975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.819975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.819975 (E_RNA) where: Base-Base interactions energy: -28.154 where: short stacking energy: -17.250 Base-Backbone interact. energy: -0.043 local terms energy: -20.622938 where: bonds (distance) C4'-P energy: -4.010 bonds (distance) P-C4' energy: -5.480 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -2.568 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: 8 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -40.429295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.429295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.429295 (E_RNA) where: Base-Base interactions energy: -24.282 where: short stacking energy: -10.890 Base-Backbone interact. energy: -0.036 local terms energy: -16.111192 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -2.248 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -0.927 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: 13 Temperature: 0.900000 Total energy: -88.691815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.691815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.691815 (E_RNA) where: Base-Base interactions energy: -64.125 where: short stacking energy: -26.049 Base-Backbone interact. energy: -0.000 local terms energy: -24.566716 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: 1.754 tors. eta vs tors. theta energy: -6.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -82.041560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.041560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.041560 (E_RNA) where: Base-Base interactions energy: -62.255 where: short stacking energy: -24.105 Base-Backbone interact. energy: -0.012 local terms energy: -19.774207 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -2.374 tors. eta vs tors. theta energy: -0.291 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: 3, replica: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -77.435164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.435164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.435164 (E_RNA) where: Base-Base interactions energy: -48.008 where: short stacking energy: -17.745 Base-Backbone interact. energy: -0.045 local terms energy: -29.381460 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -2.673 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: 4, replica: 4 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -80.452633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.452633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.452633 (E_RNA) where: Base-Base interactions energy: -54.629 where: short stacking energy: -19.226 Base-Backbone interact. energy: -0.003 local terms energy: -25.820827 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -2.663 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: 5, replica: 3 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -77.093833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.093833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.093833 (E_RNA) where: Base-Base interactions energy: -57.474 where: short stacking energy: -20.695 Base-Backbone interact. energy: 1.251 local terms energy: -20.870902 where: bonds (distance) C4'-P energy: -6.067 bonds (distance) P-C4' energy: -4.540 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -1.673 tors. eta vs tors. theta energy: -1.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -59.846032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.846032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.846032 (E_RNA) where: Base-Base interactions energy: -39.610 where: short stacking energy: -20.862 Base-Backbone interact. energy: -0.110 local terms energy: -20.125959 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -1.069 tors. eta vs tors. theta energy: -2.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -56.883637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.883637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.883637 (E_RNA) where: Base-Base interactions energy: -30.004 where: short stacking energy: -30.004 Base-Backbone interact. energy: -0.000 local terms energy: -26.879868 where: bonds (distance) C4'-P energy: -2.404 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -7.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -41.695161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.695161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.695161 (E_RNA) where: Base-Base interactions energy: -17.808 where: short stacking energy: -17.808 Base-Backbone interact. energy: 0.018 local terms energy: -23.905226 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -3.064 flat angles P-C4'-P energy: -5.104 tors. eta vs tors. theta energy: -1.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -39.849852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.849852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.849852 (E_RNA) where: Base-Base interactions energy: -14.523 where: short stacking energy: -14.523 Base-Backbone interact. energy: -0.022 local terms energy: -25.304755 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -40.802504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.802504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.802504 (E_RNA) where: Base-Base interactions energy: -18.623 where: short stacking energy: -18.623 Base-Backbone interact. energy: -0.014 local terms energy: -22.165766 where: bonds (distance) C4'-P energy: -3.346 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -89.212815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.212815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.212815 (E_RNA) where: Base-Base interactions energy: -62.904 where: short stacking energy: -23.443 Base-Backbone interact. energy: -0.065 local terms energy: -26.243249 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: 0.439 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: 2, replica: 10 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -84.725035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.725035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.725035 (E_RNA) where: Base-Base interactions energy: -60.307 where: short stacking energy: -25.438 Base-Backbone interact. energy: -0.000 local terms energy: -24.417989 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -3.014 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -79.666913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.666913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.666913 (E_RNA) where: Base-Base interactions energy: -52.041 where: short stacking energy: -19.711 Base-Backbone interact. energy: 0.033 local terms energy: -27.658887 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -5.455 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: -4.384 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: 14 Temperature: 1.050000 Total energy: -83.762972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.762972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.762972 (E_RNA) where: Base-Base interactions energy: -59.993 where: short stacking energy: -24.618 Base-Backbone interact. energy: -0.001 local terms energy: -23.768383 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.139 flat angles C4'-P-C4' energy: -4.431 flat angles P-C4'-P energy: -2.416 tors. eta vs tors. theta energy: -5.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -70.754443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.754443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.754443 (E_RNA) where: Base-Base interactions energy: -43.565 where: short stacking energy: -26.467 Base-Backbone interact. energy: -0.005 local terms energy: -27.184193 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -5.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -75.311860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.311860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.311860 (E_RNA) where: Base-Base interactions energy: -50.177 where: short stacking energy: -19.621 Base-Backbone interact. energy: -0.436 local terms energy: -24.699370 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -6.550 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -0.057 tors. eta vs tors. theta energy: -5.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -41.596086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.596086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.596086 (E_RNA) where: Base-Base interactions energy: -19.750 where: short stacking energy: -19.750 Base-Backbone interact. energy: -0.000 local terms energy: -21.846096 where: bonds (distance) C4'-P energy: -2.379 bonds (distance) P-C4' energy: -5.087 flat angles C4'-P-C4' energy: -7.273 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -4.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -51.595297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.595297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.595297 (E_RNA) where: Base-Base interactions energy: -23.936 where: short stacking energy: -23.936 Base-Backbone interact. energy: -0.067 local terms energy: -27.592292 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -6.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -40.008123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.008123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.008123 (E_RNA) where: Base-Base interactions energy: -13.264 where: short stacking energy: -13.264 Base-Backbone interact. energy: -0.000 local terms energy: -26.744044 where: bonds (distance) C4'-P energy: -4.296 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -47.077448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.077448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.077448 (E_RNA) where: Base-Base interactions energy: -29.391 where: short stacking energy: -12.882 Base-Backbone interact. energy: -0.002 local terms energy: -17.684394 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -1.438 flat angles P-C4'-P energy: 1.266 tors. eta vs tors. theta energy: -4.112 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: 1, replica: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -82.693205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.693205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.693205 (E_RNA) where: Base-Base interactions energy: -54.015 where: short stacking energy: -24.849 Base-Backbone interact. energy: -0.006 local terms energy: -28.672104 where: bonds (distance) C4'-P energy: -5.185 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -91.048651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.048651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.048651 (E_RNA) where: Base-Base interactions energy: -68.381 where: short stacking energy: -27.007 Base-Backbone interact. energy: -1.145 local terms energy: -21.522945 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -4.298 flat angles P-C4'-P energy: -1.493 tors. eta vs tors. theta energy: -3.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -81.660057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.660057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.660057 (E_RNA) where: Base-Base interactions energy: -54.854 where: short stacking energy: -21.390 Base-Backbone interact. energy: -0.001 local terms energy: -26.804732 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -3.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -78.910703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.910703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.910703 (E_RNA) where: Base-Base interactions energy: -53.646 where: short stacking energy: -23.650 Base-Backbone interact. energy: -0.000 local terms energy: -25.264658 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -1.822 tors. eta vs tors. theta energy: -5.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -48.345153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.345153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.345153 (E_RNA) where: Base-Base interactions energy: -24.409 where: short stacking energy: -20.310 Base-Backbone interact. energy: -0.018 local terms energy: -23.918524 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -3.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -76.694703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.694703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.694703 (E_RNA) where: Base-Base interactions energy: -56.543 where: short stacking energy: -19.053 Base-Backbone interact. energy: -0.002 local terms energy: -20.149842 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -6.332 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: 2.384 tors. eta vs tors. theta energy: -2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -46.201479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.201479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.201479 (E_RNA) where: Base-Base interactions energy: -24.808 where: short stacking energy: -24.808 Base-Backbone interact. energy: -0.000 local terms energy: -21.393827 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -3.681 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -1.476 tors. eta vs tors. theta energy: -3.856 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: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -40.556635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.556635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.556635 (E_RNA) where: Base-Base interactions energy: -15.761 where: short stacking energy: -15.761 Base-Backbone interact. energy: -0.090 local terms energy: -24.705825 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -1.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -36.141967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.141967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.141967 (E_RNA) where: Base-Base interactions energy: -13.526 where: short stacking energy: -13.526 Base-Backbone interact. energy: -0.018 local terms energy: -22.597699 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -1.456 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: 5 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -42.292205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.292205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.292205 (E_RNA) where: Base-Base interactions energy: -14.780 where: short stacking energy: -12.351 Base-Backbone interact. energy: -0.000 local terms energy: -27.511557 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -3.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -91.729212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.729212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.729212 (E_RNA) where: Base-Base interactions energy: -67.888 where: short stacking energy: -26.022 Base-Backbone interact. energy: -1.262 local terms energy: -22.579747 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: 0.476 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -95.921872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.921872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.921872 (E_RNA) where: Base-Base interactions energy: -72.765 where: short stacking energy: -27.704 Base-Backbone interact. energy: -0.002 local terms energy: -23.154853 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: 1.634 tors. eta vs tors. theta energy: -3.389 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: 16 Temperature: 1.000000 Total energy: -87.659922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.659922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.659922 (E_RNA) where: Base-Base interactions energy: -64.510 where: short stacking energy: -22.272 Base-Backbone interact. energy: -0.014 local terms energy: -23.136682 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: 3.079 tors. eta vs tors. theta energy: -6.745 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: 4 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -80.690248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.690248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.690248 (E_RNA) where: Base-Base interactions energy: -58.563 where: short stacking energy: -20.544 Base-Backbone interact. energy: -0.092 local terms energy: -22.035158 where: bonds (distance) C4'-P energy: -4.241 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -2.398 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -3.925 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: 3 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -86.802365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.802365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.802365 (E_RNA) where: Base-Base interactions energy: -64.263 where: short stacking energy: -24.816 Base-Backbone interact. energy: -0.033 local terms energy: -22.506261 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: 0.576 tors. eta vs tors. theta energy: -4.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -62.088108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.088108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.088108 (E_RNA) where: Base-Base interactions energy: -31.495 where: short stacking energy: -28.153 Base-Backbone interact. energy: -0.068 local terms energy: -30.525088 where: bonds (distance) C4'-P energy: -4.758 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -5.296 tors. eta vs tors. theta energy: -6.308 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: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -44.403779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.403779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.403779 (E_RNA) where: Base-Base interactions energy: -22.811 where: short stacking energy: -17.621 Base-Backbone interact. energy: -0.097 local terms energy: -21.495450 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -2.981 flat angles P-C4'-P energy: -5.589 tors. eta vs tors. theta energy: -0.583 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: 8, replica: 6 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -45.695063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.695063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.695063 (E_RNA) where: Base-Base interactions energy: -21.939 where: short stacking energy: -21.939 Base-Backbone interact. energy: -0.012 local terms energy: -23.743974 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -1.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -40.948512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.948512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.948512 (E_RNA) where: Base-Base interactions energy: -16.223 where: short stacking energy: -14.926 Base-Backbone interact. energy: -0.070 local terms energy: -24.655744 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -3.742 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: 10, replica: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -48.452305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.452305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.452305 (E_RNA) where: Base-Base interactions energy: -23.728 where: short stacking energy: -23.728 Base-Backbone interact. energy: -0.001 local terms energy: -24.723630 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -3.512 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -83.500307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.500307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.500307 (E_RNA) where: Base-Base interactions energy: -56.834 where: short stacking energy: -23.752 Base-Backbone interact. energy: -0.260 local terms energy: -26.406668 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -3.478 tors. eta vs tors. theta energy: -5.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -94.438321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.438321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.438321 (E_RNA) where: Base-Base interactions energy: -70.284 where: short stacking energy: -25.094 Base-Backbone interact. energy: -0.002 local terms energy: -24.152654 where: bonds (distance) C4'-P energy: -5.111 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: 1.305 tors. eta vs tors. theta energy: -5.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -83.145507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.145507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.145507 (E_RNA) where: Base-Base interactions energy: -58.796 where: short stacking energy: -16.869 Base-Backbone interact. energy: -0.006 local terms energy: -24.343742 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -1.934 tors. eta vs tors. theta energy: -5.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -83.012540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.012540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.012540 (E_RNA) where: Base-Base interactions energy: -55.365 where: short stacking energy: -21.954 Base-Backbone interact. energy: -0.126 local terms energy: -27.521541 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -83.910731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.910731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.910731 (E_RNA) where: Base-Base interactions energy: -57.705 where: short stacking energy: -19.625 Base-Backbone interact. energy: -0.000 local terms energy: -26.205878 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -1.707 tors. eta vs tors. theta energy: -4.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -47.669508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.669508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.669508 (E_RNA) where: Base-Base interactions energy: -21.439 where: short stacking energy: -21.439 Base-Backbone interact. energy: -0.069 local terms energy: -26.161519 where: bonds (distance) C4'-P energy: -5.843 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -5.327 tors. eta vs tors. theta energy: -4.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -47.578091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.578091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.578091 (E_RNA) where: Base-Base interactions energy: -29.346 where: short stacking energy: -13.921 Base-Backbone interact. energy: -0.360 local terms energy: -17.872229 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -2.476 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -2.899 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: 8, replica: 5 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -40.516668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.516668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.516668 (E_RNA) where: Base-Base interactions energy: -17.430 where: short stacking energy: -12.698 Base-Backbone interact. energy: -1.394 local terms energy: -21.692547 where: bonds (distance) C4'-P energy: -4.333 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -0.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -46.543061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.543061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.543061 (E_RNA) where: Base-Base interactions energy: -17.111 where: short stacking energy: -17.111 Base-Backbone interact. energy: -0.002 local terms energy: -29.430697 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.930 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: -3.834 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: 10, replica: 7 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -40.667302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.667302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.667302 (E_RNA) where: Base-Base interactions energy: -18.388 where: short stacking energy: -4.999 Base-Backbone interact. energy: -0.106 local terms energy: -22.173328 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.754 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: 0.200 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: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -94.277280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.277280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.277280 (E_RNA) where: Base-Base interactions energy: -73.017 where: short stacking energy: -27.420 Base-Backbone interact. energy: -0.009 local terms energy: -21.250888 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: 1.574 tors. eta vs tors. theta energy: -3.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -86.496694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.496694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.496694 (E_RNA) where: Base-Base interactions energy: -62.651 where: short stacking energy: -23.481 Base-Backbone interact. energy: -0.229 local terms energy: -23.616787 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: 1.499 tors. eta vs tors. theta energy: -5.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -82.578831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.578831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.578831 (E_RNA) where: Base-Base interactions energy: -59.713 where: short stacking energy: -24.160 Base-Backbone interact. energy: -0.006 local terms energy: -22.859993 where: bonds (distance) C4'-P energy: -5.901 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -1.799 tors. eta vs tors. theta energy: -3.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -85.112476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.112476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.112476 (E_RNA) where: Base-Base interactions energy: -59.533 where: short stacking energy: -20.624 Base-Backbone interact. energy: -0.010 local terms energy: -25.568996 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.702 flat angles P-C4'-P energy: -2.605 tors. eta vs tors. theta energy: -6.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -86.746448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.746448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.746448 (E_RNA) where: Base-Base interactions energy: -65.027 where: short stacking energy: -23.193 Base-Backbone interact. energy: -0.004 local terms energy: -21.715712 where: bonds (distance) C4'-P energy: -4.822 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: 1.859 tors. eta vs tors. theta energy: -4.650 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: 9 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -41.669763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.669763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.669763 (E_RNA) where: Base-Base interactions energy: -15.026 where: short stacking energy: -15.026 Base-Backbone interact. energy: -0.002 local terms energy: -26.642008 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: -1.921 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: 5 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -45.215013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.215013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.215013 (E_RNA) where: Base-Base interactions energy: -19.831 where: short stacking energy: -19.831 Base-Backbone interact. energy: -0.089 local terms energy: -25.294529 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: -3.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -45.064112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.064112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.064112 (E_RNA) where: Base-Base interactions energy: -22.936 where: short stacking energy: -22.936 Base-Backbone interact. energy: -0.000 local terms energy: -22.127720 where: bonds (distance) C4'-P energy: -0.888 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -2.509 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: 9, replica: 7 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -39.255304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.255304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.255304 (E_RNA) where: Base-Base interactions energy: -18.092 where: short stacking energy: -18.092 Base-Backbone interact. energy: -0.000 local terms energy: -21.163547 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -2.692 flat angles P-C4'-P energy: -2.245 tors. eta vs tors. theta energy: -4.196 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: 10, replica: 6 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -35.798470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.798470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.798470 (E_RNA) where: Base-Base interactions energy: -14.717 where: short stacking energy: -14.717 Base-Backbone interact. energy: -0.000 local terms energy: -21.081301 where: bonds (distance) C4'-P energy: -2.665 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -3.745 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: 1, replica: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -96.859690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.859690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.859690 (E_RNA) where: Base-Base interactions energy: -71.895 where: short stacking energy: -27.040 Base-Backbone interact. energy: -0.005 local terms energy: -24.959295 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: 1.081 tors. eta vs tors. theta energy: -6.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -88.219364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.219364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.219364 (E_RNA) where: Base-Base interactions energy: -69.126 where: short stacking energy: -26.819 Base-Backbone interact. energy: -0.002 local terms energy: -19.090773 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: 0.754 tors. eta vs tors. theta energy: -1.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -80.916171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.916171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.916171 (E_RNA) where: Base-Base interactions energy: -53.954 where: short stacking energy: -22.606 Base-Backbone interact. energy: -0.003 local terms energy: -26.959593 where: bonds (distance) C4'-P energy: -4.924 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -3.102 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: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -85.006980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.006980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.006980 (E_RNA) where: Base-Base interactions energy: -60.004 where: short stacking energy: -24.299 Base-Backbone interact. energy: -0.000 local terms energy: -25.002855 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.527 flat angles P-C4'-P energy: -0.542 tors. eta vs tors. theta energy: -4.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -52.474315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.474315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.474315 (E_RNA) where: Base-Base interactions energy: -24.305 where: short stacking energy: -24.305 Base-Backbone interact. energy: -0.001 local terms energy: -28.168375 where: bonds (distance) C4'-P energy: -3.338 bonds (distance) P-C4' energy: -6.010 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -7.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -48.181487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.181487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.181487 (E_RNA) where: Base-Base interactions energy: -20.935 where: short stacking energy: -18.340 Base-Backbone interact. energy: -0.056 local terms energy: -27.190262 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -3.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -45.980598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.980598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.980598 (E_RNA) where: Base-Base interactions energy: -20.273 where: short stacking energy: -20.376 Base-Backbone interact. energy: -0.163 local terms energy: -25.543966 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.906 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -69.945776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.945776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.945776 (E_RNA) where: Base-Base interactions energy: -50.597 where: short stacking energy: -21.866 Base-Backbone interact. energy: -0.000 local terms energy: -19.348460 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: 0.149 tors. eta vs tors. theta energy: -3.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -39.737688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.737688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.737688 (E_RNA) where: Base-Base interactions energy: -16.840 where: short stacking energy: -16.840 Base-Backbone interact. energy: -0.007 local terms energy: -22.890059 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.022 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -1.325 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: 6 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -44.648848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.648848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.648848 (E_RNA) where: Base-Base interactions energy: -19.299 where: short stacking energy: -19.299 Base-Backbone interact. energy: -0.026 local terms energy: -25.323800 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.546 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -94.891160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.891160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.891160 (E_RNA) where: Base-Base interactions energy: -69.788 where: short stacking energy: -26.469 Base-Backbone interact. energy: -0.041 local terms energy: -25.061775 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -0.304 tors. eta vs tors. theta energy: -7.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -88.327334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.327334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.327334 (E_RNA) where: Base-Base interactions energy: -63.918 where: short stacking energy: -22.691 Base-Backbone interact. energy: -0.609 local terms energy: -23.800141 where: bonds (distance) C4'-P energy: -5.164 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -1.106 tors. eta vs tors. theta energy: -6.634 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: 4 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -78.896374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.896374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.896374 (E_RNA) where: Base-Base interactions energy: -52.536 where: short stacking energy: -21.874 Base-Backbone interact. energy: -0.006 local terms energy: -26.354753 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -2.455 tors. eta vs tors. theta energy: -4.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -83.079263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.079263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.079263 (E_RNA) where: Base-Base interactions energy: -54.631 where: short stacking energy: -21.087 Base-Backbone interact. energy: -0.006 local terms energy: -28.442030 where: bonds (distance) C4'-P energy: -6.373 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -5.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -58.101175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.101175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.101175 (E_RNA) where: Base-Base interactions energy: -27.221 where: short stacking energy: -27.221 Base-Backbone interact. energy: -0.000 local terms energy: -30.880236 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -7.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -47.989352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.989352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.989352 (E_RNA) where: Base-Base interactions energy: -22.154 where: short stacking energy: -22.154 Base-Backbone interact. energy: 0.360 local terms energy: -26.194820 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -6.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -82.887719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.887719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.887719 (E_RNA) where: Base-Base interactions energy: -53.304 where: short stacking energy: -23.354 Base-Backbone interact. energy: -0.001 local terms energy: -29.582902 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.778 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -5.807 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: 5 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -44.384990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.384990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.384990 (E_RNA) where: Base-Base interactions energy: -20.302 where: short stacking energy: -20.046 Base-Backbone interact. energy: 0.425 local terms energy: -24.507371 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.022 flat angles C4'-P-C4' energy: -4.705 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: -4.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -48.031535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.031535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.031535 (E_RNA) where: Base-Base interactions energy: -21.653 where: short stacking energy: -21.653 Base-Backbone interact. energy: -0.000 local terms energy: -26.377985 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -2.648 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: 8 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -40.793186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.793186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.793186 (E_RNA) where: Base-Base interactions energy: -16.367 where: short stacking energy: -16.367 Base-Backbone interact. energy: -0.000 local terms energy: -24.425988 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -4.597 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -5.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -95.208240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.208240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.208240 (E_RNA) where: Base-Base interactions energy: -72.795 where: short stacking energy: -26.864 Base-Backbone interact. energy: -0.004 local terms energy: -22.409290 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: 1.665 tors. eta vs tors. theta energy: -6.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -82.557573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.557573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.557573 (E_RNA) where: Base-Base interactions energy: -57.531 where: short stacking energy: -22.837 Base-Backbone interact. energy: 0.440 local terms energy: -25.466580 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -3.918 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -2.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -80.412731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.412731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.412731 (E_RNA) where: Base-Base interactions energy: -54.582 where: short stacking energy: -19.287 Base-Backbone interact. energy: -0.003 local terms energy: -25.827795 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -4.079 tors. eta vs tors. theta energy: -3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -79.263014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.263014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.263014 (E_RNA) where: Base-Base interactions energy: -50.323 where: short stacking energy: -22.040 Base-Backbone interact. energy: -0.002 local terms energy: -28.937515 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -3.843 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -4.999 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: 21 Temperature: 1.100000 Total energy: -58.515436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.515436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.515436 (E_RNA) where: Base-Base interactions energy: -28.703 where: short stacking energy: -28.703 Base-Backbone interact. energy: -0.000 local terms energy: -29.811962 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -7.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -84.601304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.601304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.601304 (E_RNA) where: Base-Base interactions energy: -61.573 where: short stacking energy: -26.055 Base-Backbone interact. energy: -0.002 local terms energy: -23.026414 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -1.139 tors. eta vs tors. theta energy: -2.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -43.452093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.452093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.452093 (E_RNA) where: Base-Base interactions energy: -19.395 where: short stacking energy: -19.395 Base-Backbone interact. energy: -0.040 local terms energy: -24.017260 where: bonds (distance) C4'-P energy: -5.388 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -3.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -44.332600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.332600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.332600 (E_RNA) where: Base-Base interactions energy: -17.541 where: short stacking energy: -17.541 Base-Backbone interact. energy: -0.000 local terms energy: -26.791513 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -5.434 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -4.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -48.381518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.381518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.381518 (E_RNA) where: Base-Base interactions energy: -22.358 where: short stacking energy: -15.605 Base-Backbone interact. energy: -0.303 local terms energy: -25.720329 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -3.626 tors. eta vs tors. theta energy: -2.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -38.946720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.946720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.946720 (E_RNA) where: Base-Base interactions energy: -16.728 where: short stacking energy: -15.395 Base-Backbone interact. energy: -0.001 local terms energy: -22.217807 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -2.395 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -2.232 tors. eta vs tors. theta energy: -3.898 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: 4 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -83.119828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.119828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.119828 (E_RNA) where: Base-Base interactions energy: -56.080 where: short stacking energy: -24.164 Base-Backbone interact. energy: -0.003 local terms energy: -27.036578 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -6.798 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: 22 Temperature: 0.950000 Total energy: -91.878937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.878937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.878937 (E_RNA) where: Base-Base interactions energy: -67.604 where: short stacking energy: -25.352 Base-Backbone interact. energy: -0.000 local terms energy: -24.274280 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: 1.146 tors. eta vs tors. theta energy: -4.673 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: 10 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -84.903801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.903801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.903801 (E_RNA) where: Base-Base interactions energy: -60.912 where: short stacking energy: -23.575 Base-Backbone interact. energy: -0.004 local terms energy: -23.988184 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -0.279 tors. eta vs tors. theta energy: -3.809 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: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -81.741256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.741256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.741256 (E_RNA) where: Base-Base interactions energy: -59.582 where: short stacking energy: -24.191 Base-Backbone interact. energy: -0.043 local terms energy: -22.115938 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.124 flat angles P-C4'-P energy: 1.484 tors. eta vs tors. theta energy: -4.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -82.212939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.212939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.212939 (E_RNA) where: Base-Base interactions energy: -58.201 where: short stacking energy: -20.778 Base-Backbone interact. energy: -0.027 local terms energy: -23.984120 where: bonds (distance) C4'-P energy: -4.930 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: 0.756 tors. eta vs tors. theta energy: -7.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -49.837703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.837703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.837703 (E_RNA) where: Base-Base interactions energy: -24.703 where: short stacking energy: -11.609 Base-Backbone interact. energy: -0.012 local terms energy: -25.122287 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.349 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -2.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -47.260404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.260404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.260404 (E_RNA) where: Base-Base interactions energy: -23.162 where: short stacking energy: -16.942 Base-Backbone interact. energy: -0.005 local terms energy: -24.093328 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -2.497 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -44.797287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.797287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.797287 (E_RNA) where: Base-Base interactions energy: -19.717 where: short stacking energy: -19.717 Base-Backbone interact. energy: -0.000 local terms energy: -25.080264 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -4.498 tors. eta vs tors. theta energy: -3.187 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: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -38.709524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.709524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.709524 (E_RNA) where: Base-Base interactions energy: -14.878 where: short stacking energy: -14.878 Base-Backbone interact. energy: -0.004 local terms energy: -23.828068 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -1.269 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: 5 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -37.064335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.064335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.064335 (E_RNA) where: Base-Base interactions energy: -13.683 where: short stacking energy: -13.683 Base-Backbone interact. energy: -0.034 local terms energy: -23.347354 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -2.404 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -4.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -89.245050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.245050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.245050 (E_RNA) where: Base-Base interactions energy: -64.347 where: short stacking energy: -21.369 Base-Backbone interact. energy: -0.037 local terms energy: -24.860578 where: bonds (distance) C4'-P energy: -5.884 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: 0.117 tors. eta vs tors. theta energy: -5.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -87.481541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.481541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.481541 (E_RNA) where: Base-Base interactions energy: -61.183 where: short stacking energy: -25.005 Base-Backbone interact. energy: -0.000 local terms energy: -26.298697 where: bonds (distance) C4'-P energy: -5.889 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -0.925 tors. eta vs tors. theta energy: -5.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -89.378739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.378739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.378739 (E_RNA) where: Base-Base interactions energy: -66.758 where: short stacking energy: -24.014 Base-Backbone interact. energy: -0.193 local terms energy: -22.428094 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: 0.895 tors. eta vs tors. theta energy: -4.315 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: 4, replica: 7 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -79.103172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.103172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.103172 (E_RNA) where: Base-Base interactions energy: -57.606 where: short stacking energy: -24.777 Base-Backbone interact. energy: -0.000 local terms energy: -21.496932 where: bonds (distance) C4'-P energy: -7.425 bonds (distance) P-C4' energy: -7.023 flat angles C4'-P-C4' energy: -2.154 flat angles P-C4'-P energy: -2.257 tors. eta vs tors. theta energy: -2.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -79.696308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.696308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.696308 (E_RNA) where: Base-Base interactions energy: -56.975 where: short stacking energy: -21.417 Base-Backbone interact. energy: -0.029 local terms energy: -22.692061 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -0.607 tors. eta vs tors. theta energy: -3.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -45.427056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.427056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.427056 (E_RNA) where: Base-Base interactions energy: -23.640 where: short stacking energy: -22.735 Base-Backbone interact. energy: -0.001 local terms energy: -21.786184 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -3.174 flat angles C4'-P-C4' energy: -6.454 flat angles P-C4'-P energy: -2.584 tors. eta vs tors. theta energy: -4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -54.383697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.383697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.383697 (E_RNA) where: Base-Base interactions energy: -32.671 where: short stacking energy: -15.926 Base-Backbone interact. energy: -0.103 local terms energy: -21.608964 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -1.187 flat angles P-C4'-P energy: -3.246 tors. eta vs tors. theta energy: -3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -76.853537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.853537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.853537 (E_RNA) where: Base-Base interactions energy: -51.002 where: short stacking energy: -22.463 Base-Backbone interact. energy: -0.002 local terms energy: -25.849949 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -3.031 tors. eta vs tors. theta energy: -4.771 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: 3 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -38.235178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.235178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.235178 (E_RNA) where: Base-Base interactions energy: -17.962 where: short stacking energy: -17.962 Base-Backbone interact. energy: -0.002 local terms energy: -20.271520 where: bonds (distance) C4'-P energy: -4.548 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -1.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -41.331068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.331068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.331068 (E_RNA) where: Base-Base interactions energy: -13.574 where: short stacking energy: -8.771 Base-Backbone interact. energy: -0.656 local terms energy: -27.100318 where: bonds (distance) C4'-P energy: -4.900 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -3.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -95.087380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.087380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.087380 (E_RNA) where: Base-Base interactions energy: -71.329 where: short stacking energy: -27.216 Base-Backbone interact. energy: -1.132 local terms energy: -22.626562 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -5.848 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: 0.023 tors. eta vs tors. theta energy: -3.707 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: 10 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -88.059488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.059488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.059488 (E_RNA) where: Base-Base interactions energy: -60.089 where: short stacking energy: -24.242 Base-Backbone interact. energy: -0.002 local terms energy: -27.968105 where: bonds (distance) C4'-P energy: -7.131 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -5.367 tors. eta vs tors. theta energy: -4.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -85.012998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.012998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.012998 (E_RNA) where: Base-Base interactions energy: -65.102 where: short stacking energy: -20.494 Base-Backbone interact. energy: -0.021 local terms energy: -19.889353 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -3.439 flat angles P-C4'-P energy: 1.663 tors. eta vs tors. theta energy: -6.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -82.480062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.480062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.480062 (E_RNA) where: Base-Base interactions energy: -60.725 where: short stacking energy: -20.131 Base-Backbone interact. energy: 0.677 local terms energy: -22.432347 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -2.466 tors. eta vs tors. theta energy: -5.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -76.540813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.540813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.540813 (E_RNA) where: Base-Base interactions energy: -49.731 where: short stacking energy: -19.240 Base-Backbone interact. energy: -0.014 local terms energy: -26.795888 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -2.905 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: 6 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -45.809692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.809692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.809692 (E_RNA) where: Base-Base interactions energy: -21.103 where: short stacking energy: -21.103 Base-Backbone interact. energy: -0.070 local terms energy: -24.636374 where: bonds (distance) C4'-P energy: -5.314 bonds (distance) P-C4' energy: -6.057 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -2.632 tors. eta vs tors. theta energy: -4.129 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: 8 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -76.698033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.698033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.698033 (E_RNA) where: Base-Base interactions energy: -52.032 where: short stacking energy: -24.581 Base-Backbone interact. energy: -0.000 local terms energy: -24.666290 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -3.856 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -3.194 tors. eta vs tors. theta energy: -5.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -44.560906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.560906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.560906 (E_RNA) where: Base-Base interactions energy: -19.687 where: short stacking energy: -19.687 Base-Backbone interact. energy: -0.095 local terms energy: -24.779342 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -2.611 tors. eta vs tors. theta energy: -4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -42.807477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.807477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.807477 (E_RNA) where: Base-Base interactions energy: -16.008 where: short stacking energy: -16.008 Base-Backbone interact. energy: -0.000 local terms energy: -26.799462 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -5.715 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -1.605 tors. eta vs tors. theta energy: -5.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -36.403675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.403675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.403675 (E_RNA) where: Base-Base interactions energy: -15.162 where: short stacking energy: -7.594 Base-Backbone interact. energy: -0.110 local terms energy: -21.132162 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: 0.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -94.454458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.454458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.454458 (E_RNA) where: Base-Base interactions energy: -71.103 where: short stacking energy: -24.016 Base-Backbone interact. energy: -0.003 local terms energy: -23.348781 where: bonds (distance) C4'-P energy: -6.113 bonds (distance) P-C4' energy: -5.731 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: 0.290 tors. eta vs tors. theta energy: -4.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -80.060210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.060210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.060210 (E_RNA) where: Base-Base interactions energy: -58.379 where: short stacking energy: -25.831 Base-Backbone interact. energy: -0.003 local terms energy: -21.678216 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -5.793 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -1.343 tors. eta vs tors. theta energy: -3.942 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: 25 Temperature: 1.000000 Total energy: -83.500969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.500969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.500969 (E_RNA) where: Base-Base interactions energy: -60.211 where: short stacking energy: -22.513 Base-Backbone interact. energy: -0.015 local terms energy: -23.275676 where: bonds (distance) C4'-P energy: -3.677 bonds (distance) P-C4' energy: -5.842 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -2.439 tors. eta vs tors. theta energy: -5.849 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: 4, replica: 1 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -78.192302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.192302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.192302 (E_RNA) where: Base-Base interactions energy: -51.192 where: short stacking energy: -18.866 Base-Backbone interact. energy: -0.006 local terms energy: -26.994202 where: bonds (distance) C4'-P energy: -5.222 bonds (distance) P-C4' energy: -5.421 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -5.669 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: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -80.945833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.945833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.945833 (E_RNA) where: Base-Base interactions energy: -61.094 where: short stacking energy: -21.155 Base-Backbone interact. energy: -0.000 local terms energy: -19.852035 where: bonds (distance) C4'-P energy: -5.103 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -0.220 tors. eta vs tors. theta energy: -2.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -73.720752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.720752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.720752 (E_RNA) where: Base-Base interactions energy: -46.610 where: short stacking energy: -18.196 Base-Backbone interact. energy: -0.014 local terms energy: -27.096961 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -4.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -45.730888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.730888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.730888 (E_RNA) where: Base-Base interactions energy: -23.942 where: short stacking energy: -17.972 Base-Backbone interact. energy: -0.002 local terms energy: -21.786919 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -2.779 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -40.943249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.943249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.943249 (E_RNA) where: Base-Base interactions energy: -13.135 where: short stacking energy: -13.135 Base-Backbone interact. energy: 0.302 local terms energy: -28.109886 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: -2.039 tors. eta vs tors. theta energy: -6.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -43.409299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.409299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.409299 (E_RNA) where: Base-Base interactions energy: -21.704 where: short stacking energy: -21.212 Base-Backbone interact. energy: -0.041 local terms energy: -21.664360 where: bonds (distance) C4'-P energy: -4.862 bonds (distance) P-C4' energy: -5.219 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: -1.962 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: 10, replica: 3 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -46.770667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.770667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.770667 (E_RNA) where: Base-Base interactions energy: -19.527 where: short stacking energy: -19.527 Base-Backbone interact. energy: -0.000 local terms energy: -27.243348 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.330 flat angles P-C4'-P energy: -4.192 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: 1, replica: 4 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -95.974984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.974984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.974984 (E_RNA) where: Base-Base interactions energy: -72.854 where: short stacking energy: -27.547 Base-Backbone interact. energy: -0.011 local terms energy: -23.109514 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: 0.554 tors. eta vs tors. theta energy: -4.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -82.304213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.304213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.304213 (E_RNA) where: Base-Base interactions energy: -55.194 where: short stacking energy: -24.239 Base-Backbone interact. energy: -0.001 local terms energy: -27.108643 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -3.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -82.462007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.462007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.462007 (E_RNA) where: Base-Base interactions energy: -56.747 where: short stacking energy: -22.722 Base-Backbone interact. energy: -0.000 local terms energy: -25.715187 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -3.103 tors. eta vs tors. theta energy: -3.976 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: 26 Temperature: 1.050000 Total energy: -87.076808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.076808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.076808 (E_RNA) where: Base-Base interactions energy: -68.228 where: short stacking energy: -27.723 Base-Backbone interact. energy: -0.003 local terms energy: -18.845235 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: 0.077 tors. eta vs tors. theta energy: -2.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -76.199433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.199433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.199433 (E_RNA) where: Base-Base interactions energy: -47.898 where: short stacking energy: -21.555 Base-Backbone interact. energy: -0.004 local terms energy: -28.297013 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -3.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -77.947702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.947702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.947702 (E_RNA) where: Base-Base interactions energy: -48.445 where: short stacking energy: -22.850 Base-Backbone interact. energy: -0.021 local terms energy: -29.481456 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -6.046 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: 5 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -47.615556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.615556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.615556 (E_RNA) where: Base-Base interactions energy: -21.903 where: short stacking energy: -15.367 Base-Backbone interact. energy: -0.000 local terms energy: -25.712644 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -3.726 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: 8, replica: 6 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -43.777686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.777686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.777686 (E_RNA) where: Base-Base interactions energy: -28.127 where: short stacking energy: -28.127 Base-Backbone interact. energy: -0.002 local terms energy: -15.649100 where: bonds (distance) C4'-P energy: -4.614 bonds (distance) P-C4' energy: -4.955 flat angles C4'-P-C4' energy: -3.056 flat angles P-C4'-P energy: 0.890 tors. eta vs tors. theta energy: -3.914 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: 3 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -44.079954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.079954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.079954 (E_RNA) where: Base-Base interactions energy: -17.849 where: short stacking energy: -17.849 Base-Backbone interact. energy: -0.001 local terms energy: -26.229998 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -38.021317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.021317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.021317 (E_RNA) where: Base-Base interactions energy: -14.325 where: short stacking energy: -14.325 Base-Backbone interact. energy: -0.029 local terms energy: -23.667254 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -4.042 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -3.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -96.242673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.242673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.242673 (E_RNA) where: Base-Base interactions energy: -72.396 where: short stacking energy: -28.979 Base-Backbone interact. energy: -0.001 local terms energy: -23.845901 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: 3.205 tors. eta vs tors. theta energy: -6.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -81.800987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.800987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.800987 (E_RNA) where: Base-Base interactions energy: -56.530 where: short stacking energy: -24.297 Base-Backbone interact. energy: -0.000 local terms energy: -25.270805 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -3.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -83.487112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.487112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.487112 (E_RNA) where: Base-Base interactions energy: -60.537 where: short stacking energy: -23.485 Base-Backbone interact. energy: -0.001 local terms energy: -22.949137 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -5.158 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -2.744 tors. eta vs tors. theta energy: -4.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -83.953884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.953884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.953884 (E_RNA) where: Base-Base interactions energy: -60.780 where: short stacking energy: -21.761 Base-Backbone interact. energy: -0.178 local terms energy: -22.996048 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: 2.511 tors. eta vs tors. theta energy: -5.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -77.336867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.336867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.336867 (E_RNA) where: Base-Base interactions energy: -54.701 where: short stacking energy: -22.316 Base-Backbone interact. energy: -0.053 local terms energy: -22.582970 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -1.247 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -40.900402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.900402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.900402 (E_RNA) where: Base-Base interactions energy: -13.572 where: short stacking energy: -13.572 Base-Backbone interact. energy: -0.002 local terms energy: -27.326675 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -4.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -48.346310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.346310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.346310 (E_RNA) where: Base-Base interactions energy: -24.244 where: short stacking energy: -24.244 Base-Backbone interact. energy: 0.480 local terms energy: -24.581990 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.634 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -4.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -46.329432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.329432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.329432 (E_RNA) where: Base-Base interactions energy: -24.722 where: short stacking energy: -19.367 Base-Backbone interact. energy: -0.018 local terms energy: -21.589262 where: bonds (distance) C4'-P energy: -5.922 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.547 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -2.018 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: 6 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -47.824733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.824733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.824733 (E_RNA) where: Base-Base interactions energy: -18.858 where: short stacking energy: -18.858 Base-Backbone interact. energy: -0.057 local terms energy: -28.909917 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -2.723 tors. eta vs tors. theta energy: -6.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -41.654312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.654312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.654312 (E_RNA) where: Base-Base interactions energy: -19.979 where: short stacking energy: -14.462 Base-Backbone interact. energy: -0.001 local terms energy: -21.674600 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -0.375 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -86.251803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.251803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.251803 (E_RNA) where: Base-Base interactions energy: -55.970 where: short stacking energy: -21.409 Base-Backbone interact. energy: -0.010 local terms energy: -30.271649 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -5.146 tors. eta vs tors. theta energy: -5.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -92.559195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.559195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.559195 (E_RNA) where: Base-Base interactions energy: -69.087 where: short stacking energy: -27.734 Base-Backbone interact. energy: -0.355 local terms energy: -23.116783 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -0.944 tors. eta vs tors. theta energy: -2.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -79.917534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.917534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.917534 (E_RNA) where: Base-Base interactions energy: -51.198 where: short stacking energy: -22.142 Base-Backbone interact. energy: -0.001 local terms energy: -28.718414 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -1.845 tors. eta vs tors. theta energy: -4.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -87.622304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.622304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.622304 (E_RNA) where: Base-Base interactions energy: -64.720 where: short stacking energy: -25.032 Base-Backbone interact. energy: -0.655 local terms energy: -22.247164 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: 0.061 tors. eta vs tors. theta energy: -5.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -49.929365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.929365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.929365 (E_RNA) where: Base-Base interactions energy: -23.396 where: short stacking energy: -23.396 Base-Backbone interact. energy: -0.060 local terms energy: -26.473380 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -4.895 tors. eta vs tors. theta energy: -4.213 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: 8 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -77.481914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.481914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.481914 (E_RNA) where: Base-Base interactions energy: -50.625 where: short stacking energy: -21.471 Base-Backbone interact. energy: -0.000 local terms energy: -26.857085 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -52.778396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.778396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.778396 (E_RNA) where: Base-Base interactions energy: -28.297 where: short stacking energy: -15.199 Base-Backbone interact. energy: -0.183 local terms energy: -24.297708 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -45.376665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.376665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.376665 (E_RNA) where: Base-Base interactions energy: -17.066 where: short stacking energy: -17.066 Base-Backbone interact. energy: -0.002 local terms energy: -28.308985 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.124 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -4.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -39.847598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.847598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.847598 (E_RNA) where: Base-Base interactions energy: -14.929 where: short stacking energy: -14.929 Base-Backbone interact. energy: -0.103 local terms energy: -24.815645 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -2.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -41.193805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.193805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.193805 (E_RNA) where: Base-Base interactions energy: -19.013 where: short stacking energy: -19.013 Base-Backbone interact. energy: -0.000 local terms energy: -22.180285 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -1.617 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -3.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -87.062112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.062112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.062112 (E_RNA) where: Base-Base interactions energy: -64.730 where: short stacking energy: -20.836 Base-Backbone interact. energy: 0.271 local terms energy: -22.603208 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.977 flat angles P-C4'-P energy: -0.433 tors. eta vs tors. theta energy: -2.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -94.792134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.792134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.792134 (E_RNA) where: Base-Base interactions energy: -70.681 where: short stacking energy: -25.730 Base-Backbone interact. energy: -0.029 local terms energy: -24.082482 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -0.519 tors. eta vs tors. theta energy: -5.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -83.540813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.540813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.540813 (E_RNA) where: Base-Base interactions energy: -58.251 where: short stacking energy: -25.466 Base-Backbone interact. energy: -0.000 local terms energy: -25.289760 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -2.083 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: 7 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -79.420525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.420525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.420525 (E_RNA) where: Base-Base interactions energy: -53.731 where: short stacking energy: -21.992 Base-Backbone interact. energy: -0.001 local terms energy: -25.688405 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -1.689 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: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -44.042328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.042328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.042328 (E_RNA) where: Base-Base interactions energy: -18.902 where: short stacking energy: -18.902 Base-Backbone interact. energy: -0.002 local terms energy: -25.137488 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -5.246 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -2.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -83.209358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.209358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.209358 (E_RNA) where: Base-Base interactions energy: -62.774 where: short stacking energy: -23.117 Base-Backbone interact. energy: -0.000 local terms energy: -20.435564 where: bonds (distance) C4'-P energy: -3.922 bonds (distance) P-C4' energy: -4.312 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -2.636 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -50.496859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.496859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.496859 (E_RNA) where: Base-Base interactions energy: -20.671 where: short stacking energy: -20.671 Base-Backbone interact. energy: -0.000 local terms energy: -29.826295 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -7.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -42.300632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.300632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.300632 (E_RNA) where: Base-Base interactions energy: -20.506 where: short stacking energy: -19.373 Base-Backbone interact. energy: -0.040 local terms energy: -21.754406 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -49.362237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.362237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.362237 (E_RNA) where: Base-Base interactions energy: -22.878 where: short stacking energy: -22.878 Base-Backbone interact. energy: -0.000 local terms energy: -26.484000 where: bonds (distance) C4'-P energy: -4.403 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: -5.552 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: 10, replica: 6 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -38.061550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.061550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.061550 (E_RNA) where: Base-Base interactions energy: -14.464 where: short stacking energy: -14.464 Base-Backbone interact. energy: -0.000 local terms energy: -23.597824 where: bonds (distance) C4'-P energy: -3.542 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -2.794 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -95.967354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.967354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.967354 (E_RNA) where: Base-Base interactions energy: -73.732 where: short stacking energy: -28.390 Base-Backbone interact. energy: -0.043 local terms energy: -22.192309 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: 0.076 tors. eta vs tors. theta energy: -6.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -88.787009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.787009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.787009 (E_RNA) where: Base-Base interactions energy: -62.653 where: short stacking energy: -24.628 Base-Backbone interact. energy: -0.005 local terms energy: -26.129070 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -0.763 tors. eta vs tors. theta energy: -5.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -81.724159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.724159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.724159 (E_RNA) where: Base-Base interactions energy: -55.269 where: short stacking energy: -23.530 Base-Backbone interact. energy: -0.000 local terms energy: -26.454435 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -3.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -85.369904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.369904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.369904 (E_RNA) where: Base-Base interactions energy: -61.391 where: short stacking energy: -20.995 Base-Backbone interact. energy: -0.007 local terms energy: -23.972470 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -1.319 tors. eta vs tors. theta energy: -4.056 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: 8 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -84.085369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.085369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.085369 (E_RNA) where: Base-Base interactions energy: -58.826 where: short stacking energy: -21.057 Base-Backbone interact. energy: -0.106 local terms energy: -25.152895 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -0.044 tors. eta vs tors. theta energy: -6.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -40.963385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.963385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.963385 (E_RNA) where: Base-Base interactions energy: -21.867 where: short stacking energy: -12.568 Base-Backbone interact. energy: -0.008 local terms energy: -19.089032 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -6.087 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: 0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -51.024140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.024140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.024140 (E_RNA) where: Base-Base interactions energy: -26.611 where: short stacking energy: -16.008 Base-Backbone interact. energy: -0.003 local terms energy: -24.409644 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -1.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -42.766199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.766199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.766199 (E_RNA) where: Base-Base interactions energy: -18.483 where: short stacking energy: -15.668 Base-Backbone interact. energy: -0.000 local terms energy: -24.282992 where: bonds (distance) C4'-P energy: -5.103 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -3.228 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: 9, replica: 6 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -40.865286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.865286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.865286 (E_RNA) where: Base-Base interactions energy: -15.996 where: short stacking energy: -15.996 Base-Backbone interact. energy: -0.007 local terms energy: -24.862338 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -42.147852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.147852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.147852 (E_RNA) where: Base-Base interactions energy: -16.064 where: short stacking energy: -16.020 Base-Backbone interact. energy: -0.026 local terms energy: -26.058355 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.927 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -3.033 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: 4 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -96.573554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.573554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.573554 (E_RNA) where: Base-Base interactions energy: -71.911 where: short stacking energy: -27.892 Base-Backbone interact. energy: -0.157 local terms energy: -24.505392 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: 1.248 tors. eta vs tors. theta energy: -5.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -90.962400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.962400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.962400 (E_RNA) where: Base-Base interactions energy: -67.621 where: short stacking energy: -24.353 Base-Backbone interact. energy: 0.729 local terms energy: -24.071074 where: bonds (distance) C4'-P energy: -4.564 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: 0.581 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: 3, replica: 7 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -83.906314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.906314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.906314 (E_RNA) where: Base-Base interactions energy: -56.236 where: short stacking energy: -25.271 Base-Backbone interact. energy: -0.001 local terms energy: -27.670005 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -4.630 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: 4, replica: 8 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -82.179698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.179698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.179698 (E_RNA) where: Base-Base interactions energy: -54.430 where: short stacking energy: -25.513 Base-Backbone interact. energy: -0.043 local terms energy: -27.706595 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -5.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -76.208482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.208482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.208482 (E_RNA) where: Base-Base interactions energy: -50.059 where: short stacking energy: -20.051 Base-Backbone interact. energy: -0.000 local terms energy: -26.148685 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.521 flat angles P-C4'-P energy: -2.207 tors. eta vs tors. theta energy: -4.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -77.181791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.181791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.181791 (E_RNA) where: Base-Base interactions energy: -52.020 where: short stacking energy: -13.226 Base-Backbone interact. energy: -0.014 local terms energy: -25.148005 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: -3.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -47.297009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.297009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.297009 (E_RNA) where: Base-Base interactions energy: -24.968 where: short stacking energy: -23.656 Base-Backbone interact. energy: -0.001 local terms energy: -22.328500 where: bonds (distance) C4'-P energy: -4.224 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -0.912 tors. eta vs tors. theta energy: -5.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -38.135758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.135758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.135758 (E_RNA) where: Base-Base interactions energy: -12.559 where: short stacking energy: -12.559 Base-Backbone interact. energy: -0.000 local terms energy: -25.576972 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -3.500 tors. eta vs tors. theta energy: -3.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -40.605560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.605560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.605560 (E_RNA) where: Base-Base interactions energy: -18.591 where: short stacking energy: -14.497 Base-Backbone interact. energy: 1.676 local terms energy: -23.690636 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -5.404 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: 10, replica: 2 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -37.852081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.852081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.852081 (E_RNA) where: Base-Base interactions energy: -18.427 where: short stacking energy: -18.427 Base-Backbone interact. energy: -0.012 local terms energy: -19.412778 where: bonds (distance) C4'-P energy: -5.963 bonds (distance) P-C4' energy: -5.226 flat angles C4'-P-C4' energy: -2.382 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -94.955232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.955232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.955232 (E_RNA) where: Base-Base interactions energy: -70.674 where: short stacking energy: -25.169 Base-Backbone interact. energy: -0.008 local terms energy: -24.272530 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: 1.215 tors. eta vs tors. theta energy: -5.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -90.400864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.400864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.400864 (E_RNA) where: Base-Base interactions energy: -66.144 where: short stacking energy: -23.604 Base-Backbone interact. energy: -0.004 local terms energy: -24.252571 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: 1.182 tors. eta vs tors. theta energy: -5.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -89.727803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.727803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.727803 (E_RNA) where: Base-Base interactions energy: -66.917 where: short stacking energy: -25.590 Base-Backbone interact. energy: -0.844 local terms energy: -21.966288 where: bonds (distance) C4'-P energy: -4.723 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -0.063 tors. eta vs tors. theta energy: -2.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -79.638416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.638416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.638416 (E_RNA) where: Base-Base interactions energy: -51.394 where: short stacking energy: -22.460 Base-Backbone interact. energy: -0.000 local terms energy: -28.243785 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -4.831 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: 5, replica: 9 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -78.224342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.224342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.224342 (E_RNA) where: Base-Base interactions energy: -50.752 where: short stacking energy: -22.702 Base-Backbone interact. energy: -0.000 local terms energy: -27.471726 where: bonds (distance) C4'-P energy: -4.482 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -6.256 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: 10 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -76.592660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.592660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.592660 (E_RNA) where: Base-Base interactions energy: -52.505 where: short stacking energy: -21.939 Base-Backbone interact. energy: -0.000 local terms energy: -24.087584 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -4.935 tors. eta vs tors. theta energy: -1.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -52.367879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.367879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.367879 (E_RNA) where: Base-Base interactions energy: -26.035 where: short stacking energy: -26.035 Base-Backbone interact. energy: -0.000 local terms energy: -26.332908 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -1.414 tors. eta vs tors. theta energy: -6.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -44.584588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.584588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.584588 (E_RNA) where: Base-Base interactions energy: -22.281 where: short stacking energy: -22.281 Base-Backbone interact. energy: -0.000 local terms energy: -22.303799 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -7.023 flat angles C4'-P-C4' energy: -3.857 flat angles P-C4'-P energy: -3.565 tors. eta vs tors. theta energy: -3.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -44.539205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.539205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.539205 (E_RNA) where: Base-Base interactions energy: -19.432 where: short stacking energy: -19.432 Base-Backbone interact. energy: -0.001 local terms energy: -25.106749 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.201 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -40.480673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.480673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.480673 (E_RNA) where: Base-Base interactions energy: -17.883 where: short stacking energy: -13.643 Base-Backbone interact. energy: -0.029 local terms energy: -22.568520 where: bonds (distance) C4'-P energy: -4.145 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -2.348 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -96.243256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.243256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.243256 (E_RNA) where: Base-Base interactions energy: -70.853 where: short stacking energy: -25.507 Base-Backbone interact. energy: -0.005 local terms energy: -25.385241 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -0.684 tors. eta vs tors. theta energy: -4.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -89.565669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.565669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.565669 (E_RNA) where: Base-Base interactions energy: -65.268 where: short stacking energy: -25.492 Base-Backbone interact. energy: -0.017 local terms energy: -24.281059 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: 0.579 tors. eta vs tors. theta energy: -4.117 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: 3, replica: 1 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -86.337668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.337668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.337668 (E_RNA) where: Base-Base interactions energy: -63.283 where: short stacking energy: -23.186 Base-Backbone interact. energy: -0.046 local terms energy: -23.008807 where: bonds (distance) C4'-P energy: -4.796 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -1.099 tors. eta vs tors. theta energy: -4.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -83.413667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.413667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.413667 (E_RNA) where: Base-Base interactions energy: -58.036 where: short stacking energy: -21.927 Base-Backbone interact. energy: -0.027 local terms energy: -25.351055 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.834 flat angles P-C4'-P energy: 0.035 tors. eta vs tors. theta energy: -4.301 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: 8 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -81.164543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.164543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.164543 (E_RNA) where: Base-Base interactions energy: -51.654 where: short stacking energy: -23.304 Base-Backbone interact. energy: -0.001 local terms energy: -29.509467 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -75.711364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.711364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.711364 (E_RNA) where: Base-Base interactions energy: -53.971 where: short stacking energy: -20.190 Base-Backbone interact. energy: -0.000 local terms energy: -21.739636 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -2.321 tors. eta vs tors. theta energy: -2.901 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: 6 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -54.664489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.664489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.664489 (E_RNA) where: Base-Base interactions energy: -27.579 where: short stacking energy: -21.917 Base-Backbone interact. energy: -0.001 local terms energy: -27.083872 where: bonds (distance) C4'-P energy: -4.085 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.576 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -4.775 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: 2 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -39.890498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.890498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.890498 (E_RNA) where: Base-Base interactions energy: -18.969 where: short stacking energy: -14.466 Base-Backbone interact. energy: -0.128 local terms energy: -20.793308 where: bonds (distance) C4'-P energy: -3.496 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -1.551 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: 9, replica: 5 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -46.866554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.866554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.866554 (E_RNA) where: Base-Base interactions energy: -20.631 where: short stacking energy: -20.631 Base-Backbone interact. energy: -0.000 local terms energy: -26.235455 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -2.756 tors. eta vs tors. theta energy: -5.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -43.388411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.388411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.388411 (E_RNA) where: Base-Base interactions energy: -21.447 where: short stacking energy: -16.015 Base-Backbone interact. energy: -0.083 local terms energy: -21.858084 where: bonds (distance) C4'-P energy: -4.597 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -1.861 tors. eta vs tors. theta energy: -3.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -93.572905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.572905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.572905 (E_RNA) where: Base-Base interactions energy: -67.890 where: short stacking energy: -25.818 Base-Backbone interact. energy: -0.003 local terms energy: -25.680292 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -1.768 tors. eta vs tors. theta energy: -3.203 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: 4 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -90.353942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.353942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.353942 (E_RNA) where: Base-Base interactions energy: -66.698 where: short stacking energy: -26.513 Base-Backbone interact. energy: -0.000 local terms energy: -23.655854 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -1.791 tors. eta vs tors. theta energy: -2.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -80.539088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.539088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.539088 (E_RNA) where: Base-Base interactions energy: -57.294 where: short stacking energy: -26.679 Base-Backbone interact. energy: -0.323 local terms energy: -22.922305 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -0.854 flat angles P-C4'-P energy: -3.207 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: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -77.481687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.481687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.481687 (E_RNA) where: Base-Base interactions energy: -55.482 where: short stacking energy: -17.442 Base-Backbone interact. energy: -0.010 local terms energy: -21.989191 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -2.217 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -81.014979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.014979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.014979 (E_RNA) where: Base-Base interactions energy: -53.635 where: short stacking energy: -23.965 Base-Backbone interact. energy: -0.012 local terms energy: -27.368082 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -3.188 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -4.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -75.149867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.149867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.149867 (E_RNA) where: Base-Base interactions energy: -52.953 where: short stacking energy: -21.908 Base-Backbone interact. energy: -0.228 local terms energy: -21.968595 where: bonds (distance) C4'-P energy: -5.856 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -2.195 tors. eta vs tors. theta energy: -4.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -41.981679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.981679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.981679 (E_RNA) where: Base-Base interactions energy: -16.207 where: short stacking energy: -16.207 Base-Backbone interact. energy: -0.002 local terms energy: -25.772540 where: bonds (distance) C4'-P energy: -5.418 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -71.611055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.611055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.611055 (E_RNA) where: Base-Base interactions energy: -46.866 where: short stacking energy: -16.747 Base-Backbone interact. energy: -0.099 local terms energy: -24.645302 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -1.466 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -4.617 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: 9, replica: 3 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -50.927158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.927158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.927158 (E_RNA) where: Base-Base interactions energy: -26.042 where: short stacking energy: -26.042 Base-Backbone interact. energy: -0.006 local terms energy: -24.878610 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -1.831 tors. eta vs tors. theta energy: -3.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -44.490636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.490636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.490636 (E_RNA) where: Base-Base interactions energy: -16.107 where: short stacking energy: -16.107 Base-Backbone interact. energy: -0.000 local terms energy: -28.384037 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -5.101 tors. eta vs tors. theta energy: -3.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -88.970628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.970628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.970628 (E_RNA) where: Base-Base interactions energy: -65.583 where: short stacking energy: -24.894 Base-Backbone interact. energy: -0.038 local terms energy: -23.348660 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -1.433 tors. eta vs tors. theta energy: -3.670 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: 4 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -89.128437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.128437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.128437 (E_RNA) where: Base-Base interactions energy: -60.335 where: short stacking energy: -22.252 Base-Backbone interact. energy: -0.000 local terms energy: -28.793617 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -5.599 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: 9 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -84.542152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.542152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.542152 (E_RNA) where: Base-Base interactions energy: -58.820 where: short stacking energy: -24.122 Base-Backbone interact. energy: -0.000 local terms energy: -25.722142 where: bonds (distance) C4'-P energy: -5.124 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: -3.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -84.312743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.312743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.312743 (E_RNA) where: Base-Base interactions energy: -65.841 where: short stacking energy: -26.394 Base-Backbone interact. energy: -0.034 local terms energy: -18.437818 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.484 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: 2.298 tors. eta vs tors. theta energy: -4.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -75.009827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.009827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.009827 (E_RNA) where: Base-Base interactions energy: -52.714 where: short stacking energy: -23.024 Base-Backbone interact. energy: -0.001 local terms energy: -22.294744 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -1.080 tors. eta vs tors. theta energy: -4.827 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: 6, replica: 2 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -50.684198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.684198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.684198 (E_RNA) where: Base-Base interactions energy: -28.438 where: short stacking energy: -14.244 Base-Backbone interact. energy: -0.000 local terms energy: -22.245801 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -2.862 tors. eta vs tors. theta energy: -0.604 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: 8 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -38.412507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.412507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.412507 (E_RNA) where: Base-Base interactions energy: -15.733 where: short stacking energy: -15.733 Base-Backbone interact. energy: -0.000 local terms energy: -22.679614 where: bonds (distance) C4'-P energy: -2.432 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -4.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -37.028552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.028552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.028552 (E_RNA) where: Base-Base interactions energy: -16.645 where: short stacking energy: -16.645 Base-Backbone interact. energy: -0.076 local terms energy: -20.307932 where: bonds (distance) C4'-P energy: -3.728 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -2.765 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -77.915584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.915584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.915584 (E_RNA) where: Base-Base interactions energy: -59.477 where: short stacking energy: -21.657 Base-Backbone interact. energy: 0.673 local terms energy: -19.111999 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.713 flat angles C4'-P-C4' energy: -3.528 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -4.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -37.514659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.514659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.514659 (E_RNA) where: Base-Base interactions energy: -17.334 where: short stacking energy: -16.995 Base-Backbone interact. energy: -0.011 local terms energy: -20.169472 where: bonds (distance) C4'-P energy: -4.766 bonds (distance) P-C4' energy: -2.836 flat angles C4'-P-C4' energy: -6.459 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -2.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -83.630781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.630781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.630781 (E_RNA) where: Base-Base interactions energy: -65.132 where: short stacking energy: -24.556 Base-Backbone interact. energy: -0.001 local terms energy: -18.498293 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.855 flat angles C4'-P-C4' energy: -4.194 flat angles P-C4'-P energy: -0.209 tors. eta vs tors. theta energy: -4.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -83.450849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.450849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.450849 (E_RNA) where: Base-Base interactions energy: -53.472 where: short stacking energy: -23.571 Base-Backbone interact. energy: -0.000 local terms energy: -29.978624 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -7.149 flat angles P-C4'-P energy: -5.856 tors. eta vs tors. theta energy: -4.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -79.237657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.237657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.237657 (E_RNA) where: Base-Base interactions energy: -59.674 where: short stacking energy: -23.131 Base-Backbone interact. energy: -0.362 local terms energy: -19.202126 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -6.079 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -0.601 tors. eta vs tors. theta energy: -2.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -79.582479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.582479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.582479 (E_RNA) where: Base-Base interactions energy: -52.345 where: short stacking energy: -22.098 Base-Backbone interact. energy: -0.408 local terms energy: -26.830203 where: bonds (distance) C4'-P energy: -4.175 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -4.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -81.630584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.630584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.630584 (E_RNA) where: Base-Base interactions energy: -59.776 where: short stacking energy: -23.074 Base-Backbone interact. energy: 0.716 local terms energy: -22.571043 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -3.989 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -2.172 tors. eta vs tors. theta energy: -4.096 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: 6, replica: 2 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -44.439235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.439235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.439235 (E_RNA) where: Base-Base interactions energy: -16.883 where: short stacking energy: -16.883 Base-Backbone interact. energy: -0.003 local terms energy: -27.553141 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -2.722 tors. eta vs tors. theta energy: -5.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -47.261647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.261647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.261647 (E_RNA) where: Base-Base interactions energy: -22.671 where: short stacking energy: -22.671 Base-Backbone interact. energy: -0.000 local terms energy: -24.590331 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -4.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -50.583164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.583164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.583164 (E_RNA) where: Base-Base interactions energy: -21.467 where: short stacking energy: -21.467 Base-Backbone interact. energy: -0.010 local terms energy: -29.106320 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -5.625 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -76.531849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.531849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.531849 (E_RNA) where: Base-Base interactions energy: -51.637 where: short stacking energy: -20.514 Base-Backbone interact. energy: -0.000 local terms energy: -24.894570 where: bonds (distance) C4'-P energy: -3.820 bonds (distance) P-C4' energy: -6.213 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -2.890 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: 5 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -43.221909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.221909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.221909 (E_RNA) where: Base-Base interactions energy: -26.079 where: short stacking energy: -9.101 Base-Backbone interact. energy: -0.067 local terms energy: -17.075487 where: bonds (distance) C4'-P energy: -2.726 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -0.434 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: 4 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -85.681296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.681296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.681296 (E_RNA) where: Base-Base interactions energy: -58.938 where: short stacking energy: -23.459 Base-Backbone interact. energy: -0.000 local terms energy: -26.742887 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -6.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -86.225718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.225718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.225718 (E_RNA) where: Base-Base interactions energy: -61.855 where: short stacking energy: -21.329 Base-Backbone interact. energy: -0.011 local terms energy: -24.360591 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: 0.621 tors. eta vs tors. theta energy: -4.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -80.926508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.926508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.926508 (E_RNA) where: Base-Base interactions energy: -52.466 where: short stacking energy: -20.630 Base-Backbone interact. energy: -0.148 local terms energy: -28.312657 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -4.623 tors. eta vs tors. theta energy: -6.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -84.717869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.717869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.717869 (E_RNA) where: Base-Base interactions energy: -69.618 where: short stacking energy: -29.157 Base-Backbone interact. energy: -0.011 local terms energy: -15.088350 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -3.796 flat angles C4'-P-C4' energy: -2.828 flat angles P-C4'-P energy: 0.769 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -77.679527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.679527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.679527 (E_RNA) where: Base-Base interactions energy: -53.115 where: short stacking energy: -18.933 Base-Backbone interact. energy: 0.490 local terms energy: -25.054844 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: -3.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -48.156477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.156477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.156477 (E_RNA) where: Base-Base interactions energy: -21.517 where: short stacking energy: -21.517 Base-Backbone interact. energy: -0.031 local terms energy: -26.608674 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.870 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -5.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -40.187256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.187256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.187256 (E_RNA) where: Base-Base interactions energy: -10.752 where: short stacking energy: -10.752 Base-Backbone interact. energy: -0.011 local terms energy: -29.424666 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -5.596 flat angles P-C4'-P energy: -5.504 tors. eta vs tors. theta energy: -4.353 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: 6 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -56.134156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.134156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.134156 (E_RNA) where: Base-Base interactions energy: -26.928 where: short stacking energy: -26.928 Base-Backbone interact. energy: -0.000 local terms energy: -29.206596 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -5.660 tors. eta vs tors. theta energy: -6.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -38.431481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.431481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.431481 (E_RNA) where: Base-Base interactions energy: -14.335 where: short stacking energy: -14.335 Base-Backbone interact. energy: -0.001 local terms energy: -24.095535 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -45.493602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.493602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.493602 (E_RNA) where: Base-Base interactions energy: -19.901 where: short stacking energy: -19.901 Base-Backbone interact. energy: -0.000 local terms energy: -25.592647 where: bonds (distance) C4'-P energy: -3.505 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -3.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -91.294619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.294619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.294619 (E_RNA) where: Base-Base interactions energy: -70.027 where: short stacking energy: -27.768 Base-Backbone interact. energy: 0.368 local terms energy: -21.635556 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: 0.518 tors. eta vs tors. theta energy: -1.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -85.213279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.213279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.213279 (E_RNA) where: Base-Base interactions energy: -61.864 where: short stacking energy: -21.569 Base-Backbone interact. energy: -0.002 local terms energy: -23.346724 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -3.551 flat angles P-C4'-P energy: -1.478 tors. eta vs tors. theta energy: -4.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -80.065960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.065960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.065960 (E_RNA) where: Base-Base interactions energy: -52.091 where: short stacking energy: -23.639 Base-Backbone interact. energy: -0.005 local terms energy: -27.969374 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -7.554 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -3.313 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: 38 Temperature: 1.050000 Total energy: -79.933941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.933941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.933941 (E_RNA) where: Base-Base interactions energy: -51.912 where: short stacking energy: -19.862 Base-Backbone interact. energy: -0.000 local terms energy: -28.021692 where: bonds (distance) C4'-P energy: -6.121 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -1.654 tors. eta vs tors. theta energy: -5.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -50.385117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.385117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.385117 (E_RNA) where: Base-Base interactions energy: -23.879 where: short stacking energy: -20.401 Base-Backbone interact. energy: -0.009 local terms energy: -26.497034 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -0.706 tors. eta vs tors. theta energy: -5.242 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: 6, replica: 8 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -54.076725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.076725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.076725 (E_RNA) where: Base-Base interactions energy: -26.339 where: short stacking energy: -26.339 Base-Backbone interact. energy: -0.000 local terms energy: -27.737634 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -0.322 tors. eta vs tors. theta energy: -7.144 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: 7, replica: 6 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -48.968908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.968908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.968908 (E_RNA) where: Base-Base interactions energy: -20.607 where: short stacking energy: -20.607 Base-Backbone interact. energy: -0.080 local terms energy: -28.281790 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.550 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -2.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -39.830237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.830237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.830237 (E_RNA) where: Base-Base interactions energy: -14.429 where: short stacking energy: -14.429 Base-Backbone interact. energy: -0.000 local terms energy: -25.400939 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -4.326 tors. eta vs tors. theta energy: -4.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -44.166748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.166748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.166748 (E_RNA) where: Base-Base interactions energy: -21.405 where: short stacking energy: -9.227 Base-Backbone interact. energy: 0.474 local terms energy: -23.235465 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: 0.642 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: 38 Temperature: 1.350000 Total energy: -44.540099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.540099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.540099 (E_RNA) where: Base-Base interactions energy: -18.544 where: short stacking energy: -18.200 Base-Backbone interact. energy: -0.004 local terms energy: -25.992121 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -3.468 tors. eta vs tors. theta energy: -4.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -92.215023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.215023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.215023 (E_RNA) where: Base-Base interactions energy: -67.569 where: short stacking energy: -25.792 Base-Backbone interact. energy: -0.022 local terms energy: -24.623883 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -0.478 tors. eta vs tors. theta energy: -4.887 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: 4 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -86.980799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.980799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.980799 (E_RNA) where: Base-Base interactions energy: -64.286 where: short stacking energy: -24.207 Base-Backbone interact. energy: -0.203 local terms energy: -22.492058 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -4.620 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -1.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -83.141330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.141330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.141330 (E_RNA) where: Base-Base interactions energy: -56.501 where: short stacking energy: -23.815 Base-Backbone interact. energy: -0.001 local terms energy: -26.639234 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -2.780 tors. eta vs tors. theta energy: -5.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -80.224380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.224380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.224380 (E_RNA) where: Base-Base interactions energy: -60.530 where: short stacking energy: -20.398 Base-Backbone interact. energy: -0.009 local terms energy: -19.685296 where: bonds (distance) C4'-P energy: -4.891 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: 0.560 tors. eta vs tors. theta energy: -5.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -42.129130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.129130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.129130 (E_RNA) where: Base-Base interactions energy: -19.845 where: short stacking energy: -12.741 Base-Backbone interact. energy: -0.177 local terms energy: -22.107156 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -0.277 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: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -45.120340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.120340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.120340 (E_RNA) where: Base-Base interactions energy: -20.281 where: short stacking energy: -20.281 Base-Backbone interact. energy: -0.000 local terms energy: -24.838624 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -3.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -46.742873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.742873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.742873 (E_RNA) where: Base-Base interactions energy: -20.997 where: short stacking energy: -20.997 Base-Backbone interact. energy: -0.013 local terms energy: -25.733186 where: bonds (distance) C4'-P energy: -4.992 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -4.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -43.981892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.981892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.981892 (E_RNA) where: Base-Base interactions energy: -19.181 where: short stacking energy: -15.715 Base-Backbone interact. energy: -0.090 local terms energy: -24.710859 where: bonds (distance) C4'-P energy: -4.254 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -2.925 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: 39 Temperature: 1.300000 Total energy: -53.276274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.276274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.276274 (E_RNA) where: Base-Base interactions energy: -26.158 where: short stacking energy: -26.158 Base-Backbone interact. energy: -0.000 local terms energy: -27.118405 where: bonds (distance) C4'-P energy: -2.495 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -6.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -34.882938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.882938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.882938 (E_RNA) where: Base-Base interactions energy: -14.904 where: short stacking energy: -14.904 Base-Backbone interact. energy: 0.096 local terms energy: -20.074777 where: bonds (distance) C4'-P energy: -4.406 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -1.954 tors. eta vs tors. theta energy: -0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -88.486258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.486258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.486258 (E_RNA) where: Base-Base interactions energy: -65.107 where: short stacking energy: -25.182 Base-Backbone interact. energy: -0.011 local terms energy: -23.368653 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: 0.446 tors. eta vs tors. theta energy: -3.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -88.328393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.328393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.328393 (E_RNA) where: Base-Base interactions energy: -64.178 where: short stacking energy: -26.423 Base-Backbone interact. energy: -0.955 local terms energy: -23.195774 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -1.808 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -81.809807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.809807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.809807 (E_RNA) where: Base-Base interactions energy: -50.448 where: short stacking energy: -20.497 Base-Backbone interact. energy: -0.002 local terms energy: -31.360339 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -6.118 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: 4, replica: 1 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -79.799616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.799616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.799616 (E_RNA) where: Base-Base interactions energy: -52.171 where: short stacking energy: -24.097 Base-Backbone interact. energy: -0.000 local terms energy: -27.628093 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -5.545 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.736 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: 5, replica: 6 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -47.279543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.279543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.279543 (E_RNA) where: Base-Base interactions energy: -25.995 where: short stacking energy: -19.534 Base-Backbone interact. energy: 0.122 local terms energy: -21.406767 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -6.093 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -2.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -43.929795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.929795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.929795 (E_RNA) where: Base-Base interactions energy: -21.206 where: short stacking energy: -13.206 Base-Backbone interact. energy: -0.070 local terms energy: -22.653912 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -6.636 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -1.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -48.340347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.340347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.340347 (E_RNA) where: Base-Base interactions energy: -31.935 where: short stacking energy: -18.251 Base-Backbone interact. energy: -0.000 local terms energy: -16.405217 where: bonds (distance) C4'-P energy: -2.089 bonds (distance) P-C4' energy: -5.280 flat angles C4'-P-C4' energy: -3.174 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -43.767486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.767486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.767486 (E_RNA) where: Base-Base interactions energy: -19.115 where: short stacking energy: -15.512 Base-Backbone interact. energy: -0.030 local terms energy: -24.622224 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.949 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -1.937 tors. eta vs tors. theta energy: -3.774 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: 5 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -48.719718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.719718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.719718 (E_RNA) where: Base-Base interactions energy: -18.943 where: short stacking energy: -18.943 Base-Backbone interact. energy: -0.087 local terms energy: -29.688947 where: bonds (distance) C4'-P energy: -5.371 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.299 flat angles P-C4'-P energy: -4.118 tors. eta vs tors. theta energy: -6.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -40.178712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.178712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.178712 (E_RNA) where: Base-Base interactions energy: -16.837 where: short stacking energy: -16.837 Base-Backbone interact. energy: -0.001 local terms energy: -23.340645 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -4.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -78.998813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.998813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.998813 (E_RNA) where: Base-Base interactions energy: -54.916 where: short stacking energy: -22.742 Base-Backbone interact. energy: -0.026 local terms energy: -24.057115 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -2.883 tors. eta vs tors. theta energy: -4.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -90.774202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.774202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.774202 (E_RNA) where: Base-Base interactions energy: -63.032 where: short stacking energy: -25.323 Base-Backbone interact. energy: -0.001 local terms energy: -27.741455 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -6.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -91.629994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.629994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.629994 (E_RNA) where: Base-Base interactions energy: -70.540 where: short stacking energy: -26.156 Base-Backbone interact. energy: -0.028 local terms energy: -21.061857 where: bonds (distance) C4'-P energy: -4.481 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: 1.532 tors. eta vs tors. theta energy: -5.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -76.577942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.577942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.577942 (E_RNA) where: Base-Base interactions energy: -48.416 where: short stacking energy: -18.717 Base-Backbone interact. energy: -0.250 local terms energy: -27.911918 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: -3.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -52.966567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.966567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.966567 (E_RNA) where: Base-Base interactions energy: -25.229 where: short stacking energy: -25.229 Base-Backbone interact. energy: -0.000 local terms energy: -27.738035 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -1.964 tors. eta vs tors. theta energy: -8.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -51.289068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.289068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.289068 (E_RNA) where: Base-Base interactions energy: -26.298 where: short stacking energy: -26.298 Base-Backbone interact. energy: -0.003 local terms energy: -24.988428 where: bonds (distance) C4'-P energy: -4.544 bonds (distance) P-C4' energy: -5.891 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -4.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -48.614250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.614250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.614250 (E_RNA) where: Base-Base interactions energy: -22.117 where: short stacking energy: -22.117 Base-Backbone interact. energy: -0.000 local terms energy: -26.497203 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -3.236 tors. eta vs tors. theta energy: -6.073 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: 2 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -45.134235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.134235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.134235 (E_RNA) where: Base-Base interactions energy: -17.711 where: short stacking energy: -17.711 Base-Backbone interact. energy: -0.060 local terms energy: -27.362820 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -1.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -41.004478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.004478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.004478 (E_RNA) where: Base-Base interactions energy: -14.843 where: short stacking energy: -14.843 Base-Backbone interact. energy: -0.004 local terms energy: -26.157897 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -3.030 tors. eta vs tors. theta energy: -3.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -35.227688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.227688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.227688 (E_RNA) where: Base-Base interactions energy: -17.608 where: short stacking energy: -15.351 Base-Backbone interact. energy: -0.044 local terms energy: -17.575761 where: bonds (distance) C4'-P energy: -4.585 bonds (distance) P-C4' energy: -5.262 flat angles C4'-P-C4' energy: -4.701 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: 1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -89.240254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.240254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.240254 (E_RNA) where: Base-Base interactions energy: -64.553 where: short stacking energy: -25.492 Base-Backbone interact. energy: -0.001 local terms energy: -24.686855 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -1.250 tors. eta vs tors. theta energy: -5.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -80.655562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.655562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.655562 (E_RNA) where: Base-Base interactions energy: -49.932 where: short stacking energy: -19.973 Base-Backbone interact. energy: -0.849 local terms energy: -29.874453 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -5.918 tors. eta vs tors. theta energy: -5.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -85.671321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.671321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.671321 (E_RNA) where: Base-Base interactions energy: -61.437 where: short stacking energy: -22.866 Base-Backbone interact. energy: -0.000 local terms energy: -24.234502 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -1.709 flat angles P-C4'-P energy: -2.421 tors. eta vs tors. theta energy: -6.511 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: 4, replica: 10 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -80.965103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.965103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.965103 (E_RNA) where: Base-Base interactions energy: -51.053 where: short stacking energy: -24.168 Base-Backbone interact. energy: -0.002 local terms energy: -29.909992 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -5.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -51.429087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.429087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.429087 (E_RNA) where: Base-Base interactions energy: -26.162 where: short stacking energy: -21.508 Base-Backbone interact. energy: -0.001 local terms energy: -25.266832 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -4.409 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -3.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -54.204589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.204589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.204589 (E_RNA) where: Base-Base interactions energy: -23.402 where: short stacking energy: -23.402 Base-Backbone interact. energy: -0.155 local terms energy: -30.646670 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -5.413 tors. eta vs tors. theta energy: -5.921 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: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -46.870525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.870525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.870525 (E_RNA) where: Base-Base interactions energy: -22.227 where: short stacking energy: -22.227 Base-Backbone interact. energy: -0.097 local terms energy: -24.545811 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -45.890877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.890877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.890877 (E_RNA) where: Base-Base interactions energy: -20.364 where: short stacking energy: -20.364 Base-Backbone interact. energy: -0.016 local terms energy: -25.510975 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -1.776 tors. eta vs tors. theta energy: -4.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -46.529588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.529588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.529588 (E_RNA) where: Base-Base interactions energy: -17.133 where: short stacking energy: -17.133 Base-Backbone interact. energy: -0.000 local terms energy: -29.396798 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -4.569 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: 10, replica: 5 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -37.699658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.699658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.699658 (E_RNA) where: Base-Base interactions energy: -17.194 where: short stacking energy: -16.465 Base-Backbone interact. energy: -0.002 local terms energy: -20.503672 where: bonds (distance) C4'-P energy: -2.511 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -3.060 tors. eta vs tors. theta energy: -3.471 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: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -89.860237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.860237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.860237 (E_RNA) where: Base-Base interactions energy: -66.781 where: short stacking energy: -23.190 Base-Backbone interact. energy: -0.340 local terms energy: -22.739468 where: bonds (distance) C4'-P energy: -6.117 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: 1.466 tors. eta vs tors. theta energy: -6.296 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: 2, replica: 1 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -90.057035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.057035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.057035 (E_RNA) where: Base-Base interactions energy: -66.948 where: short stacking energy: -24.719 Base-Backbone interact. energy: -0.028 local terms energy: -23.081375 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -0.570 tors. eta vs tors. theta energy: -3.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -82.532285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.532285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.532285 (E_RNA) where: Base-Base interactions energy: -52.493 where: short stacking energy: -25.228 Base-Backbone interact. energy: -0.000 local terms energy: -30.039270 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -3.650 tors. eta vs tors. theta energy: -6.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -80.282761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.282761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.282761 (E_RNA) where: Base-Base interactions energy: -57.514 where: short stacking energy: -22.772 Base-Backbone interact. energy: -0.000 local terms energy: -22.769045 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: 2.698 tors. eta vs tors. theta energy: -4.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -48.378645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.378645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.378645 (E_RNA) where: Base-Base interactions energy: -25.791 where: short stacking energy: -18.839 Base-Backbone interact. energy: -0.109 local terms energy: -22.479391 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: -2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -52.700879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.700879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.700879 (E_RNA) where: Base-Base interactions energy: -25.630 where: short stacking energy: -25.630 Base-Backbone interact. energy: -0.017 local terms energy: -27.054051 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -7.199 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: 2 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -43.125942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.125942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.125942 (E_RNA) where: Base-Base interactions energy: -20.349 where: short stacking energy: -20.349 Base-Backbone interact. energy: -0.058 local terms energy: -22.718577 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -3.384 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: 8, replica: 8 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -42.366640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.366640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.366640 (E_RNA) where: Base-Base interactions energy: -18.810 where: short stacking energy: -18.810 Base-Backbone interact. energy: -0.001 local terms energy: -23.555172 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -43.210859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.210859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.210859 (E_RNA) where: Base-Base interactions energy: -16.206 where: short stacking energy: -16.206 Base-Backbone interact. energy: -0.000 local terms energy: -27.004538 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -4.114 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -2.883 tors. eta vs tors. theta energy: -6.178 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: 5 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -58.493598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.493598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.493598 (E_RNA) where: Base-Base interactions energy: -34.555 where: short stacking energy: -15.422 Base-Backbone interact. energy: -0.003 local terms energy: -23.935688 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -0.617 tors. eta vs tors. theta energy: -3.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -93.554805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.554805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.554805 (E_RNA) where: Base-Base interactions energy: -70.708 where: short stacking energy: -27.053 Base-Backbone interact. energy: -0.007 local terms energy: -22.840151 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: 1.001 tors. eta vs tors. theta energy: -3.691 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: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -83.395721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.395721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.395721 (E_RNA) where: Base-Base interactions energy: -55.529 where: short stacking energy: -24.207 Base-Backbone interact. energy: -0.001 local terms energy: -27.865063 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -5.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -80.114358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.114358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.114358 (E_RNA) where: Base-Base interactions energy: -50.979 where: short stacking energy: -20.258 Base-Backbone interact. energy: -0.006 local terms energy: -29.129182 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -4.312 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: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -86.176228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.176228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.176228 (E_RNA) where: Base-Base interactions energy: -64.376 where: short stacking energy: -23.417 Base-Backbone interact. energy: -0.002 local terms energy: -21.797845 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.754 flat angles P-C4'-P energy: -0.015 tors. eta vs tors. theta energy: -3.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -49.413611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.413611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.413611 (E_RNA) where: Base-Base interactions energy: -26.079 where: short stacking energy: -26.079 Base-Backbone interact. energy: -0.000 local terms energy: -23.334865 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -3.609 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -5.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -55.196943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.196943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.196943 (E_RNA) where: Base-Base interactions energy: -28.693 where: short stacking energy: -23.598 Base-Backbone interact. energy: -0.000 local terms energy: -26.504348 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.311 flat angles C4'-P-C4' energy: -1.943 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -8.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -45.128960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.128960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.128960 (E_RNA) where: Base-Base interactions energy: -21.616 where: short stacking energy: -15.552 Base-Backbone interact. energy: -0.001 local terms energy: -23.511892 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: -1.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -46.153281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.153281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.153281 (E_RNA) where: Base-Base interactions energy: -24.926 where: short stacking energy: -13.020 Base-Backbone interact. energy: 0.097 local terms energy: -21.323646 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.319 flat angles C4'-P-C4' energy: -3.525 flat angles P-C4'-P energy: -2.794 tors. eta vs tors. theta energy: -3.187 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: 9, replica: 5 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -37.307350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.307350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.307350 (E_RNA) where: Base-Base interactions energy: -15.044 where: short stacking energy: -9.539 Base-Backbone interact. energy: -0.041 local terms energy: -22.222223 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -3.282 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -43.900611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.900611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.900611 (E_RNA) where: Base-Base interactions energy: -23.721 where: short stacking energy: -23.721 Base-Backbone interact. energy: -0.000 local terms energy: -20.179924 where: bonds (distance) C4'-P energy: -2.469 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -1.056 tors. eta vs tors. theta energy: -3.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -95.628835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.628835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.628835 (E_RNA) where: Base-Base interactions energy: -72.157 where: short stacking energy: -26.404 Base-Backbone interact. energy: -0.291 local terms energy: -23.180512 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: 2.091 tors. eta vs tors. theta energy: -4.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -82.595842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.595842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.595842 (E_RNA) where: Base-Base interactions energy: -54.821 where: short stacking energy: -23.311 Base-Backbone interact. energy: -0.002 local terms energy: -27.773221 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: -5.459 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: 10 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -89.850777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.850777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.850777 (E_RNA) where: Base-Base interactions energy: -66.623 where: short stacking energy: -23.535 Base-Backbone interact. energy: -0.006 local terms energy: -23.221185 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: 0.862 tors. eta vs tors. theta energy: -4.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -91.476769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.476769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.476769 (E_RNA) where: Base-Base interactions energy: -68.598 where: short stacking energy: -26.707 Base-Backbone interact. energy: -0.003 local terms energy: -22.875097 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: 2.094 tors. eta vs tors. theta energy: -5.972 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: 5, replica: 6 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -49.871728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.871728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.871728 (E_RNA) where: Base-Base interactions energy: -23.871 where: short stacking energy: -21.395 Base-Backbone interact. energy: -0.000 local terms energy: -26.000483 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -3.288 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: 8 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -41.768932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.768932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.768932 (E_RNA) where: Base-Base interactions energy: -17.953 where: short stacking energy: -17.953 Base-Backbone interact. energy: -0.001 local terms energy: -23.815272 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -3.288 flat angles P-C4'-P energy: -4.289 tors. eta vs tors. theta energy: -3.318 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: 7, replica: 9 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -40.047592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.047592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.047592 (E_RNA) where: Base-Base interactions energy: -17.578 where: short stacking energy: -14.566 Base-Backbone interact. energy: -0.011 local terms energy: -22.458120 where: bonds (distance) C4'-P energy: -4.916 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -0.160 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: 5 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -44.782673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.782673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.782673 (E_RNA) where: Base-Base interactions energy: -22.386 where: short stacking energy: -18.620 Base-Backbone interact. energy: -0.106 local terms energy: -22.290741 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -0.411 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: -2.473 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: 2 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -40.340029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.340029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.340029 (E_RNA) where: Base-Base interactions energy: -21.235 where: short stacking energy: 0.732 Base-Backbone interact. energy: -0.163 local terms energy: -18.941839 where: bonds (distance) C4'-P energy: -4.461 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -3.740 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: 0.100 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: 3 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -37.502171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.502171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.502171 (E_RNA) where: Base-Base interactions energy: -14.739 where: short stacking energy: -14.739 Base-Backbone interact. energy: -0.013 local terms energy: -22.750844 where: bonds (distance) C4'-P energy: -2.611 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: -1.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -93.568510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.568510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.568510 (E_RNA) where: Base-Base interactions energy: -69.482 where: short stacking energy: -23.795 Base-Backbone interact. energy: -0.340 local terms energy: -23.746822 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -0.090 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: 2, replica: 7 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -81.708561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.708561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.708561 (E_RNA) where: Base-Base interactions energy: -53.549 where: short stacking energy: -21.834 Base-Backbone interact. energy: -0.077 local terms energy: -28.083232 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -1.250 tors. eta vs tors. theta energy: -6.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -94.363772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.363772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.363772 (E_RNA) where: Base-Base interactions energy: -68.687 where: short stacking energy: -27.213 Base-Backbone interact. energy: -0.230 local terms energy: -25.446426 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: 0.184 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: 4, replica: 10 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -92.640594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.640594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.640594 (E_RNA) where: Base-Base interactions energy: -70.313 where: short stacking energy: -27.037 Base-Backbone interact. energy: -0.001 local terms energy: -22.326767 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: 2.613 tors. eta vs tors. theta energy: -5.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -45.116950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.116950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.116950 (E_RNA) where: Base-Base interactions energy: -24.546 where: short stacking energy: -12.875 Base-Backbone interact. energy: -0.007 local terms energy: -20.563895 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.175 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: 1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -42.602974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.602974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.602974 (E_RNA) where: Base-Base interactions energy: -18.130 where: short stacking energy: -18.130 Base-Backbone interact. energy: -0.005 local terms energy: -24.467125 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -2.879 flat angles P-C4'-P energy: -4.568 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: 7, replica: 5 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -46.679309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.679309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.679309 (E_RNA) where: Base-Base interactions energy: -20.583 where: short stacking energy: -20.248 Base-Backbone interact. energy: -0.038 local terms energy: -26.058293 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -41.579990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.579990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.579990 (E_RNA) where: Base-Base interactions energy: -18.275 where: short stacking energy: -18.275 Base-Backbone interact. energy: -0.074 local terms energy: -23.230939 where: bonds (distance) C4'-P energy: -4.552 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -3.336 tors. eta vs tors. theta energy: -2.948 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: 3 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -45.389671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.389671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.389671 (E_RNA) where: Base-Base interactions energy: -23.505 where: short stacking energy: -15.818 Base-Backbone interact. energy: -0.105 local terms energy: -21.779832 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -1.532 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -2.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -38.576682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.576682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.576682 (E_RNA) where: Base-Base interactions energy: -16.747 where: short stacking energy: -16.505 Base-Backbone interact. energy: -0.009 local terms energy: -21.819928 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -4.278 flat angles P-C4'-P energy: -5.855 tors. eta vs tors. theta energy: -0.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -95.543793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.543793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.543793 (E_RNA) where: Base-Base interactions energy: -72.241 where: short stacking energy: -28.111 Base-Backbone interact. energy: -0.005 local terms energy: -23.297898 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: 0.498 tors. eta vs tors. theta energy: -5.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -93.668309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.668309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.668309 (E_RNA) where: Base-Base interactions energy: -68.185 where: short stacking energy: -23.721 Base-Backbone interact. energy: -0.078 local terms energy: -25.405912 where: bonds (distance) C4'-P energy: -6.696 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.197 flat angles P-C4'-P energy: 0.417 tors. eta vs tors. theta energy: -5.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -79.995691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.995691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.995691 (E_RNA) where: Base-Base interactions energy: -52.122 where: short stacking energy: -20.384 Base-Backbone interact. energy: -0.138 local terms energy: -27.735300 where: bonds (distance) C4'-P energy: -4.882 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.771 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -3.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -47.485709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.485709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.485709 (E_RNA) where: Base-Base interactions energy: -21.297 where: short stacking energy: -21.297 Base-Backbone interact. energy: -1.295 local terms energy: -24.893556 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -3.007 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -78.420446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.420446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.420446 (E_RNA) where: Base-Base interactions energy: -55.066 where: short stacking energy: -23.584 Base-Backbone interact. energy: -0.000 local terms energy: -23.354359 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -2.065 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: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -39.884985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.884985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.884985 (E_RNA) where: Base-Base interactions energy: -18.888 where: short stacking energy: -18.888 Base-Backbone interact. energy: -0.000 local terms energy: -20.996834 where: bonds (distance) C4'-P energy: -4.714 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -2.994 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -42.461765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.461765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.461765 (E_RNA) where: Base-Base interactions energy: -15.985 where: short stacking energy: -15.985 Base-Backbone interact. energy: -0.019 local terms energy: -26.458122 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -3.917 tors. eta vs tors. theta energy: -3.060 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: 3 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -40.737888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.737888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.737888 (E_RNA) where: Base-Base interactions energy: -18.516 where: short stacking energy: -18.516 Base-Backbone interact. energy: -0.017 local terms energy: -22.205174 where: bonds (distance) C4'-P energy: -5.271 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -4.705 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -2.443 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: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -54.422763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.422763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.422763 (E_RNA) where: Base-Base interactions energy: -24.742 where: short stacking energy: -24.742 Base-Backbone interact. energy: -0.000 local terms energy: -29.680406 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -8.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -39.906355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.906355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.906355 (E_RNA) where: Base-Base interactions energy: -12.875 where: short stacking energy: -12.875 Base-Backbone interact. energy: -0.025 local terms energy: -27.006646 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -5.312 tors. eta vs tors. theta energy: -3.672 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: 48 Temperature: 0.900000 Total energy: -90.925145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.925145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.925145 (E_RNA) where: Base-Base interactions energy: -68.830 where: short stacking energy: -25.558 Base-Backbone interact. energy: -0.095 local terms energy: -22.000642 where: bonds (distance) C4'-P energy: -4.730 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -2.022 tors. eta vs tors. theta energy: -2.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -92.349442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.349442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.349442 (E_RNA) where: Base-Base interactions energy: -68.705 where: short stacking energy: -27.520 Base-Backbone interact. energy: -0.172 local terms energy: -23.472057 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -1.423 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -50.900912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.900912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.900912 (E_RNA) where: Base-Base interactions energy: -20.129 where: short stacking energy: -20.129 Base-Backbone interact. energy: -0.000 local terms energy: -30.771682 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -7.388 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: 7 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -80.125127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.125127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.125127 (E_RNA) where: Base-Base interactions energy: -51.509 where: short stacking energy: -20.804 Base-Backbone interact. energy: -0.042 local terms energy: -28.573462 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -4.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -78.311839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.311839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.311839 (E_RNA) where: Base-Base interactions energy: -53.109 where: short stacking energy: -20.862 Base-Backbone interact. energy: -0.001 local terms energy: -25.202227 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -3.586 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: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -38.811611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.811611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.811611 (E_RNA) where: Base-Base interactions energy: -13.519 where: short stacking energy: -13.519 Base-Backbone interact. energy: -0.093 local terms energy: -25.199901 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -2.930 tors. eta vs tors. theta energy: -0.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -46.912424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.912424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.912424 (E_RNA) where: Base-Base interactions energy: -22.028 where: short stacking energy: -22.028 Base-Backbone interact. energy: -0.000 local terms energy: -24.884870 where: bonds (distance) C4'-P energy: -4.312 bonds (distance) P-C4' energy: -4.108 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -7.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -44.188447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.188447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.188447 (E_RNA) where: Base-Base interactions energy: -19.717 where: short stacking energy: -19.717 Base-Backbone interact. energy: -0.000 local terms energy: -24.471691 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: -1.836 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: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -41.858893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.858893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.858893 (E_RNA) where: Base-Base interactions energy: -19.016 where: short stacking energy: -19.016 Base-Backbone interact. energy: -0.000 local terms energy: -22.842321 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -0.816 tors. eta vs tors. theta energy: -4.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -42.606172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.606172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.606172 (E_RNA) where: Base-Base interactions energy: -19.198 where: short stacking energy: -19.198 Base-Backbone interact. energy: -0.028 local terms energy: -23.379482 where: bonds (distance) C4'-P energy: -4.543 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -0.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -85.240781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.240781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.240781 (E_RNA) where: Base-Base interactions energy: -53.998 where: short stacking energy: -24.197 Base-Backbone interact. energy: -0.000 local terms energy: -31.242942 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -3.580 tors. eta vs tors. theta energy: -6.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -96.461439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.461439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.461439 (E_RNA) where: Base-Base interactions energy: -78.069 where: short stacking energy: -30.873 Base-Backbone interact. energy: -0.004 local terms energy: -18.387917 where: bonds (distance) C4'-P energy: -3.480 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: 2.346 tors. eta vs tors. theta energy: -4.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -49.219266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.219266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.219266 (E_RNA) where: Base-Base interactions energy: -24.685 where: short stacking energy: -24.685 Base-Backbone interact. energy: -0.003 local terms energy: -24.531091 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -2.000 tors. eta vs tors. theta energy: -4.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -77.627035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.627035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.627035 (E_RNA) where: Base-Base interactions energy: -51.797 where: short stacking energy: -21.789 Base-Backbone interact. energy: -0.096 local terms energy: -25.734177 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -5.974 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -1.198 tors. eta vs tors. theta energy: -4.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -46.352060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.352060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.352060 (E_RNA) where: Base-Base interactions energy: -22.909 where: short stacking energy: -18.393 Base-Backbone interact. energy: -0.000 local terms energy: -23.442598 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -0.724 tors. eta vs tors. theta energy: -4.606 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: 3 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -47.556609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.556609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.556609 (E_RNA) where: Base-Base interactions energy: -20.310 where: short stacking energy: -19.267 Base-Backbone interact. energy: -0.003 local terms energy: -27.244448 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -2.100 tors. eta vs tors. theta energy: -4.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -38.699195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.699195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.699195 (E_RNA) where: Base-Base interactions energy: -15.389 where: short stacking energy: -9.199 Base-Backbone interact. energy: -0.076 local terms energy: -23.234502 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -0.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -44.362070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.362070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.362070 (E_RNA) where: Base-Base interactions energy: -24.575 where: short stacking energy: -11.515 Base-Backbone interact. energy: -0.895 local terms energy: -18.891952 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: 0.442 tors. eta vs tors. theta energy: -2.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -42.206674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.206674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.206674 (E_RNA) where: Base-Base interactions energy: -15.849 where: short stacking energy: -15.849 Base-Backbone interact. energy: -0.000 local terms energy: -26.357971 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.174 flat angles P-C4'-P energy: -5.283 tors. eta vs tors. theta energy: -2.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -36.222935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.222935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.222935 (E_RNA) where: Base-Base interactions energy: -14.870 where: short stacking energy: -14.870 Base-Backbone interact. energy: -0.000 local terms energy: -21.353159 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: -0.342 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: 1, replica: 1 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -94.823808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.823808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.823808 (E_RNA) where: Base-Base interactions energy: -69.891 where: short stacking energy: -28.325 Base-Backbone interact. energy: -0.021 local terms energy: -24.911624 where: bonds (distance) C4'-P energy: -4.775 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -1.135 tors. eta vs tors. theta energy: -5.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -88.144196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.144196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.144196 (E_RNA) where: Base-Base interactions energy: -65.387 where: short stacking energy: -23.574 Base-Backbone interact. energy: -0.243 local terms energy: -22.514178 where: bonds (distance) C4'-P energy: -6.275 bonds (distance) P-C4' energy: -3.588 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -1.113 tors. eta vs tors. theta energy: -4.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -83.436205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.436205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.436205 (E_RNA) where: Base-Base interactions energy: -60.437 where: short stacking energy: -20.256 Base-Backbone interact. energy: -1.132 local terms energy: -21.867917 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -4.596 flat angles P-C4'-P energy: 0.085 tors. eta vs tors. theta energy: -3.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -76.483563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.483563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.483563 (E_RNA) where: Base-Base interactions energy: -50.009 where: short stacking energy: -22.934 Base-Backbone interact. energy: -0.176 local terms energy: -26.298432 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -4.147 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -5.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -60.598160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.598160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.598160 (E_RNA) where: Base-Base interactions energy: -32.307 where: short stacking energy: -32.307 Base-Backbone interact. energy: -0.000 local terms energy: -28.290933 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -7.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -45.738182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.738182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.738182 (E_RNA) where: Base-Base interactions energy: -22.119 where: short stacking energy: -22.119 Base-Backbone interact. energy: -0.008 local terms energy: -23.611451 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.744 flat angles C4'-P-C4' energy: -3.072 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: -4.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -49.695262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.695262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.695262 (E_RNA) where: Base-Base interactions energy: -22.511 where: short stacking energy: -20.677 Base-Backbone interact. energy: -0.070 local terms energy: -27.114072 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -3.288 tors. eta vs tors. theta energy: -3.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -47.496552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.496552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.496552 (E_RNA) where: Base-Base interactions energy: -18.808 where: short stacking energy: -18.808 Base-Backbone interact. energy: -0.000 local terms energy: -28.688326 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -4.260 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: 9, replica: 2 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -37.582411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.582411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.582411 (E_RNA) where: Base-Base interactions energy: -13.309 where: short stacking energy: -8.557 Base-Backbone interact. energy: -0.596 local terms energy: -23.677912 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -1.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -39.010905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.010905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.010905 (E_RNA) where: Base-Base interactions energy: -20.235 where: short stacking energy: -4.964 Base-Backbone interact. energy: -0.021 local terms energy: -18.755084 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -2.372 tors. eta vs tors. theta energy: 0.604 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: 1, replica: 1 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -96.385480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.385480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.385480 (E_RNA) where: Base-Base interactions energy: -74.045 where: short stacking energy: -29.969 Base-Backbone interact. energy: -0.604 local terms energy: -21.737203 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: 2.426 tors. eta vs tors. theta energy: -5.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -79.419562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.419562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.419562 (E_RNA) where: Base-Base interactions energy: -50.261 where: short stacking energy: -23.023 Base-Backbone interact. energy: -0.000 local terms energy: -29.158036 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -5.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -81.923536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.923536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.923536 (E_RNA) where: Base-Base interactions energy: -60.801 where: short stacking energy: -23.300 Base-Backbone interact. energy: 1.046 local terms energy: -22.168501 where: bonds (distance) C4'-P energy: -4.751 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -7.554 flat angles P-C4'-P energy: -0.342 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: 4, replica: 8 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -86.868029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.868029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.868029 (E_RNA) where: Base-Base interactions energy: -63.141 where: short stacking energy: -23.065 Base-Backbone interact. energy: -0.004 local terms energy: -23.722110 where: bonds (distance) C4'-P energy: -3.582 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -2.050 tors. eta vs tors. theta energy: -5.309 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: 3 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -51.659797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.659797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.659797 (E_RNA) where: Base-Base interactions energy: -22.039 where: short stacking energy: -20.729 Base-Backbone interact. energy: -0.000 local terms energy: -29.620614 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.830 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: -6.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -47.162815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.162815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.162815 (E_RNA) where: Base-Base interactions energy: -22.720 where: short stacking energy: -1.187 Base-Backbone interact. energy: -0.153 local terms energy: -24.289985 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: 0.983 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: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -38.772137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.772137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.772137 (E_RNA) where: Base-Base interactions energy: -13.475 where: short stacking energy: -13.475 Base-Backbone interact. energy: -0.106 local terms energy: -25.191664 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -3.646 flat angles P-C4'-P energy: -5.185 tors. eta vs tors. theta energy: -2.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -45.852525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.852525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.852525 (E_RNA) where: Base-Base interactions energy: -17.549 where: short stacking energy: -17.549 Base-Backbone interact. energy: -0.000 local terms energy: -28.303468 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -5.958 tors. eta vs tors. theta energy: -3.763 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: 6 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -50.666989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.666989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.666989 (E_RNA) where: Base-Base interactions energy: -22.242 where: short stacking energy: -22.242 Base-Backbone interact. energy: -0.066 local terms energy: -28.358325 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.786 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -5.038 tors. eta vs tors. theta energy: -4.202 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: 5 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -37.356630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.356630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.356630 (E_RNA) where: Base-Base interactions energy: -19.540 where: short stacking energy: -19.540 Base-Backbone interact. energy: -0.001 local terms energy: -17.815717 where: bonds (distance) C4'-P energy: -3.678 bonds (distance) P-C4' energy: -4.514 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -1.555 tors. eta vs tors. theta energy: -1.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -97.913954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.913954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.913954 (E_RNA) where: Base-Base interactions energy: -74.616 where: short stacking energy: -30.811 Base-Backbone interact. energy: -0.001 local terms energy: -23.297015 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: 2.531 tors. eta vs tors. theta energy: -4.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -87.785493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.785493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.785493 (E_RNA) where: Base-Base interactions energy: -63.289 where: short stacking energy: -23.076 Base-Backbone interact. energy: -0.000 local terms energy: -24.496511 where: bonds (distance) C4'-P energy: -4.878 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -1.657 tors. eta vs tors. theta energy: -4.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -81.512110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.512110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.512110 (E_RNA) where: Base-Base interactions energy: -58.485 where: short stacking energy: -21.263 Base-Backbone interact. energy: -0.001 local terms energy: -23.026087 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -4.579 flat angles P-C4'-P energy: -0.212 tors. eta vs tors. theta energy: -4.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -81.696337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.696337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.696337 (E_RNA) where: Base-Base interactions energy: -57.169 where: short stacking energy: -25.456 Base-Backbone interact. energy: -0.000 local terms energy: -24.527179 where: bonds (distance) C4'-P energy: -5.447 bonds (distance) P-C4' energy: -5.879 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -3.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -83.206287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.206287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.206287 (E_RNA) where: Base-Base interactions energy: -60.210 where: short stacking energy: -25.736 Base-Backbone interact. energy: -0.012 local terms energy: -22.983896 where: bonds (distance) C4'-P energy: -5.881 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -0.396 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: 6, replica: 3 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -58.484111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.484111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.484111 (E_RNA) where: Base-Base interactions energy: -28.378 where: short stacking energy: -28.378 Base-Backbone interact. energy: -0.000 local terms energy: -30.106266 where: bonds (distance) C4'-P energy: -6.345 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -0.811 tors. eta vs tors. theta energy: -8.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -41.637465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.637465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.637465 (E_RNA) where: Base-Base interactions energy: -16.667 where: short stacking energy: -16.667 Base-Backbone interact. energy: -0.039 local terms energy: -24.931677 where: bonds (distance) C4'-P energy: -2.999 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -5.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -48.744413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.744413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.744413 (E_RNA) where: Base-Base interactions energy: -21.375 where: short stacking energy: -21.375 Base-Backbone interact. energy: -0.000 local terms energy: -27.369096 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -3.365 tors. eta vs tors. theta energy: -4.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -45.464660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.464660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.464660 (E_RNA) where: Base-Base interactions energy: -23.167 where: short stacking energy: -10.007 Base-Backbone interact. energy: -0.045 local terms energy: -22.253023 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -1.045 tors. eta vs tors. theta energy: -1.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -43.649135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.649135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.649135 (E_RNA) where: Base-Base interactions energy: -19.625 where: short stacking energy: -19.625 Base-Backbone interact. energy: -0.004 local terms energy: -24.020395 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -0.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -94.912706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.912706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.912706 (E_RNA) where: Base-Base interactions energy: -72.238 where: short stacking energy: -27.334 Base-Backbone interact. energy: 0.125 local terms energy: -22.799352 where: bonds (distance) C4'-P energy: -5.169 bonds (distance) P-C4' energy: -6.265 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: 0.718 tors. eta vs tors. theta energy: -5.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -78.175598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.175598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.175598 (E_RNA) where: Base-Base interactions energy: -51.274 where: short stacking energy: -22.309 Base-Backbone interact. energy: -0.003 local terms energy: -26.898268 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -4.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -90.227529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.227529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.227529 (E_RNA) where: Base-Base interactions energy: -66.094 where: short stacking energy: -24.647 Base-Backbone interact. energy: -0.001 local terms energy: -24.132044 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -3.556 flat angles P-C4'-P energy: -2.330 tors. eta vs tors. theta energy: -5.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -82.758660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.758660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.758660 (E_RNA) where: Base-Base interactions energy: -54.963 where: short stacking energy: -22.084 Base-Backbone interact. energy: 1.438 local terms energy: -29.233699 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -4.830 tors. eta vs tors. theta energy: -4.279 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: 5, replica: 4 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -83.504506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.504506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.504506 (E_RNA) where: Base-Base interactions energy: -64.912 where: short stacking energy: -26.101 Base-Backbone interact. energy: -0.010 local terms energy: -18.582329 where: bonds (distance) C4'-P energy: -4.891 bonds (distance) P-C4' energy: -4.456 flat angles C4'-P-C4' energy: -5.738 flat angles P-C4'-P energy: 2.669 tors. eta vs tors. theta energy: -6.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -56.099791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.099791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.099791 (E_RNA) where: Base-Base interactions energy: -28.664 where: short stacking energy: -14.471 Base-Backbone interact. energy: -0.004 local terms energy: -27.431719 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -7.370 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -3.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -50.743106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.743106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.743106 (E_RNA) where: Base-Base interactions energy: -23.858 where: short stacking energy: -20.152 Base-Backbone interact. energy: -0.005 local terms energy: -26.880784 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -4.776 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: 5 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -38.821725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.821725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.821725 (E_RNA) where: Base-Base interactions energy: -13.070 where: short stacking energy: -13.070 Base-Backbone interact. energy: -0.006 local terms energy: -25.745014 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -51.572478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.572478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.572478 (E_RNA) where: Base-Base interactions energy: -20.109 where: short stacking energy: -20.109 Base-Backbone interact. energy: -0.001 local terms energy: -31.462381 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -6.463 tors. eta vs tors. theta energy: -6.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -33.841793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.841793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.841793 (E_RNA) where: Base-Base interactions energy: -13.608 where: short stacking energy: -11.091 Base-Backbone interact. energy: -0.057 local terms energy: -20.176716 where: bonds (distance) C4'-P energy: -4.014 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -2.634 tors. eta vs tors. theta energy: -1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -84.864275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.864275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.864275 (E_RNA) where: Base-Base interactions energy: -55.507 where: short stacking energy: -23.879 Base-Backbone interact. energy: -0.007 local terms energy: -29.349762 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -5.143 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: 2, replica: 1 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -89.734913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.734913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.734913 (E_RNA) where: Base-Base interactions energy: -66.212 where: short stacking energy: -25.621 Base-Backbone interact. energy: -0.002 local terms energy: -23.520644 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: 3.779 tors. eta vs tors. theta energy: -6.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -78.913216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.913216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.913216 (E_RNA) where: Base-Base interactions energy: -50.552 where: short stacking energy: -20.391 Base-Backbone interact. energy: -0.089 local terms energy: -28.272463 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -3.097 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: 7 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -85.980084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.980084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.980084 (E_RNA) where: Base-Base interactions energy: -63.031 where: short stacking energy: -24.587 Base-Backbone interact. energy: -0.000 local terms energy: -22.948235 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -5.219 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -1.703 tors. eta vs tors. theta energy: -5.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -77.547497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.547497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.547497 (E_RNA) where: Base-Base interactions energy: -46.490 where: short stacking energy: -18.932 Base-Backbone interact. energy: -0.074 local terms energy: -30.984025 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -6.087 tors. eta vs tors. theta energy: -4.877 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: 2 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -55.103917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.103917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.103917 (E_RNA) where: Base-Base interactions energy: -25.089 where: short stacking energy: -25.089 Base-Backbone interact. energy: -0.000 local terms energy: -30.015277 where: bonds (distance) C4'-P energy: -3.711 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -7.364 flat angles P-C4'-P energy: -4.723 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: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -46.778270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.778270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.778270 (E_RNA) where: Base-Base interactions energy: -20.029 where: short stacking energy: -20.029 Base-Backbone interact. energy: -0.084 local terms energy: -26.665254 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -3.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -40.232512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.232512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.232512 (E_RNA) where: Base-Base interactions energy: -13.455 where: short stacking energy: -12.442 Base-Backbone interact. energy: -0.005 local terms energy: -26.772226 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -5.732 tors. eta vs tors. theta energy: -1.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -38.651066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.651066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.651066 (E_RNA) where: Base-Base interactions energy: -15.533 where: short stacking energy: -15.533 Base-Backbone interact. energy: -0.000 local terms energy: -23.117796 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.395 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -46.147448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.147448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.147448 (E_RNA) where: Base-Base interactions energy: -27.641 where: short stacking energy: -27.641 Base-Backbone interact. energy: -0.011 local terms energy: -18.495647 where: bonds (distance) C4'-P energy: -3.798 bonds (distance) P-C4' energy: -3.589 flat angles C4'-P-C4' energy: -3.785 flat angles P-C4'-P energy: -2.947 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: 8 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -82.949820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.949820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.949820 (E_RNA) where: Base-Base interactions energy: -55.055 where: short stacking energy: -24.251 Base-Backbone interact. energy: -0.010 local terms energy: -27.885215 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -4.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -81.474440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.474440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.474440 (E_RNA) where: Base-Base interactions energy: -53.319 where: short stacking energy: -23.325 Base-Backbone interact. energy: -0.007 local terms energy: -28.148411 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -3.057 tors. eta vs tors. theta energy: -5.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -78.041127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.041127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.041127 (E_RNA) where: Base-Base interactions energy: -50.935 where: short stacking energy: -19.465 Base-Backbone interact. energy: 0.182 local terms energy: -27.287844 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -6.786 flat angles C4'-P-C4' energy: -7.234 flat angles P-C4'-P energy: -5.225 tors. eta vs tors. theta energy: -1.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -80.652072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.652072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.652072 (E_RNA) where: Base-Base interactions energy: -54.176 where: short stacking energy: -21.274 Base-Backbone interact. energy: -0.002 local terms energy: -26.474224 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -4.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -79.904180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.904180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.904180 (E_RNA) where: Base-Base interactions energy: -53.450 where: short stacking energy: -22.751 Base-Backbone interact. energy: 0.479 local terms energy: -26.933440 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -48.507471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.507471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.507471 (E_RNA) where: Base-Base interactions energy: -22.032 where: short stacking energy: -22.032 Base-Backbone interact. energy: -0.002 local terms energy: -26.473596 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -5.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -50.753563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.753563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.753563 (E_RNA) where: Base-Base interactions energy: -21.616 where: short stacking energy: -21.616 Base-Backbone interact. energy: -0.000 local terms energy: -29.137249 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -40.851138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.851138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.851138 (E_RNA) where: Base-Base interactions energy: -17.692 where: short stacking energy: -17.692 Base-Backbone interact. energy: -0.000 local terms energy: -23.158848 where: bonds (distance) C4'-P energy: -4.296 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -2.477 flat angles P-C4'-P energy: -5.422 tors. eta vs tors. theta energy: -3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -44.014602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.014602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.014602 (E_RNA) where: Base-Base interactions energy: -24.678 where: short stacking energy: -19.349 Base-Backbone interact. energy: -0.068 local terms energy: -19.267906 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: -2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -41.526189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.526189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.526189 (E_RNA) where: Base-Base interactions energy: -17.448 where: short stacking energy: -17.448 Base-Backbone interact. energy: -0.002 local terms energy: -24.075776 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -5.682 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: 1 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -96.349703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.349703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.349703 (E_RNA) where: Base-Base interactions energy: -72.355 where: short stacking energy: -28.037 Base-Backbone interact. energy: -0.001 local terms energy: -23.994187 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: 1.391 tors. eta vs tors. theta energy: -6.048 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: 8 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -85.906380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.906380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.906380 (E_RNA) where: Base-Base interactions energy: -58.469 where: short stacking energy: -20.804 Base-Backbone interact. energy: -0.000 local terms energy: -27.436588 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -2.392 tors. eta vs tors. theta energy: -4.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -83.068582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.068582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.068582 (E_RNA) where: Base-Base interactions energy: -56.136 where: short stacking energy: -25.215 Base-Backbone interact. energy: -0.000 local terms energy: -26.932405 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: -2.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -82.580248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.580248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.580248 (E_RNA) where: Base-Base interactions energy: -56.119 where: short stacking energy: -23.087 Base-Backbone interact. energy: -0.000 local terms energy: -26.460794 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -2.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -89.650871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.650871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.650871 (E_RNA) where: Base-Base interactions energy: -64.747 where: short stacking energy: -24.746 Base-Backbone interact. energy: -0.593 local terms energy: -24.311627 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.358 flat angles P-C4'-P energy: -1.068 tors. eta vs tors. theta energy: -5.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -46.032190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.032190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.032190 (E_RNA) where: Base-Base interactions energy: -22.450 where: short stacking energy: -22.450 Base-Backbone interact. energy: -0.003 local terms energy: -23.579034 where: bonds (distance) C4'-P energy: -4.651 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: -1.179 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: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -44.489538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.489538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.489538 (E_RNA) where: Base-Base interactions energy: -20.363 where: short stacking energy: -20.363 Base-Backbone interact. energy: -0.000 local terms energy: -24.126041 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.066 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -3.406 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: 8, replica: 2 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -47.282826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.282826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.282826 (E_RNA) where: Base-Base interactions energy: -20.463 where: short stacking energy: -20.463 Base-Backbone interact. energy: -0.000 local terms energy: -26.820156 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -2.411 tors. eta vs tors. theta energy: -6.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -52.722790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.722790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.722790 (E_RNA) where: Base-Base interactions energy: -28.206 where: short stacking energy: -21.041 Base-Backbone interact. energy: -0.001 local terms energy: -24.516703 where: bonds (distance) C4'-P energy: -1.712 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -6.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -38.597231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.597231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.597231 (E_RNA) where: Base-Base interactions energy: -16.749 where: short stacking energy: -16.749 Base-Backbone interact. energy: -0.040 local terms energy: -21.807757 where: bonds (distance) C4'-P energy: -4.429 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -89.122617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.122617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.122617 (E_RNA) where: Base-Base interactions energy: -60.430 where: short stacking energy: -19.636 Base-Backbone interact. energy: -0.342 local terms energy: -28.350675 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.847 flat angles P-C4'-P energy: -1.685 tors. eta vs tors. theta energy: -5.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -85.308789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.308789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.308789 (E_RNA) where: Base-Base interactions energy: -62.040 where: short stacking energy: -23.754 Base-Backbone interact. energy: -0.081 local terms energy: -23.186975 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: 0.564 tors. eta vs tors. theta energy: -5.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -82.069114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.069114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.069114 (E_RNA) where: Base-Base interactions energy: -54.613 where: short stacking energy: -23.627 Base-Backbone interact. energy: -0.001 local terms energy: -27.454881 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -91.011024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.011024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.011024 (E_RNA) where: Base-Base interactions energy: -68.523 where: short stacking energy: -26.426 Base-Backbone interact. energy: -0.490 local terms energy: -21.998673 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -0.928 tors. eta vs tors. theta energy: -2.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -79.202247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.202247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.202247 (E_RNA) where: Base-Base interactions energy: -51.915 where: short stacking energy: -21.349 Base-Backbone interact. energy: -0.000 local terms energy: -27.287028 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: -3.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -45.781887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.781887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.781887 (E_RNA) where: Base-Base interactions energy: -17.915 where: short stacking energy: -17.915 Base-Backbone interact. energy: -0.055 local terms energy: -27.811558 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -2.767 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: 7, replica: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -55.692680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.692680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.692680 (E_RNA) where: Base-Base interactions energy: -27.357 where: short stacking energy: -27.357 Base-Backbone interact. energy: -0.000 local terms energy: -28.336040 where: bonds (distance) C4'-P energy: -4.907 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -7.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -52.669943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.669943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.669943 (E_RNA) where: Base-Base interactions energy: -27.693 where: short stacking energy: -27.693 Base-Backbone interact. energy: -0.009 local terms energy: -24.967999 where: bonds (distance) C4'-P energy: -5.041 bonds (distance) P-C4' energy: -4.272 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -6.380 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: 2 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -39.674429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.674429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.674429 (E_RNA) where: Base-Base interactions energy: -19.237 where: short stacking energy: -19.237 Base-Backbone interact. energy: -0.002 local terms energy: -20.434940 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -2.455 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -0.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -46.704611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.704611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.704611 (E_RNA) where: Base-Base interactions energy: -25.375 where: short stacking energy: -6.557 Base-Backbone interact. energy: -0.103 local terms energy: -21.226905 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -1.599 tors. eta vs tors. theta energy: -1.826 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: 1 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -82.750591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.750591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.750591 (E_RNA) where: Base-Base interactions energy: -55.013 where: short stacking energy: -24.102 Base-Backbone interact. energy: -0.000 local terms energy: -27.737238 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -2.965 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: 2, replica: 4 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -79.822801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.822801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.822801 (E_RNA) where: Base-Base interactions energy: -56.053 where: short stacking energy: -21.895 Base-Backbone interact. energy: -0.000 local terms energy: -23.769963 where: bonds (distance) C4'-P energy: -4.436 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -4.650 flat angles P-C4'-P energy: -4.931 tors. eta vs tors. theta energy: -2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -83.903631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.903631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.903631 (E_RNA) where: Base-Base interactions energy: -61.458 where: short stacking energy: -24.757 Base-Backbone interact. energy: -0.000 local terms energy: -22.445256 where: bonds (distance) C4'-P energy: -5.314 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -3.657 flat angles P-C4'-P energy: -4.486 tors. eta vs tors. theta energy: -3.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -78.636176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.636176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.636176 (E_RNA) where: Base-Base interactions energy: -47.674 where: short stacking energy: -20.382 Base-Backbone interact. energy: -0.000 local terms energy: -30.962512 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -5.326 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: 5, replica: 9 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -80.925703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.925703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.925703 (E_RNA) where: Base-Base interactions energy: -59.553 where: short stacking energy: -23.008 Base-Backbone interact. energy: 0.088 local terms energy: -21.461208 where: bonds (distance) C4'-P energy: -5.988 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: 0.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -57.607407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.607407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.607407 (E_RNA) where: Base-Base interactions energy: -35.943 where: short stacking energy: -24.917 Base-Backbone interact. energy: -0.011 local terms energy: -21.653849 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -4.084 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -2.552 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: 7, replica: 10 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -75.381549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.381549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.381549 (E_RNA) where: Base-Base interactions energy: -56.318 where: short stacking energy: -18.453 Base-Backbone interact. energy: -0.003 local terms energy: -19.060636 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -3.066 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -0.409 tors. eta vs tors. theta energy: -4.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -42.390925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.390925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.390925 (E_RNA) where: Base-Base interactions energy: -23.387 where: short stacking energy: -16.943 Base-Backbone interact. energy: -0.000 local terms energy: -19.003402 where: bonds (distance) C4'-P energy: -2.937 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: -1.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -40.314674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.314674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.314674 (E_RNA) where: Base-Base interactions energy: -16.979 where: short stacking energy: -16.979 Base-Backbone interact. energy: -0.117 local terms energy: -23.218100 where: bonds (distance) C4'-P energy: -6.275 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -2.659 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: 10, replica: 3 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -48.643058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.643058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.643058 (E_RNA) where: Base-Base interactions energy: -23.320 where: short stacking energy: -23.320 Base-Backbone interact. energy: -0.001 local terms energy: -25.322050 where: bonds (distance) C4'-P energy: -2.676 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -4.751 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: 1 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -84.927350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.927350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.927350 (E_RNA) where: Base-Base interactions energy: -57.332 where: short stacking energy: -22.040 Base-Backbone interact. energy: -0.000 local terms energy: -27.595049 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -6.050 flat angles C4'-P-C4' energy: -6.164 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -86.278306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.278306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.278306 (E_RNA) where: Base-Base interactions energy: -65.678 where: short stacking energy: -26.455 Base-Backbone interact. energy: -0.015 local terms energy: -20.584997 where: bonds (distance) C4'-P energy: -5.604 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.843 flat angles P-C4'-P energy: 1.405 tors. eta vs tors. theta energy: -3.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -83.944545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.944545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.944545 (E_RNA) where: Base-Base interactions energy: -54.816 where: short stacking energy: -24.444 Base-Backbone interact. energy: -0.001 local terms energy: -29.128471 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -4.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -79.742881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.742881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.742881 (E_RNA) where: Base-Base interactions energy: -49.248 where: short stacking energy: -19.629 Base-Backbone interact. energy: -1.025 local terms energy: -29.469537 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -7.410 flat angles P-C4'-P energy: -4.608 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: 5, replica: 9 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -74.220011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.220011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.220011 (E_RNA) where: Base-Base interactions energy: -48.116 where: short stacking energy: -18.656 Base-Backbone interact. energy: -0.126 local terms energy: -25.978618 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -1.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -78.420467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.420467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.420467 (E_RNA) where: Base-Base interactions energy: -48.621 where: short stacking energy: -19.423 Base-Backbone interact. energy: -0.001 local terms energy: -29.798376 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -4.800 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: 6 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -49.098974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.098974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.098974 (E_RNA) where: Base-Base interactions energy: -23.662 where: short stacking energy: -17.154 Base-Backbone interact. energy: -0.045 local terms energy: -25.392002 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -52.530785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.530785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.530785 (E_RNA) where: Base-Base interactions energy: -27.720 where: short stacking energy: -18.137 Base-Backbone interact. energy: -0.000 local terms energy: -24.810504 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -1.844 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -35.149838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.149838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.149838 (E_RNA) where: Base-Base interactions energy: -13.486 where: short stacking energy: -13.486 Base-Backbone interact. energy: 0.532 local terms energy: -22.196089 where: bonds (distance) C4'-P energy: -4.920 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -2.881 tors. eta vs tors. theta energy: -0.219 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: 3 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -51.304611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.304611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.304611 (E_RNA) where: Base-Base interactions energy: -30.223 where: short stacking energy: -16.394 Base-Backbone interact. energy: -0.001 local terms energy: -21.079989 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.116 flat angles P-C4'-P energy: -2.649 tors. eta vs tors. theta energy: -4.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -89.924096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.924096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.924096 (E_RNA) where: Base-Base interactions energy: -64.870 where: short stacking energy: -24.669 Base-Backbone interact. energy: -0.010 local terms energy: -25.044007 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -0.596 tors. eta vs tors. theta energy: -4.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -83.241888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.241888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.241888 (E_RNA) where: Base-Base interactions energy: -56.562 where: short stacking energy: -23.644 Base-Backbone interact. energy: -0.000 local terms energy: -26.679414 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -3.355 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: 7 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -83.685526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.685526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.685526 (E_RNA) where: Base-Base interactions energy: -58.890 where: short stacking energy: -19.308 Base-Backbone interact. energy: -0.001 local terms energy: -24.794178 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -2.126 tors. eta vs tors. theta energy: -2.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -80.662512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.662512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.662512 (E_RNA) where: Base-Base interactions energy: -49.592 where: short stacking energy: -20.881 Base-Backbone interact. energy: -0.009 local terms energy: -31.062056 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: -4.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -80.165732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.165732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.165732 (E_RNA) where: Base-Base interactions energy: -53.346 where: short stacking energy: -22.589 Base-Backbone interact. energy: -0.002 local terms energy: -26.817732 where: bonds (distance) C4'-P energy: -4.519 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -4.584 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: 6, replica: 9 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -44.389274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.389274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.389274 (E_RNA) where: Base-Base interactions energy: -21.370 where: short stacking energy: -21.370 Base-Backbone interact. energy: -0.001 local terms energy: -23.018713 where: bonds (distance) C4'-P energy: -2.858 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -2.617 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -60.033708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.033708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.033708 (E_RNA) where: Base-Base interactions energy: -40.471 where: short stacking energy: -15.870 Base-Backbone interact. energy: -0.100 local terms energy: -19.462385 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -1.960 tors. eta vs tors. theta energy: -0.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -42.006680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.006680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.006680 (E_RNA) where: Base-Base interactions energy: -17.286 where: short stacking energy: -17.286 Base-Backbone interact. energy: -0.001 local terms energy: -24.719080 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -4.730 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -4.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -40.680828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.680828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.680828 (E_RNA) where: Base-Base interactions energy: -19.768 where: short stacking energy: -18.334 Base-Backbone interact. energy: -0.061 local terms energy: -20.852365 where: bonds (distance) C4'-P energy: -2.921 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -41.669873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.669873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.669873 (E_RNA) where: Base-Base interactions energy: -19.329 where: short stacking energy: -9.956 Base-Backbone interact. energy: -0.055 local terms energy: -22.285341 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: 0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -81.716379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.716379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.716379 (E_RNA) where: Base-Base interactions energy: -53.428 where: short stacking energy: -20.511 Base-Backbone interact. energy: -0.006 local terms energy: -28.282255 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -3.711 tors. eta vs tors. theta energy: -4.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -77.923389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.923389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.923389 (E_RNA) where: Base-Base interactions energy: -52.523 where: short stacking energy: -22.305 Base-Backbone interact. energy: -0.001 local terms energy: -25.400097 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.558 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -1.250 tors. eta vs tors. theta energy: -4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -83.050919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.050919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.050919 (E_RNA) where: Base-Base interactions energy: -59.093 where: short stacking energy: -23.258 Base-Backbone interact. energy: -0.001 local terms energy: -23.957202 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -6.078 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -75.485642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.485642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.485642 (E_RNA) where: Base-Base interactions energy: -48.419 where: short stacking energy: -20.413 Base-Backbone interact. energy: -0.299 local terms energy: -26.767734 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.005 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -2.527 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: 5, replica: 8 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -87.081054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.081054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.081054 (E_RNA) where: Base-Base interactions energy: -63.542 where: short stacking energy: -24.370 Base-Backbone interact. energy: -0.000 local terms energy: -23.538442 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -0.207 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: 6, replica: 5 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -47.190008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.190008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.190008 (E_RNA) where: Base-Base interactions energy: -22.953 where: short stacking energy: -22.953 Base-Backbone interact. energy: -0.057 local terms energy: -24.179761 where: bonds (distance) C4'-P energy: -4.900 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.094 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: -4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -46.617871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.617871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.617871 (E_RNA) where: Base-Base interactions energy: -19.868 where: short stacking energy: -19.868 Base-Backbone interact. energy: -0.000 local terms energy: -26.750285 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -4.695 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: 8, replica: 3 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -45.819466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.819466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.819466 (E_RNA) where: Base-Base interactions energy: -22.647 where: short stacking energy: -22.527 Base-Backbone interact. energy: -0.000 local terms energy: -23.172414 where: bonds (distance) C4'-P energy: -3.650 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.477 flat angles P-C4'-P energy: -3.182 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -36.931836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.931836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.931836 (E_RNA) where: Base-Base interactions energy: -16.869 where: short stacking energy: -16.869 Base-Backbone interact. energy: -0.006 local terms energy: -20.056402 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -0.807 tors. eta vs tors. theta energy: -0.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -40.746135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.746135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.746135 (E_RNA) where: Base-Base interactions energy: -16.869 where: short stacking energy: -16.869 Base-Backbone interact. energy: -0.165 local terms energy: -23.712089 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -1.552 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: 7 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -82.977491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.977491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.977491 (E_RNA) where: Base-Base interactions energy: -50.668 where: short stacking energy: -23.108 Base-Backbone interact. energy: -0.000 local terms energy: -32.309392 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: -6.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -84.721251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.721251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.721251 (E_RNA) where: Base-Base interactions energy: -57.480 where: short stacking energy: -22.708 Base-Backbone interact. energy: -0.001 local terms energy: -27.240240 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -1.858 tors. eta vs tors. theta energy: -5.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -81.402211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.402211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.402211 (E_RNA) where: Base-Base interactions energy: -55.551 where: short stacking energy: -22.652 Base-Backbone interact. energy: -0.086 local terms energy: -25.764540 where: bonds (distance) C4'-P energy: -3.969 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -5.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -86.657924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.657924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.657924 (E_RNA) where: Base-Base interactions energy: -57.917 where: short stacking energy: -20.721 Base-Backbone interact. energy: -0.257 local terms energy: -28.483486 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: -7.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -82.252154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.252154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.252154 (E_RNA) where: Base-Base interactions energy: -58.346 where: short stacking energy: -21.720 Base-Backbone interact. energy: -0.001 local terms energy: -23.905358 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -2.348 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -45.128499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.128499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.128499 (E_RNA) where: Base-Base interactions energy: -19.212 where: short stacking energy: -19.212 Base-Backbone interact. energy: -0.006 local terms energy: -25.910742 where: bonds (distance) C4'-P energy: -5.019 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -4.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -51.002652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.002652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.002652 (E_RNA) where: Base-Base interactions energy: -25.542 where: short stacking energy: -25.542 Base-Backbone interact. energy: -0.000 local terms energy: -25.460587 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -2.604 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: 8, replica: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -48.709747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.709747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.709747 (E_RNA) where: Base-Base interactions energy: -29.929 where: short stacking energy: -18.071 Base-Backbone interact. energy: -0.071 local terms energy: -18.709973 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -4.376 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -0.410 tors. eta vs tors. theta energy: -1.998 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: 2 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -41.046071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.046071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.046071 (E_RNA) where: Base-Base interactions energy: -17.582 where: short stacking energy: -17.582 Base-Backbone interact. energy: -0.004 local terms energy: -23.460059 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -3.377 tors. eta vs tors. theta energy: -3.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -42.668274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.668274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.668274 (E_RNA) where: Base-Base interactions energy: -17.889 where: short stacking energy: -17.989 Base-Backbone interact. energy: -0.042 local terms energy: -24.736958 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -86.961912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.961912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.961912 (E_RNA) where: Base-Base interactions energy: -61.765 where: short stacking energy: -17.398 Base-Backbone interact. energy: -0.029 local terms energy: -25.167789 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -1.609 tors. eta vs tors. theta energy: -4.947 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: 10 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -89.909701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.909701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.909701 (E_RNA) where: Base-Base interactions energy: -65.585 where: short stacking energy: -25.785 Base-Backbone interact. energy: 0.045 local terms energy: -24.369322 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -0.046 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -84.379447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.379447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.379447 (E_RNA) where: Base-Base interactions energy: -58.499 where: short stacking energy: -20.999 Base-Backbone interact. energy: -0.008 local terms energy: -25.872194 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -0.384 tors. eta vs tors. theta energy: -5.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -84.838694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.838694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.838694 (E_RNA) where: Base-Base interactions energy: -60.275 where: short stacking energy: -22.775 Base-Backbone interact. energy: -0.501 local terms energy: -24.062465 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -2.785 tors. eta vs tors. theta energy: -5.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -81.960128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.960128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.960128 (E_RNA) where: Base-Base interactions energy: -56.536 where: short stacking energy: -24.195 Base-Backbone interact. energy: -0.001 local terms energy: -25.423661 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.924 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -48.408475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.408475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.408475 (E_RNA) where: Base-Base interactions energy: -29.323 where: short stacking energy: -16.950 Base-Backbone interact. energy: 0.140 local terms energy: -19.225449 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -1.473 tors. eta vs tors. theta energy: 0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -69.002073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.002073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.002073 (E_RNA) where: Base-Base interactions energy: -46.514 where: short stacking energy: -10.366 Base-Backbone interact. energy: 0.167 local terms energy: -22.654955 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: 0.278 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: 8, replica: 2 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -43.678917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.678917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.678917 (E_RNA) where: Base-Base interactions energy: -20.445 where: short stacking energy: -20.445 Base-Backbone interact. energy: -0.000 local terms energy: -23.234367 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -4.222 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -3.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -48.645607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.645607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.645607 (E_RNA) where: Base-Base interactions energy: -23.916 where: short stacking energy: -23.916 Base-Backbone interact. energy: -0.000 local terms energy: -24.729937 where: bonds (distance) C4'-P energy: -4.263 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -6.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -42.125014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.125014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.125014 (E_RNA) where: Base-Base interactions energy: -18.350 where: short stacking energy: -18.350 Base-Backbone interact. energy: -0.133 local terms energy: -23.642006 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -1.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -85.929030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.929030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.929030 (E_RNA) where: Base-Base interactions energy: -67.108 where: short stacking energy: -24.431 Base-Backbone interact. energy: -0.000 local terms energy: -18.820757 where: bonds (distance) C4'-P energy: -4.544 bonds (distance) P-C4' energy: -4.554 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: 0.244 tors. eta vs tors. theta energy: -2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -80.456275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.456275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.456275 (E_RNA) where: Base-Base interactions energy: -57.312 where: short stacking energy: -24.572 Base-Backbone interact. energy: -0.514 local terms energy: -22.630660 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -2.409 flat angles P-C4'-P energy: -2.011 tors. eta vs tors. theta energy: -5.213 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: 3, replica: 1 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -79.717541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.717541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.717541 (E_RNA) where: Base-Base interactions energy: -52.345 where: short stacking energy: -22.024 Base-Backbone interact. energy: -0.002 local terms energy: -27.371288 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -2.846 tors. eta vs tors. theta energy: -5.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -86.827472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.827472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.827472 (E_RNA) where: Base-Base interactions energy: -67.697 where: short stacking energy: -25.147 Base-Backbone interact. energy: -0.082 local terms energy: -19.048187 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.710 flat angles P-C4'-P energy: 2.939 tors. eta vs tors. theta energy: -5.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -78.496139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.496139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.496139 (E_RNA) where: Base-Base interactions energy: -51.440 where: short stacking energy: -21.618 Base-Backbone interact. energy: -0.000 local terms energy: -27.056110 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -7.379 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -3.800 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: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -47.518456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.518456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.518456 (E_RNA) where: Base-Base interactions energy: -21.471 where: short stacking energy: -17.661 Base-Backbone interact. energy: -0.014 local terms energy: -26.033626 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -1.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -42.876981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.876981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.876981 (E_RNA) where: Base-Base interactions energy: -18.508 where: short stacking energy: -18.508 Base-Backbone interact. energy: -0.008 local terms energy: -24.361814 where: bonds (distance) C4'-P energy: -3.989 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -7.233 flat angles P-C4'-P energy: -5.075 tors. eta vs tors. theta energy: -1.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -43.792056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.792056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.792056 (E_RNA) where: Base-Base interactions energy: -18.815 where: short stacking energy: -18.815 Base-Backbone interact. energy: -0.000 local terms energy: -24.976682 where: bonds (distance) C4'-P energy: -4.900 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -44.370034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.370034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.370034 (E_RNA) where: Base-Base interactions energy: -21.386 where: short stacking energy: -21.386 Base-Backbone interact. energy: 1.951 local terms energy: -24.935183 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.459 flat angles C4'-P-C4' energy: -3.532 flat angles P-C4'-P energy: -3.044 tors. eta vs tors. theta energy: -6.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -39.594395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.594395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.594395 (E_RNA) where: Base-Base interactions energy: -12.104 where: short stacking energy: -12.104 Base-Backbone interact. energy: -0.005 local terms energy: -27.485019 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -2.568 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: 10 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -81.842022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.842022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.842022 (E_RNA) where: Base-Base interactions energy: -53.871 where: short stacking energy: -23.276 Base-Backbone interact. energy: -0.001 local terms energy: -27.970662 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -6.743 flat angles P-C4'-P energy: -4.541 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: 2, replica: 1 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -82.391336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.391336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.391336 (E_RNA) where: Base-Base interactions energy: -55.836 where: short stacking energy: -23.547 Base-Backbone interact. energy: 0.773 local terms energy: -27.328954 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -4.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -79.418672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.418672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.418672 (E_RNA) where: Base-Base interactions energy: -52.792 where: short stacking energy: -24.966 Base-Backbone interact. energy: -0.000 local terms energy: -26.626390 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -2.966 tors. eta vs tors. theta energy: -4.233 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: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -89.536682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.536682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.536682 (E_RNA) where: Base-Base interactions energy: -64.923 where: short stacking energy: -25.535 Base-Backbone interact. energy: -0.637 local terms energy: -23.976750 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -1.761 tors. eta vs tors. theta energy: -4.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -60.030098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.030098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.030098 (E_RNA) where: Base-Base interactions energy: -38.372 where: short stacking energy: -26.268 Base-Backbone interact. energy: -0.002 local terms energy: -21.656065 where: bonds (distance) C4'-P energy: -3.339 bonds (distance) P-C4' energy: -5.023 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -4.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -48.350660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.350660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.350660 (E_RNA) where: Base-Base interactions energy: -26.111 where: short stacking energy: -26.111 Base-Backbone interact. energy: -0.022 local terms energy: -22.217783 where: bonds (distance) C4'-P energy: -4.850 bonds (distance) P-C4' energy: -3.438 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -4.696 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: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -39.692805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.692805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.692805 (E_RNA) where: Base-Base interactions energy: -17.511 where: short stacking energy: -17.511 Base-Backbone interact. energy: -0.060 local terms energy: -22.120996 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -0.379 tors. eta vs tors. theta energy: -3.027 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: 6 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -41.404225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.404225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.404225 (E_RNA) where: Base-Base interactions energy: -18.410 where: short stacking energy: -14.250 Base-Backbone interact. energy: -0.072 local terms energy: -22.922958 where: bonds (distance) C4'-P energy: -3.633 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -5.574 tors. eta vs tors. theta energy: -0.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -46.768678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.768678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.768678 (E_RNA) where: Base-Base interactions energy: -24.373 where: short stacking energy: -24.373 Base-Backbone interact. energy: -0.000 local terms energy: -22.395246 where: bonds (distance) C4'-P energy: -4.217 bonds (distance) P-C4' energy: -4.692 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -4.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -37.472226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.472226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.472226 (E_RNA) where: Base-Base interactions energy: -19.670 where: short stacking energy: -19.670 Base-Backbone interact. energy: -0.000 local terms energy: -17.801450 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -4.892 flat angles P-C4'-P energy: 0.961 tors. eta vs tors. theta energy: -2.935 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: 10 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -85.651914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.651914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.651914 (E_RNA) where: Base-Base interactions energy: -63.565 where: short stacking energy: -21.275 Base-Backbone interact. energy: -0.001 local terms energy: -22.086178 where: bonds (distance) C4'-P energy: -3.480 bonds (distance) P-C4' energy: -5.846 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -5.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -81.656834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.656834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.656834 (E_RNA) where: Base-Base interactions energy: -54.418 where: short stacking energy: -23.558 Base-Backbone interact. energy: -0.000 local terms energy: -27.238176 where: bonds (distance) C4'-P energy: -5.016 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -6.742 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -4.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -89.132350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.132350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.132350 (E_RNA) where: Base-Base interactions energy: -64.206 where: short stacking energy: -28.147 Base-Backbone interact. energy: -0.010 local terms energy: -24.916316 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -1.023 tors. eta vs tors. theta energy: -6.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -78.452639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.452639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.452639 (E_RNA) where: Base-Base interactions energy: -55.836 where: short stacking energy: -19.808 Base-Backbone interact. energy: -0.296 local terms energy: -22.320668 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -4.626 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -1.547 tors. eta vs tors. theta energy: -5.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -54.452879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.452879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.452879 (E_RNA) where: Base-Base interactions energy: -25.945 where: short stacking energy: -25.945 Base-Backbone interact. energy: -0.000 local terms energy: -28.507371 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.565 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: -5.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -51.697177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.697177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.697177 (E_RNA) where: Base-Base interactions energy: -25.266 where: short stacking energy: -25.266 Base-Backbone interact. energy: -0.000 local terms energy: -26.431290 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -4.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -42.675904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.675904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.675904 (E_RNA) where: Base-Base interactions energy: -22.397 where: short stacking energy: -18.254 Base-Backbone interact. energy: -0.001 local terms energy: -20.277973 where: bonds (distance) C4'-P energy: -5.148 bonds (distance) P-C4' energy: -3.440 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -1.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -53.855111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.855111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.855111 (E_RNA) where: Base-Base interactions energy: -25.562 where: short stacking energy: -24.950 Base-Backbone interact. energy: 0.358 local terms energy: -28.651517 where: bonds (distance) C4'-P energy: -1.719 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -5.226 tors. eta vs tors. theta energy: -7.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -46.520578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.520578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.520578 (E_RNA) where: Base-Base interactions energy: -25.949 where: short stacking energy: -11.196 Base-Backbone interact. energy: -0.061 local terms energy: -20.511207 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -1.539 tors. eta vs tors. theta energy: -0.919 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: 5 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -38.572268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.572268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.572268 (E_RNA) where: Base-Base interactions energy: -17.298 where: short stacking energy: -17.298 Base-Backbone interact. energy: -0.058 local terms energy: -21.215599 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -2.485 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -1.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -87.738756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.738756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.738756 (E_RNA) where: Base-Base interactions energy: -61.295 where: short stacking energy: -23.928 Base-Backbone interact. energy: -0.066 local terms energy: -26.377674 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.126 flat angles P-C4'-P energy: -3.057 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: 2, replica: 4 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -80.152901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.152901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.152901 (E_RNA) where: Base-Base interactions energy: -52.137 where: short stacking energy: -23.498 Base-Backbone interact. energy: -0.031 local terms energy: -27.985226 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -3.600 tors. eta vs tors. theta energy: -5.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -81.568622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.568622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.568622 (E_RNA) where: Base-Base interactions energy: -52.831 where: short stacking energy: -23.648 Base-Backbone interact. energy: -0.001 local terms energy: -28.736712 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -5.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -78.545420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.545420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.545420 (E_RNA) where: Base-Base interactions energy: -50.835 where: short stacking energy: -21.250 Base-Backbone interact. energy: -0.001 local terms energy: -27.708884 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -4.171 flat angles P-C4'-P energy: -4.118 tors. eta vs tors. theta energy: -5.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -58.652597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.652597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.652597 (E_RNA) where: Base-Base interactions energy: -36.297 where: short stacking energy: -23.639 Base-Backbone interact. energy: -0.007 local terms energy: -22.348584 where: bonds (distance) C4'-P energy: -3.641 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.656 flat angles P-C4'-P energy: -2.616 tors. eta vs tors. theta energy: -3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -51.029687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.029687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.029687 (E_RNA) where: Base-Base interactions energy: -27.166 where: short stacking energy: -17.323 Base-Backbone interact. energy: -0.286 local terms energy: -23.578036 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -2.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -48.300698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.300698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.300698 (E_RNA) where: Base-Base interactions energy: -25.035 where: short stacking energy: -15.040 Base-Backbone interact. energy: -0.114 local terms energy: -23.151712 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -0.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -43.235627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.235627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.235627 (E_RNA) where: Base-Base interactions energy: -22.918 where: short stacking energy: -11.549 Base-Backbone interact. energy: -0.198 local terms energy: -20.119120 where: bonds (distance) C4'-P energy: -4.776 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -1.318 tors. eta vs tors. theta energy: -1.877 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: 9, replica: 3 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -49.174196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.174196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.174196 (E_RNA) where: Base-Base interactions energy: -23.630 where: short stacking energy: -23.630 Base-Backbone interact. energy: -0.000 local terms energy: -25.543806 where: bonds (distance) C4'-P energy: -4.275 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: -5.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -42.131825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.131825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.131825 (E_RNA) where: Base-Base interactions energy: -17.904 where: short stacking energy: -9.434 Base-Backbone interact. energy: -0.000 local terms energy: -24.227836 where: bonds (distance) C4'-P energy: -5.711 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -2.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -84.041975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.041975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.041975 (E_RNA) where: Base-Base interactions energy: -59.799 where: short stacking energy: -23.787 Base-Backbone interact. energy: -0.009 local terms energy: -24.234606 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -0.430 tors. eta vs tors. theta energy: -4.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -82.556268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.556268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.556268 (E_RNA) where: Base-Base interactions energy: -56.388 where: short stacking energy: -24.001 Base-Backbone interact. energy: -0.001 local terms energy: -26.167217 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -2.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -82.529141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.529141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.529141 (E_RNA) where: Base-Base interactions energy: -55.337 where: short stacking energy: -19.669 Base-Backbone interact. energy: -0.040 local terms energy: -27.152067 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -6.143 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -2.968 tors. eta vs tors. theta energy: -4.473 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: 4, replica: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -77.537711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.537711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.537711 (E_RNA) where: Base-Base interactions energy: -54.294 where: short stacking energy: -19.107 Base-Backbone interact. energy: -0.015 local terms energy: -23.228508 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -0.658 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -45.939466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.939466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.939466 (E_RNA) where: Base-Base interactions energy: -20.423 where: short stacking energy: -20.423 Base-Backbone interact. energy: -0.000 local terms energy: -25.516540 where: bonds (distance) C4'-P energy: -4.837 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -2.441 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: 6, replica: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -38.175392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.175392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.175392 (E_RNA) where: Base-Base interactions energy: -15.093 where: short stacking energy: -15.093 Base-Backbone interact. energy: -0.099 local terms energy: -22.983080 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -1.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -51.307056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.307056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.307056 (E_RNA) where: Base-Base interactions energy: -27.689 where: short stacking energy: -17.440 Base-Backbone interact. energy: -0.025 local terms energy: -23.593293 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.648 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -5.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -43.874383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.874383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.874383 (E_RNA) where: Base-Base interactions energy: -21.514 where: short stacking energy: -16.063 Base-Backbone interact. energy: -0.003 local terms energy: -22.356930 where: bonds (distance) C4'-P energy: -5.032 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -1.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -43.340570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.340570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.340570 (E_RNA) where: Base-Base interactions energy: -20.389 where: short stacking energy: -19.469 Base-Backbone interact. energy: -0.000 local terms energy: -22.951766 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -3.680 flat angles P-C4'-P energy: -1.638 tors. eta vs tors. theta energy: -4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -39.348502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.348502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.348502 (E_RNA) where: Base-Base interactions energy: -16.555 where: short stacking energy: -16.555 Base-Backbone interact. energy: -0.294 local terms energy: -22.499912 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -2.259 tors. eta vs tors. theta energy: -0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -92.105945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.105945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.105945 (E_RNA) where: Base-Base interactions energy: -70.156 where: short stacking energy: -25.064 Base-Backbone interact. energy: -0.001 local terms energy: -21.948630 where: bonds (distance) C4'-P energy: -4.436 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: 1.787 tors. eta vs tors. theta energy: -4.796 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: 69 Temperature: 0.950000 Total energy: -81.107357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.107357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.107357 (E_RNA) where: Base-Base interactions energy: -53.295 where: short stacking energy: -23.080 Base-Backbone interact. energy: -0.003 local terms energy: -27.809792 where: bonds (distance) C4'-P energy: -4.328 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -4.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -87.594979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.594979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.594979 (E_RNA) where: Base-Base interactions energy: -63.277 where: short stacking energy: -24.423 Base-Backbone interact. energy: -0.004 local terms energy: -24.314563 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -2.020 tors. eta vs tors. theta energy: -2.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -84.959326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.959326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.959326 (E_RNA) where: Base-Base interactions energy: -60.241 where: short stacking energy: -22.214 Base-Backbone interact. energy: -0.000 local terms energy: -24.717834 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -1.238 tors. eta vs tors. theta energy: -4.231 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: 6 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -85.556859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.556859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.556859 (E_RNA) where: Base-Base interactions energy: -62.747 where: short stacking energy: -24.227 Base-Backbone interact. energy: 0.544 local terms energy: -23.353272 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: 0.991 tors. eta vs tors. theta energy: -5.861 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: 9 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -46.703415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.703415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.703415 (E_RNA) where: Base-Base interactions energy: -23.222 where: short stacking energy: -23.222 Base-Backbone interact. energy: -0.000 local terms energy: -23.481409 where: bonds (distance) C4'-P energy: -4.092 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -1.529 tors. eta vs tors. theta energy: -4.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -49.160210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.160210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.160210 (E_RNA) where: Base-Base interactions energy: -25.853 where: short stacking energy: -25.853 Base-Backbone interact. energy: -0.003 local terms energy: -23.303686 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -2.602 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: 8, replica: 5 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -49.719502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.719502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.719502 (E_RNA) where: Base-Base interactions energy: -25.035 where: short stacking energy: -25.035 Base-Backbone interact. energy: -0.000 local terms energy: -24.684868 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -2.955 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -4.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -45.022666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.022666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.022666 (E_RNA) where: Base-Base interactions energy: -21.153 where: short stacking energy: -16.033 Base-Backbone interact. energy: -0.141 local terms energy: -23.729243 where: bonds (distance) C4'-P energy: -4.449 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -47.418735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.418735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.418735 (E_RNA) where: Base-Base interactions energy: -23.937 where: short stacking energy: -15.078 Base-Backbone interact. energy: -1.752 local terms energy: -21.729248 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -88.299776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.299776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.299776 (E_RNA) where: Base-Base interactions energy: -63.327 where: short stacking energy: -23.251 Base-Backbone interact. energy: -0.003 local terms energy: -24.969758 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -7.152 flat angles P-C4'-P energy: -0.479 tors. eta vs tors. theta energy: -3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -81.505473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.505473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.505473 (E_RNA) where: Base-Base interactions energy: -53.813 where: short stacking energy: -20.135 Base-Backbone interact. energy: 0.300 local terms energy: -27.992557 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -86.962131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.962131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.962131 (E_RNA) where: Base-Base interactions energy: -65.287 where: short stacking energy: -26.990 Base-Backbone interact. energy: -0.004 local terms energy: -21.671160 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -4.793 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: -3.576 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: 4, replica: 1 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -76.359592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.359592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.359592 (E_RNA) where: Base-Base interactions energy: -48.997 where: short stacking energy: -22.036 Base-Backbone interact. energy: -0.006 local terms energy: -27.356670 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -4.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -84.834266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.834266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.834266 (E_RNA) where: Base-Base interactions energy: -64.430 where: short stacking energy: -24.417 Base-Backbone interact. energy: -0.046 local terms energy: -20.358877 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: 0.610 tors. eta vs tors. theta energy: -1.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -41.914607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.914607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.914607 (E_RNA) where: Base-Base interactions energy: -18.956 where: short stacking energy: -18.956 Base-Backbone interact. energy: -0.001 local terms energy: -22.957058 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -0.271 tors. eta vs tors. theta energy: -5.609 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: 5 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -52.539268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.539268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.539268 (E_RNA) where: Base-Base interactions energy: -26.389 where: short stacking energy: -26.389 Base-Backbone interact. energy: -0.004 local terms energy: -26.146721 where: bonds (distance) C4'-P energy: -4.610 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -3.267 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -6.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -60.751365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.751365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.751365 (E_RNA) where: Base-Base interactions energy: -36.928 where: short stacking energy: -18.917 Base-Backbone interact. energy: -0.094 local terms energy: -23.729639 where: bonds (distance) C4'-P energy: -4.059 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -4.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -50.497806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.497806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.497806 (E_RNA) where: Base-Base interactions energy: -21.393 where: short stacking energy: -21.393 Base-Backbone interact. energy: -0.000 local terms energy: -29.104797 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -5.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -41.203524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.203524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.203524 (E_RNA) where: Base-Base interactions energy: -17.221 where: short stacking energy: -16.580 Base-Backbone interact. energy: -0.035 local terms energy: -23.948210 where: bonds (distance) C4'-P energy: -4.676 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -2.181 tors. eta vs tors. theta energy: -4.986 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: 1, replica: 4 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -91.349145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.349145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.349145 (E_RNA) where: Base-Base interactions energy: -69.069 where: short stacking energy: -25.985 Base-Backbone interact. energy: -0.012 local terms energy: -22.268538 where: bonds (distance) C4'-P energy: -3.840 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -0.904 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -86.668824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.668824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.668824 (E_RNA) where: Base-Base interactions energy: -65.622 where: short stacking energy: -22.234 Base-Backbone interact. energy: -0.013 local terms energy: -21.033464 where: bonds (distance) C4'-P energy: -5.433 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: 0.446 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -89.545980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.545980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.545980 (E_RNA) where: Base-Base interactions energy: -63.465 where: short stacking energy: -23.899 Base-Backbone interact. energy: -0.467 local terms energy: -25.613359 where: bonds (distance) C4'-P energy: -5.865 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -3.243 tors. eta vs tors. theta energy: -6.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -82.173195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.173195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.173195 (E_RNA) where: Base-Base interactions energy: -55.908 where: short stacking energy: -24.989 Base-Backbone interact. energy: -0.263 local terms energy: -26.002567 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -2.300 tors. eta vs tors. theta energy: -5.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -79.036414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.036414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.036414 (E_RNA) where: Base-Base interactions energy: -52.560 where: short stacking energy: -24.197 Base-Backbone interact. energy: -0.000 local terms energy: -26.475946 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -75.908162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.908162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.908162 (E_RNA) where: Base-Base interactions energy: -53.526 where: short stacking energy: -17.341 Base-Backbone interact. energy: -0.000 local terms energy: -22.381801 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -4.115 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: -3.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -50.263612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.263612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.263612 (E_RNA) where: Base-Base interactions energy: -27.001 where: short stacking energy: -27.001 Base-Backbone interact. energy: -0.000 local terms energy: -23.262162 where: bonds (distance) C4'-P energy: 1.326 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: -6.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -46.121815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.121815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.121815 (E_RNA) where: Base-Base interactions energy: -20.177 where: short stacking energy: -20.177 Base-Backbone interact. energy: -0.100 local terms energy: -25.844922 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -2.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -39.878997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.878997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.878997 (E_RNA) where: Base-Base interactions energy: -18.172 where: short stacking energy: -13.649 Base-Backbone interact. energy: -0.010 local terms energy: -21.697389 where: bonds (distance) C4'-P energy: -4.536 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: 0.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -41.120373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.120373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.120373 (E_RNA) where: Base-Base interactions energy: -16.040 where: short stacking energy: -16.040 Base-Backbone interact. energy: -0.022 local terms energy: -25.057756 where: bonds (distance) C4'-P energy: -4.866 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -96.396144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.396144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.396144 (E_RNA) where: Base-Base interactions energy: -75.969 where: short stacking energy: -30.126 Base-Backbone interact. energy: -0.005 local terms energy: -20.422800 where: bonds (distance) C4'-P energy: -4.192 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -6.636 flat angles P-C4'-P energy: 1.513 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -85.971571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.971571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.971571 (E_RNA) where: Base-Base interactions energy: -59.375 where: short stacking energy: -25.762 Base-Backbone interact. energy: -0.544 local terms energy: -26.052770 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -2.145 tors. eta vs tors. theta energy: -5.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -80.452076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.452076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.452076 (E_RNA) where: Base-Base interactions energy: -55.706 where: short stacking energy: -24.056 Base-Backbone interact. energy: -0.027 local terms energy: -24.718465 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -2.119 tors. eta vs tors. theta energy: -1.210 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: 4, replica: 7 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -83.907238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.907238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.907238 (E_RNA) where: Base-Base interactions energy: -54.703 where: short stacking energy: -25.202 Base-Backbone interact. energy: -0.015 local terms energy: -29.189601 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -2.237 tors. eta vs tors. theta energy: -7.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -81.020945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.020945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.020945 (E_RNA) where: Base-Base interactions energy: -54.217 where: short stacking energy: -28.842 Base-Backbone interact. energy: -0.000 local terms energy: -26.803730 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -5.065 tors. eta vs tors. theta energy: -2.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -84.100484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.100484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.100484 (E_RNA) where: Base-Base interactions energy: -60.527 where: short stacking energy: -20.553 Base-Backbone interact. energy: -0.399 local terms energy: -23.175091 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -0.205 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: 7, replica: 3 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -48.531314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.531314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.531314 (E_RNA) where: Base-Base interactions energy: -22.113 where: short stacking energy: -17.062 Base-Backbone interact. energy: -0.016 local terms energy: -26.403219 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: -4.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -42.311966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.311966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.311966 (E_RNA) where: Base-Base interactions energy: -19.490 where: short stacking energy: -18.231 Base-Backbone interact. energy: -0.039 local terms energy: -22.783078 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -3.305 tors. eta vs tors. theta energy: 0.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -46.876653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.876653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.876653 (E_RNA) where: Base-Base interactions energy: -25.250 where: short stacking energy: -19.664 Base-Backbone interact. energy: -0.066 local terms energy: -21.560586 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -4.184 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -1.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -38.667656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.667656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.667656 (E_RNA) where: Base-Base interactions energy: -15.819 where: short stacking energy: -11.960 Base-Backbone interact. energy: -1.518 local terms energy: -21.331113 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -4.636 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -2.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -93.937886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.937886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.937886 (E_RNA) where: Base-Base interactions energy: -70.290 where: short stacking energy: -26.187 Base-Backbone interact. energy: -0.065 local terms energy: -23.582849 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: 0.400 tors. eta vs tors. theta energy: -4.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -81.950309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.950309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.950309 (E_RNA) where: Base-Base interactions energy: -56.789 where: short stacking energy: -19.771 Base-Backbone interact. energy: 0.310 local terms energy: -25.471472 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -3.008 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: 3, replica: 6 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -83.267728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.267728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.267728 (E_RNA) where: Base-Base interactions energy: -60.410 where: short stacking energy: -25.098 Base-Backbone interact. energy: -0.006 local terms energy: -22.852218 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -1.790 tors. eta vs tors. theta energy: -1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -88.133285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.133285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.133285 (E_RNA) where: Base-Base interactions energy: -65.499 where: short stacking energy: -23.980 Base-Backbone interact. energy: -0.010 local terms energy: -22.624097 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -5.293 flat angles C4'-P-C4' energy: -5.729 flat angles P-C4'-P energy: -0.345 tors. eta vs tors. theta energy: -4.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -77.795246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.795246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.795246 (E_RNA) where: Base-Base interactions energy: -52.764 where: short stacking energy: -21.683 Base-Backbone interact. energy: -0.000 local terms energy: -25.031669 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -3.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -76.336493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.336493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.336493 (E_RNA) where: Base-Base interactions energy: -51.276 where: short stacking energy: -22.602 Base-Backbone interact. energy: 1.309 local terms energy: -26.369355 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: -4.682 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: 73 Temperature: 1.200000 Total energy: -49.163706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.163706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.163706 (E_RNA) where: Base-Base interactions energy: -24.768 where: short stacking energy: -22.954 Base-Backbone interact. energy: 0.147 local terms energy: -24.542509 where: bonds (distance) C4'-P energy: -1.688 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -37.484259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.484259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.484259 (E_RNA) where: Base-Base interactions energy: -15.445 where: short stacking energy: -15.281 Base-Backbone interact. energy: -0.399 local terms energy: -21.640054 where: bonds (distance) C4'-P energy: -4.333 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.121 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -4.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -46.894065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.894065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.894065 (E_RNA) where: Base-Base interactions energy: -22.770 where: short stacking energy: -14.792 Base-Backbone interact. energy: -0.066 local terms energy: -24.058354 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -0.694 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -42.240961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.240961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.240961 (E_RNA) where: Base-Base interactions energy: -19.798 where: short stacking energy: -17.576 Base-Backbone interact. energy: -0.053 local terms energy: -22.389926 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -1.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -96.523412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.523412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.523412 (E_RNA) where: Base-Base interactions energy: -73.520 where: short stacking energy: -28.845 Base-Backbone interact. energy: -0.011 local terms energy: -22.992094 where: bonds (distance) C4'-P energy: -5.604 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -0.401 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: 2, replica: 10 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -82.078103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.078103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.078103 (E_RNA) where: Base-Base interactions energy: -52.229 where: short stacking energy: -19.748 Base-Backbone interact. energy: -0.045 local terms energy: -29.803540 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -5.379 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: 6 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -86.064946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.064946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.064946 (E_RNA) where: Base-Base interactions energy: -62.240 where: short stacking energy: -20.989 Base-Backbone interact. energy: -0.002 local terms energy: -23.823306 where: bonds (distance) C4'-P energy: -4.031 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -0.245 tors. eta vs tors. theta energy: -6.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -79.552104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.552104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.552104 (E_RNA) where: Base-Base interactions energy: -51.449 where: short stacking energy: -22.264 Base-Backbone interact. energy: -0.003 local terms energy: -28.100302 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -4.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -81.927953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.927953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.927953 (E_RNA) where: Base-Base interactions energy: -53.436 where: short stacking energy: -23.633 Base-Backbone interact. energy: -0.003 local terms energy: -28.488586 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.392 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -6.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -73.644895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.644895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.644895 (E_RNA) where: Base-Base interactions energy: -46.031 where: short stacking energy: -16.567 Base-Backbone interact. energy: -0.541 local terms energy: -27.072517 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -5.489 tors. eta vs tors. theta energy: -2.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -39.285351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.285351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.285351 (E_RNA) where: Base-Base interactions energy: -17.823 where: short stacking energy: -17.823 Base-Backbone interact. energy: 0.215 local terms energy: -21.677113 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -2.771 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -2.331 tors. eta vs tors. theta energy: -4.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -47.712068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.712068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.712068 (E_RNA) where: Base-Base interactions energy: -23.031 where: short stacking energy: -23.031 Base-Backbone interact. energy: -0.000 local terms energy: -24.680746 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -5.717 flat angles C4'-P-C4' energy: -4.701 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -6.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -51.885191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.885191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.885191 (E_RNA) where: Base-Base interactions energy: -25.391 where: short stacking energy: -25.391 Base-Backbone interact. energy: -0.001 local terms energy: -26.492884 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -3.958 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: 74 Temperature: 1.350000 Total energy: -43.703514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.703514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.703514 (E_RNA) where: Base-Base interactions energy: -23.625 where: short stacking energy: -13.178 Base-Backbone interact. energy: -0.005 local terms energy: -20.073125 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: 2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -94.414256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.414256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.414256 (E_RNA) where: Base-Base interactions energy: -72.407 where: short stacking energy: -26.292 Base-Backbone interact. energy: -0.008 local terms energy: -21.999727 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -3.867 flat angles P-C4'-P energy: 0.574 tors. eta vs tors. theta energy: -5.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -86.510501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.510501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.510501 (E_RNA) where: Base-Base interactions energy: -60.032 where: short stacking energy: -23.595 Base-Backbone interact. energy: -0.010 local terms energy: -26.468529 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -3.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -90.163105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.163105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.163105 (E_RNA) where: Base-Base interactions energy: -66.562 where: short stacking energy: -23.695 Base-Backbone interact. energy: -0.003 local terms energy: -23.597898 where: bonds (distance) C4'-P energy: -5.695 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.891 flat angles P-C4'-P energy: 0.223 tors. eta vs tors. theta energy: -4.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -78.691836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.691836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.691836 (E_RNA) where: Base-Base interactions energy: -50.630 where: short stacking energy: -23.379 Base-Backbone interact. energy: -0.001 local terms energy: -28.060109 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -5.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -78.254153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.254153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.254153 (E_RNA) where: Base-Base interactions energy: -55.361 where: short stacking energy: -24.131 Base-Backbone interact. energy: -0.123 local terms energy: -22.770614 where: bonds (distance) C4'-P energy: -4.776 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.630 flat angles P-C4'-P energy: -2.284 tors. eta vs tors. theta energy: -5.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -51.897509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.897509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.897509 (E_RNA) where: Base-Base interactions energy: -25.506 where: short stacking energy: -25.506 Base-Backbone interact. energy: -0.011 local terms energy: -26.380834 where: bonds (distance) C4'-P energy: -4.961 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -4.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -74.600922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.600922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.600922 (E_RNA) where: Base-Base interactions energy: -49.241 where: short stacking energy: -20.104 Base-Backbone interact. energy: -0.092 local terms energy: -25.267280 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -46.153780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.153780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.153780 (E_RNA) where: Base-Base interactions energy: -17.285 where: short stacking energy: -17.285 Base-Backbone interact. energy: -0.007 local terms energy: -28.862446 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.031 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -6.252 tors. eta vs tors. theta energy: -4.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -33.067641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.067641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.067641 (E_RNA) where: Base-Base interactions energy: -13.474 where: short stacking energy: -13.474 Base-Backbone interact. energy: -0.172 local terms energy: -19.420958 where: bonds (distance) C4'-P energy: -2.805 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -1.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -36.891888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.891888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.891888 (E_RNA) where: Base-Base interactions energy: -16.302 where: short stacking energy: -16.302 Base-Backbone interact. energy: -0.108 local terms energy: -20.481849 where: bonds (distance) C4'-P energy: -4.357 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.180 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -1.807 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: 1, replica: 4 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -94.495920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.495920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.495920 (E_RNA) where: Base-Base interactions energy: -73.762 where: short stacking energy: -29.596 Base-Backbone interact. energy: -0.012 local terms energy: -20.722301 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: 0.353 tors. eta vs tors. theta energy: -3.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -81.138267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.138267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.138267 (E_RNA) where: Base-Base interactions energy: -53.657 where: short stacking energy: -23.911 Base-Backbone interact. energy: -0.005 local terms energy: -27.476266 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -95.950444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.950444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.950444 (E_RNA) where: Base-Base interactions energy: -75.835 where: short stacking energy: -29.968 Base-Backbone interact. energy: -0.008 local terms energy: -20.107104 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: 2.833 tors. eta vs tors. theta energy: -4.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -78.008308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.008308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.008308 (E_RNA) where: Base-Base interactions energy: -59.198 where: short stacking energy: -22.808 Base-Backbone interact. energy: 0.501 local terms energy: -19.311693 where: bonds (distance) C4'-P energy: -4.883 bonds (distance) P-C4' energy: -3.979 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -0.150 tors. eta vs tors. theta energy: -4.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -52.337335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.337335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.337335 (E_RNA) where: Base-Base interactions energy: -26.399 where: short stacking energy: -24.076 Base-Backbone interact. energy: -0.006 local terms energy: -25.932925 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -0.732 tors. eta vs tors. theta energy: -5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -75.474115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.474115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.474115 (E_RNA) where: Base-Base interactions energy: -48.294 where: short stacking energy: -26.783 Base-Backbone interact. energy: -0.000 local terms energy: -27.179726 where: bonds (distance) C4'-P energy: -5.259 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -3.649 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -6.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -59.472859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.472859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.472859 (E_RNA) where: Base-Base interactions energy: -41.231 where: short stacking energy: -13.236 Base-Backbone interact. energy: -0.039 local terms energy: -18.203699 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -2.556 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: 1.655 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: 8, replica: 8 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -50.626188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.626188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.626188 (E_RNA) where: Base-Base interactions energy: -27.303 where: short stacking energy: -17.151 Base-Backbone interact. energy: -0.213 local terms energy: -23.110281 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: -0.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -41.829927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.829927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.829927 (E_RNA) where: Base-Base interactions energy: -18.150 where: short stacking energy: -18.150 Base-Backbone interact. energy: -0.001 local terms energy: -23.679837 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -2.833 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -5.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -40.038370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.038370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.038370 (E_RNA) where: Base-Base interactions energy: -16.433 where: short stacking energy: -16.433 Base-Backbone interact. energy: -0.000 local terms energy: -23.604893 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -2.303 flat angles P-C4'-P energy: -4.882 tors. eta vs tors. theta energy: -3.973 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: 77 Temperature: 0.900000 Total energy: -95.241335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.241335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.241335 (E_RNA) where: Base-Base interactions energy: -72.711 where: short stacking energy: -27.886 Base-Backbone interact. energy: -0.011 local terms energy: -22.519249 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -7.136 flat angles P-C4'-P energy: 1.444 tors. eta vs tors. theta energy: -3.198 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: 77 Temperature: 0.950000 Total energy: -96.074047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.074047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.074047 (E_RNA) where: Base-Base interactions energy: -71.710 where: short stacking energy: -27.971 Base-Backbone interact. energy: -0.011 local terms energy: -24.352552 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: 0.164 tors. eta vs tors. theta energy: -5.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -85.935957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.935957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.935957 (E_RNA) where: Base-Base interactions energy: -63.127 where: short stacking energy: -26.102 Base-Backbone interact. energy: -0.003 local terms energy: -22.805300 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: 1.196 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: 4, replica: 5 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -80.590451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.590451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.590451 (E_RNA) where: Base-Base interactions energy: -49.610 where: short stacking energy: -19.935 Base-Backbone interact. energy: -0.051 local terms energy: -30.929574 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -6.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -49.912631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.912631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.912631 (E_RNA) where: Base-Base interactions energy: -24.315 where: short stacking energy: -18.806 Base-Backbone interact. energy: -0.036 local terms energy: -25.562200 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -7.678 flat angles P-C4'-P energy: -4.297 tors. eta vs tors. theta energy: -1.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -45.850563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.850563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.850563 (E_RNA) where: Base-Base interactions energy: -20.856 where: short stacking energy: -15.338 Base-Backbone interact. energy: -0.202 local terms energy: -24.793436 where: bonds (distance) C4'-P energy: -3.294 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -5.074 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: 7, replica: 7 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -45.739559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.739559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.739559 (E_RNA) where: Base-Base interactions energy: -24.709 where: short stacking energy: -14.176 Base-Backbone interact. energy: -0.106 local terms energy: -20.924682 where: bonds (distance) C4'-P energy: -3.853 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -0.304 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: 9 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -43.225411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.225411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.225411 (E_RNA) where: Base-Base interactions energy: -17.655 where: short stacking energy: -17.655 Base-Backbone interact. energy: 0.466 local terms energy: -26.036181 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.315 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -5.802 tors. eta vs tors. theta energy: -2.569 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: 9, replica: 8 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -46.527391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.527391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.527391 (E_RNA) where: Base-Base interactions energy: -20.143 where: short stacking energy: -20.143 Base-Backbone interact. energy: -0.001 local terms energy: -26.382754 where: bonds (distance) C4'-P energy: -5.231 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -3.519 tors. eta vs tors. theta energy: -4.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -32.918642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.918642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.918642 (E_RNA) where: Base-Base interactions energy: -11.255 where: short stacking energy: -11.255 Base-Backbone interact. energy: -0.050 local terms energy: -21.613058 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: 0.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -96.371455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.371455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.371455 (E_RNA) where: Base-Base interactions energy: -73.282 where: short stacking energy: -26.786 Base-Backbone interact. energy: -0.096 local terms energy: -22.993835 where: bonds (distance) C4'-P energy: -2.784 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -2.199 tors. eta vs tors. theta energy: -5.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -97.881319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.881319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.881319 (E_RNA) where: Base-Base interactions energy: -75.872 where: short stacking energy: -29.730 Base-Backbone interact. energy: -0.002 local terms energy: -22.007036 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.994 flat angles C4'-P-C4' energy: -5.250 flat angles P-C4'-P energy: 0.757 tors. eta vs tors. theta energy: -3.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -90.112729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.112729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.112729 (E_RNA) where: Base-Base interactions energy: -68.470 where: short stacking energy: -26.190 Base-Backbone interact. energy: -0.191 local terms energy: -21.451826 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: 1.002 tors. eta vs tors. theta energy: -4.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -84.734544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.734544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.734544 (E_RNA) where: Base-Base interactions energy: -58.687 where: short stacking energy: -20.020 Base-Backbone interact. energy: -0.002 local terms energy: -26.045474 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -56.909890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.909890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.909890 (E_RNA) where: Base-Base interactions energy: -34.106 where: short stacking energy: -19.655 Base-Backbone interact. energy: -0.001 local terms energy: -22.803233 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -1.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -49.087755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.087755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.087755 (E_RNA) where: Base-Base interactions energy: -20.305 where: short stacking energy: -20.305 Base-Backbone interact. energy: -0.211 local terms energy: -28.572222 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -4.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -48.607148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.607148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.607148 (E_RNA) where: Base-Base interactions energy: -30.325 where: short stacking energy: -13.954 Base-Backbone interact. energy: -0.048 local terms energy: -18.233602 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -4.331 flat angles P-C4'-P energy: -3.049 tors. eta vs tors. theta energy: 2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -45.622704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.622704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.622704 (E_RNA) where: Base-Base interactions energy: -19.178 where: short stacking energy: -19.178 Base-Backbone interact. energy: -0.000 local terms energy: -26.444771 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -3.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -40.713440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.713440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.713440 (E_RNA) where: Base-Base interactions energy: -17.888 where: short stacking energy: -12.640 Base-Backbone interact. energy: -0.049 local terms energy: -22.776572 where: bonds (distance) C4'-P energy: -3.890 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -0.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -45.312234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.312234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.312234 (E_RNA) where: Base-Base interactions energy: -19.105 where: short stacking energy: -19.105 Base-Backbone interact. energy: -0.001 local terms energy: -26.205730 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -95.729864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.729864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.729864 (E_RNA) where: Base-Base interactions energy: -72.340 where: short stacking energy: -27.200 Base-Backbone interact. energy: -0.000 local terms energy: -23.389620 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: 1.281 tors. eta vs tors. theta energy: -4.887 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: 79 Temperature: 0.950000 Total energy: -85.074909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.074909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.074909 (E_RNA) where: Base-Base interactions energy: -59.563 where: short stacking energy: -22.595 Base-Backbone interact. energy: -0.054 local terms energy: -25.457983 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -5.685 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -2.879 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: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -90.389551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.389551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.389551 (E_RNA) where: Base-Base interactions energy: -69.088 where: short stacking energy: -28.091 Base-Backbone interact. energy: -0.037 local terms energy: -21.265184 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -3.715 flat angles P-C4'-P energy: 0.391 tors. eta vs tors. theta energy: -4.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -92.269558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.269558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.269558 (E_RNA) where: Base-Base interactions energy: -67.939 where: short stacking energy: -25.408 Base-Backbone interact. energy: -0.014 local terms energy: -24.317226 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -0.685 tors. eta vs tors. theta energy: -2.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -56.013394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.013394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.013394 (E_RNA) where: Base-Base interactions energy: -28.002 where: short stacking energy: -28.002 Base-Backbone interact. energy: -0.000 local terms energy: -28.011194 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -3.114 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: 6, replica: 9 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -50.407755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.407755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.407755 (E_RNA) where: Base-Base interactions energy: -24.608 where: short stacking energy: -24.608 Base-Backbone interact. energy: -0.000 local terms energy: -25.799816 where: bonds (distance) C4'-P energy: -4.271 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.592 flat angles P-C4'-P energy: -2.745 tors. eta vs tors. theta energy: -5.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -49.058309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.058309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.058309 (E_RNA) where: Base-Base interactions energy: -20.326 where: short stacking energy: -20.326 Base-Backbone interact. energy: -0.078 local terms energy: -28.654191 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.390 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -6.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -49.760763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.760763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.760763 (E_RNA) where: Base-Base interactions energy: -31.076 where: short stacking energy: -16.845 Base-Backbone interact. energy: -0.184 local terms energy: -18.500712 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -2.220 tors. eta vs tors. theta energy: -2.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -47.977526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.977526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.977526 (E_RNA) where: Base-Base interactions energy: -20.663 where: short stacking energy: -11.426 Base-Backbone interact. energy: -0.003 local terms energy: -27.311120 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -4.915 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -43.558129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.558129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.558129 (E_RNA) where: Base-Base interactions energy: -19.643 where: short stacking energy: -15.789 Base-Backbone interact. energy: -0.003 local terms energy: -23.912159 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -5.948 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -1.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -85.131678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.131678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.131678 (E_RNA) where: Base-Base interactions energy: -56.774 where: short stacking energy: -19.164 Base-Backbone interact. energy: 0.136 local terms energy: -28.493453 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -2.054 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: 6 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -93.836851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.836851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.836851 (E_RNA) where: Base-Base interactions energy: -74.452 where: short stacking energy: -28.613 Base-Backbone interact. energy: -0.005 local terms energy: -19.379896 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: 2.722 tors. eta vs tors. theta energy: -4.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -84.594349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.594349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.594349 (E_RNA) where: Base-Base interactions energy: -59.562 where: short stacking energy: -23.682 Base-Backbone interact. energy: -0.331 local terms energy: -24.702279 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -1.194 tors. eta vs tors. theta energy: -5.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -86.574663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.574663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.574663 (E_RNA) where: Base-Base interactions energy: -63.151 where: short stacking energy: -26.290 Base-Backbone interact. energy: -0.111 local terms energy: -23.312251 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -7.443 flat angles P-C4'-P energy: -0.084 tors. eta vs tors. theta energy: -2.824 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: 5, replica: 9 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -48.531338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.531338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.531338 (E_RNA) where: Base-Base interactions energy: -18.453 where: short stacking energy: -18.453 Base-Backbone interact. energy: -0.000 local terms energy: -30.078139 where: bonds (distance) C4'-P energy: -6.117 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -5.454 tors. eta vs tors. theta energy: -4.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -49.100969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.100969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.100969 (E_RNA) where: Base-Base interactions energy: -25.646 where: short stacking energy: -16.980 Base-Backbone interact. energy: -0.000 local terms energy: -23.455042 where: bonds (distance) C4'-P energy: -5.881 bonds (distance) P-C4' energy: -6.091 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -0.721 tors. eta vs tors. theta energy: -4.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -46.300539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.300539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.300539 (E_RNA) where: Base-Base interactions energy: -25.714 where: short stacking energy: -25.714 Base-Backbone interact. energy: -0.000 local terms energy: -20.586015 where: bonds (distance) C4'-P energy: -1.616 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -3.246 tors. eta vs tors. theta energy: -4.492 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: 3 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -48.034908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.034908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.034908 (E_RNA) where: Base-Base interactions energy: -22.410 where: short stacking energy: -22.410 Base-Backbone interact. energy: -0.000 local terms energy: -25.624889 where: bonds (distance) C4'-P energy: -2.076 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -3.246 tors. eta vs tors. theta energy: -8.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -47.272542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.272542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.272542 (E_RNA) where: Base-Base interactions energy: -21.002 where: short stacking energy: -13.900 Base-Backbone interact. energy: 0.159 local terms energy: -26.429208 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -37.472788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.472788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.472788 (E_RNA) where: Base-Base interactions energy: -15.841 where: short stacking energy: -12.539 Base-Backbone interact. energy: -0.023 local terms energy: -21.609422 where: bonds (distance) C4'-P energy: -3.820 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: 0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -85.468967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.468967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.468967 (E_RNA) where: Base-Base interactions energy: -58.724 where: short stacking energy: -24.053 Base-Backbone interact. energy: 0.257 local terms energy: -27.001777 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -82.245360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.245360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.245360 (E_RNA) where: Base-Base interactions energy: -56.564 where: short stacking energy: -18.814 Base-Backbone interact. energy: -0.025 local terms energy: -25.656286 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.123 flat angles P-C4'-P energy: -1.728 tors. eta vs tors. theta energy: -4.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -88.973263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.973263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.973263 (E_RNA) where: Base-Base interactions energy: -68.960 where: short stacking energy: -28.370 Base-Backbone interact. energy: -0.027 local terms energy: -19.986150 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -0.497 tors. eta vs tors. theta energy: -1.819 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: 4, replica: 9 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -54.550372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.550372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.550372 (E_RNA) where: Base-Base interactions energy: -26.879 where: short stacking energy: -26.879 Base-Backbone interact. energy: -0.009 local terms energy: -27.662067 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -4.282 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: 5, replica: 4 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -76.412666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.412666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.412666 (E_RNA) where: Base-Base interactions energy: -51.529 where: short stacking energy: -20.441 Base-Backbone interact. energy: -0.080 local terms energy: -24.804174 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.375 flat angles P-C4'-P energy: -4.468 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: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -56.073252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.073252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.073252 (E_RNA) where: Base-Base interactions energy: -28.104 where: short stacking energy: -28.104 Base-Backbone interact. energy: -0.000 local terms energy: -27.968974 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -5.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -51.912245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.912245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.912245 (E_RNA) where: Base-Base interactions energy: -28.663 where: short stacking energy: -17.981 Base-Backbone interact. energy: -0.000 local terms energy: -23.249412 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.876 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -2.613 tors. eta vs tors. theta energy: -1.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -43.271904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.271904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.271904 (E_RNA) where: Base-Base interactions energy: -19.132 where: short stacking energy: -19.132 Base-Backbone interact. energy: -0.008 local terms energy: -24.131809 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.354 flat angles P-C4'-P energy: -3.706 tors. eta vs tors. theta energy: -3.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -47.653591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.653591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.653591 (E_RNA) where: Base-Base interactions energy: -28.448 where: short stacking energy: -13.717 Base-Backbone interact. energy: -0.069 local terms energy: -19.137359 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -1.404 tors. eta vs tors. theta energy: -2.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -40.646340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.646340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.646340 (E_RNA) where: Base-Base interactions energy: -19.113 where: short stacking energy: -19.113 Base-Backbone interact. energy: -0.012 local terms energy: -21.521778 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -2.723 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -2.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -87.541054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.541054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.541054 (E_RNA) where: Base-Base interactions energy: -58.956 where: short stacking energy: -26.842 Base-Backbone interact. energy: -0.000 local terms energy: -28.585000 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -2.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -83.902621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.902621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.902621 (E_RNA) where: Base-Base interactions energy: -61.858 where: short stacking energy: -24.511 Base-Backbone interact. energy: -0.003 local terms energy: -22.041417 where: bonds (distance) C4'-P energy: -5.479 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -0.608 tors. eta vs tors. theta energy: -3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -70.662249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.662249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.662249 (E_RNA) where: Base-Base interactions energy: -42.072 where: short stacking energy: -21.209 Base-Backbone interact. energy: -0.000 local terms energy: -28.590243 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -4.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -86.811502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.811502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.811502 (E_RNA) where: Base-Base interactions energy: -64.263 where: short stacking energy: -25.818 Base-Backbone interact. energy: 0.088 local terms energy: -22.636516 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.706 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: 1.108 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -52.849661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.849661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.849661 (E_RNA) where: Base-Base interactions energy: -23.458 where: short stacking energy: -23.458 Base-Backbone interact. energy: -0.000 local terms energy: -29.391833 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -6.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -53.632952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.632952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.632952 (E_RNA) where: Base-Base interactions energy: -26.189 where: short stacking energy: -24.583 Base-Backbone interact. energy: -0.000 local terms energy: -27.444002 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -5.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -49.895444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.895444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.895444 (E_RNA) where: Base-Base interactions energy: -18.540 where: short stacking energy: -18.540 Base-Backbone interact. energy: -0.010 local terms energy: -31.345476 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -5.830 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: 8, replica: 1 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -47.598047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.598047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.598047 (E_RNA) where: Base-Base interactions energy: -23.172 where: short stacking energy: -23.172 Base-Backbone interact. energy: -0.000 local terms energy: -24.425944 where: bonds (distance) C4'-P energy: -3.398 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -4.047 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: 9, replica: 7 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -40.702641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.702641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.702641 (E_RNA) where: Base-Base interactions energy: -15.894 where: short stacking energy: -15.894 Base-Backbone interact. energy: -0.086 local terms energy: -24.721869 where: bonds (distance) C4'-P energy: -6.816 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: 0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -41.869448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.869448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.869448 (E_RNA) where: Base-Base interactions energy: -18.338 where: short stacking energy: -18.338 Base-Backbone interact. energy: -0.000 local terms energy: -23.530842 where: bonds (distance) C4'-P energy: -3.095 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -3.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -86.236492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.236492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.236492 (E_RNA) where: Base-Base interactions energy: -65.499 where: short stacking energy: -24.986 Base-Backbone interact. energy: -0.014 local terms energy: -20.723326 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: 0.151 tors. eta vs tors. theta energy: -3.791 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: 9 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -91.756871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.756871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.756871 (E_RNA) where: Base-Base interactions energy: -68.335 where: short stacking energy: -26.409 Base-Backbone interact. energy: -0.009 local terms energy: -23.413395 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -1.087 tors. eta vs tors. theta energy: -5.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -84.383277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.383277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.383277 (E_RNA) where: Base-Base interactions energy: -58.091 where: short stacking energy: -20.921 Base-Backbone interact. energy: -0.002 local terms energy: -26.289699 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -1.806 tors. eta vs tors. theta energy: -3.568 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: 6 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -87.069383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.069383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.069383 (E_RNA) where: Base-Base interactions energy: -62.694 where: short stacking energy: -22.697 Base-Backbone interact. energy: -0.001 local terms energy: -24.373921 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -1.594 tors. eta vs tors. theta energy: -4.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -58.466406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.466406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.466406 (E_RNA) where: Base-Base interactions energy: -26.260 where: short stacking energy: -26.260 Base-Backbone interact. energy: -0.000 local terms energy: -32.206561 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -5.562 tors. eta vs tors. theta energy: -6.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -75.883727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.883727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.883727 (E_RNA) where: Base-Base interactions energy: -56.389 where: short stacking energy: -20.706 Base-Backbone interact. energy: -0.004 local terms energy: -19.491346 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: 0.383 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -51.618966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.618966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.618966 (E_RNA) where: Base-Base interactions energy: -26.834 where: short stacking energy: -16.764 Base-Backbone interact. energy: -0.001 local terms energy: -24.784207 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.005 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -40.624574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.624574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.624574 (E_RNA) where: Base-Base interactions energy: -16.482 where: short stacking energy: -16.482 Base-Backbone interact. energy: -0.002 local terms energy: -24.140789 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -7.237 flat angles P-C4'-P energy: -3.965 tors. eta vs tors. theta energy: -1.196 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: 1 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -43.215942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.215942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.215942 (E_RNA) where: Base-Base interactions energy: -15.326 where: short stacking energy: -15.326 Base-Backbone interact. energy: -0.001 local terms energy: -27.889173 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -3.473 tors. eta vs tors. theta energy: -4.491 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: 10, replica: 3 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -42.869508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.869508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.869508 (E_RNA) where: Base-Base interactions energy: -23.856 where: short stacking energy: -14.957 Base-Backbone interact. energy: -0.098 local terms energy: -18.915162 where: bonds (distance) C4'-P energy: -5.496 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.776 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: 0.730 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: 84 Temperature: 0.900000 Total energy: -89.654021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.654021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.654021 (E_RNA) where: Base-Base interactions energy: -67.379 where: short stacking energy: -25.204 Base-Backbone interact. energy: -0.795 local terms energy: -21.479748 where: bonds (distance) C4'-P energy: -4.415 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -2.198 flat angles P-C4'-P energy: -2.505 tors. eta vs tors. theta energy: -5.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -84.699322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.699322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.699322 (E_RNA) where: Base-Base interactions energy: -57.201 where: short stacking energy: -20.367 Base-Backbone interact. energy: -0.006 local terms energy: -27.492685 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -89.378579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.378579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.378579 (E_RNA) where: Base-Base interactions energy: -62.115 where: short stacking energy: -19.524 Base-Backbone interact. energy: -0.053 local terms energy: -27.210610 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -3.033 tors. eta vs tors. theta energy: -6.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -83.985404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.985404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.985404 (E_RNA) where: Base-Base interactions energy: -64.660 where: short stacking energy: -25.830 Base-Backbone interact. energy: -0.000 local terms energy: -19.324826 where: bonds (distance) C4'-P energy: -3.160 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: 0.835 tors. eta vs tors. theta energy: -4.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -75.676207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.676207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.676207 (E_RNA) where: Base-Base interactions energy: -50.841 where: short stacking energy: -20.481 Base-Backbone interact. energy: -0.024 local terms energy: -24.810761 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -5.910 tors. eta vs tors. theta energy: -1.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -43.330032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.330032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.330032 (E_RNA) where: Base-Base interactions energy: -19.832 where: short stacking energy: -19.832 Base-Backbone interact. energy: -0.071 local terms energy: -23.427814 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -5.056 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -1.876 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: 7 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -50.781145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.781145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.781145 (E_RNA) where: Base-Base interactions energy: -20.364 where: short stacking energy: -20.364 Base-Backbone interact. energy: -0.000 local terms energy: -30.417334 where: bonds (distance) C4'-P energy: -4.676 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: -8.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -41.018841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.018841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.018841 (E_RNA) where: Base-Base interactions energy: -16.476 where: short stacking energy: -16.476 Base-Backbone interact. energy: -0.073 local terms energy: -24.470301 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -2.613 tors. eta vs tors. theta energy: -2.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -43.307203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.307203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.307203 (E_RNA) where: Base-Base interactions energy: -21.746 where: short stacking energy: -21.746 Base-Backbone interact. energy: -0.000 local terms energy: -21.560932 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.768 flat angles C4'-P-C4' energy: -4.783 flat angles P-C4'-P energy: -2.878 tors. eta vs tors. theta energy: -5.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -42.792206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.792206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.792206 (E_RNA) where: Base-Base interactions energy: -21.551 where: short stacking energy: -21.551 Base-Backbone interact. energy: -0.000 local terms energy: -21.240568 where: bonds (distance) C4'-P energy: -5.054 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: 1.008 tors. eta vs tors. theta energy: -6.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -92.996141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.996141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.996141 (E_RNA) where: Base-Base interactions energy: -66.431 where: short stacking energy: -26.862 Base-Backbone interact. energy: -0.002 local terms energy: -26.563242 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -1.536 tors. eta vs tors. theta energy: -5.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -86.382626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.382626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.382626 (E_RNA) where: Base-Base interactions energy: -65.724 where: short stacking energy: -25.280 Base-Backbone interact. energy: -0.169 local terms energy: -20.489966 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: 2.448 tors. eta vs tors. theta energy: -2.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -83.457570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.457570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.457570 (E_RNA) where: Base-Base interactions energy: -58.962 where: short stacking energy: -22.543 Base-Backbone interact. energy: -0.004 local terms energy: -24.491400 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -3.711 tors. eta vs tors. theta energy: -3.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -80.582372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.582372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.582372 (E_RNA) where: Base-Base interactions energy: -51.486 where: short stacking energy: -22.622 Base-Backbone interact. energy: -0.001 local terms energy: -29.095398 where: bonds (distance) C4'-P energy: -5.421 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -5.101 tors. eta vs tors. theta energy: -6.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -77.934121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.934121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.934121 (E_RNA) where: Base-Base interactions energy: -55.421 where: short stacking energy: -26.056 Base-Backbone interact. energy: -0.000 local terms energy: -22.512528 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -3.450 flat angles P-C4'-P energy: -2.145 tors. eta vs tors. theta energy: -5.241 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: 7 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -50.895301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.895301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.895301 (E_RNA) where: Base-Base interactions energy: -27.965 where: short stacking energy: -18.165 Base-Backbone interact. energy: -0.098 local terms energy: -22.831536 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -1.505 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -43.411445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.411445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.411445 (E_RNA) where: Base-Base interactions energy: -17.837 where: short stacking energy: -17.837 Base-Backbone interact. energy: -0.072 local terms energy: -25.502609 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -6.473 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -56.593867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.593867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.593867 (E_RNA) where: Base-Base interactions energy: -28.102 where: short stacking energy: -17.249 Base-Backbone interact. energy: -0.000 local terms energy: -28.491604 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -4.042 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: 85 Temperature: 1.300000 Total energy: -46.655741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.655741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.655741 (E_RNA) where: Base-Base interactions energy: -24.673 where: short stacking energy: -15.249 Base-Backbone interact. energy: -0.000 local terms energy: -21.982557 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -4.382 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -40.745339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.745339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.745339 (E_RNA) where: Base-Base interactions energy: -18.568 where: short stacking energy: -18.568 Base-Backbone interact. energy: -0.000 local terms energy: -22.177485 where: bonds (distance) C4'-P energy: -4.155 bonds (distance) P-C4' energy: -5.680 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: -4.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -95.238200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.238200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.238200 (E_RNA) where: Base-Base interactions energy: -72.461 where: short stacking energy: -28.607 Base-Backbone interact. energy: -0.077 local terms energy: -22.699975 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.749 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: 0.909 tors. eta vs tors. theta energy: -4.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -87.427698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.427698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.427698 (E_RNA) where: Base-Base interactions energy: -64.242 where: short stacking energy: -23.016 Base-Backbone interact. energy: -0.001 local terms energy: -23.184534 where: bonds (distance) C4'-P energy: -7.226 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: 0.276 tors. eta vs tors. theta energy: -2.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -84.297070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.297070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.297070 (E_RNA) where: Base-Base interactions energy: -61.180 where: short stacking energy: -23.135 Base-Backbone interact. energy: -0.004 local terms energy: -23.112813 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: 1.827 tors. eta vs tors. theta energy: -5.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -85.122143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.122143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.122143 (E_RNA) where: Base-Base interactions energy: -62.105 where: short stacking energy: -19.073 Base-Backbone interact. energy: -0.105 local terms energy: -22.912270 where: bonds (distance) C4'-P energy: -3.562 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.362 flat angles P-C4'-P energy: -1.853 tors. eta vs tors. theta energy: -6.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -80.552093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.552093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.552093 (E_RNA) where: Base-Base interactions energy: -51.414 where: short stacking energy: -21.405 Base-Backbone interact. energy: -0.324 local terms energy: -28.813536 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.211 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: -5.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -48.149257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.149257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.149257 (E_RNA) where: Base-Base interactions energy: -24.573 where: short stacking energy: -16.970 Base-Backbone interact. energy: -0.036 local terms energy: -23.540340 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -1.678 tors. eta vs tors. theta energy: -2.242 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: 3 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -58.887926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.887926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.887926 (E_RNA) where: Base-Base interactions energy: -31.449 where: short stacking energy: -19.557 Base-Backbone interact. energy: -0.003 local terms energy: -27.436104 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -5.047 tors. eta vs tors. theta energy: -3.655 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: 8, replica: 2 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -47.644822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.644822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.644822 (E_RNA) where: Base-Base interactions energy: -21.687 where: short stacking energy: -20.737 Base-Backbone interact. energy: -0.000 local terms energy: -25.957898 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -5.088 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: 1 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -40.541835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.541835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.541835 (E_RNA) where: Base-Base interactions energy: -14.921 where: short stacking energy: -14.356 Base-Backbone interact. energy: -0.772 local terms energy: -24.848515 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -2.613 tors. eta vs tors. theta energy: -1.055 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: 4 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -43.869714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.869714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.869714 (E_RNA) where: Base-Base interactions energy: -19.113 where: short stacking energy: -16.177 Base-Backbone interact. energy: -0.020 local terms energy: -24.736069 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -2.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -100.357270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.357270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.357270 (E_RNA) where: Base-Base interactions energy: -77.568 where: short stacking energy: -28.828 Base-Backbone interact. energy: -0.005 local terms energy: -22.784479 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.060 flat angles P-C4'-P energy: 0.382 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -83.480637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.480637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.480637 (E_RNA) where: Base-Base interactions energy: -52.657 where: short stacking energy: -22.978 Base-Backbone interact. energy: -0.303 local terms energy: -30.521617 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -6.030 tors. eta vs tors. theta energy: -6.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -85.636219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.636219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.636219 (E_RNA) where: Base-Base interactions energy: -63.240 where: short stacking energy: -23.352 Base-Backbone interact. energy: -0.000 local terms energy: -22.395954 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: 0.021 tors. eta vs tors. theta energy: -3.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -77.913085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.913085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.913085 (E_RNA) where: Base-Base interactions energy: -50.476 where: short stacking energy: -21.215 Base-Backbone interact. energy: -0.013 local terms energy: -27.423881 where: bonds (distance) C4'-P energy: -5.909 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -3.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -82.660129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.660129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.660129 (E_RNA) where: Base-Base interactions energy: -59.300 where: short stacking energy: -24.907 Base-Backbone interact. energy: -0.000 local terms energy: -23.359842 where: bonds (distance) C4'-P energy: -5.251 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -2.179 tors. eta vs tors. theta energy: -3.244 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: 3 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -42.475864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.475864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.475864 (E_RNA) where: Base-Base interactions energy: -21.441 where: short stacking energy: -17.257 Base-Backbone interact. energy: -0.158 local terms energy: -20.877480 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -2.093 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -1.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -43.558680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.558680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.558680 (E_RNA) where: Base-Base interactions energy: -19.598 where: short stacking energy: -19.164 Base-Backbone interact. energy: -0.604 local terms energy: -23.357142 where: bonds (distance) C4'-P energy: -5.483 bonds (distance) P-C4' energy: -4.737 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -3.157 tors. eta vs tors. theta energy: -4.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -37.963381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.963381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.963381 (E_RNA) where: Base-Base interactions energy: -15.410 where: short stacking energy: -15.410 Base-Backbone interact. energy: -0.003 local terms energy: -22.549993 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -2.018 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -41.971924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.971924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.971924 (E_RNA) where: Base-Base interactions energy: -18.461 where: short stacking energy: -18.461 Base-Backbone interact. energy: -0.029 local terms energy: -23.482064 where: bonds (distance) C4'-P energy: -4.217 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -3.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -51.596125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.596125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.596125 (E_RNA) where: Base-Base interactions energy: -25.008 where: short stacking energy: -25.008 Base-Backbone interact. energy: -0.000 local terms energy: -26.588032 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -3.958 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -6.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -97.441903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.441903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.441903 (E_RNA) where: Base-Base interactions energy: -74.141 where: short stacking energy: -27.479 Base-Backbone interact. energy: -0.012 local terms energy: -23.288207 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -1.850 tors. eta vs tors. theta energy: -2.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -79.537448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.537448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.537448 (E_RNA) where: Base-Base interactions energy: -51.964 where: short stacking energy: -23.733 Base-Backbone interact. energy: -0.033 local terms energy: -27.539816 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -81.653775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.653775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.653775 (E_RNA) where: Base-Base interactions energy: -52.752 where: short stacking energy: -23.559 Base-Backbone interact. energy: -0.000 local terms energy: -28.901368 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.569 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -6.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -82.197906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.197906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.197906 (E_RNA) where: Base-Base interactions energy: -56.882 where: short stacking energy: -19.623 Base-Backbone interact. energy: -0.001 local terms energy: -25.314633 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -4.845 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -3.055 tors. eta vs tors. theta energy: -5.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -81.084531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.084531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.084531 (E_RNA) where: Base-Base interactions energy: -58.124 where: short stacking energy: -24.586 Base-Backbone interact. energy: -0.004 local terms energy: -22.956557 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -0.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -57.032522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.032522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.032522 (E_RNA) where: Base-Base interactions energy: -25.895 where: short stacking energy: -25.895 Base-Backbone interact. energy: -0.000 local terms energy: -31.137535 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -6.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -44.750198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.750198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.750198 (E_RNA) where: Base-Base interactions energy: -19.648 where: short stacking energy: -19.648 Base-Backbone interact. energy: -0.045 local terms energy: -25.057515 where: bonds (distance) C4'-P energy: -2.461 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -3.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -45.965725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.965725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.965725 (E_RNA) where: Base-Base interactions energy: -20.877 where: short stacking energy: -20.877 Base-Backbone interact. energy: -0.071 local terms energy: -25.018022 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.120 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -3.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -52.709288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.709288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.709288 (E_RNA) where: Base-Base interactions energy: -21.711 where: short stacking energy: -21.711 Base-Backbone interact. energy: -0.000 local terms energy: -30.998346 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -6.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -43.972573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.972573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.972573 (E_RNA) where: Base-Base interactions energy: -21.204 where: short stacking energy: -19.791 Base-Backbone interact. energy: -0.000 local terms energy: -22.768547 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -1.453 tors. eta vs tors. theta energy: -2.812 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: 10 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -96.151794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.151794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.151794 (E_RNA) where: Base-Base interactions energy: -71.664 where: short stacking energy: -26.841 Base-Backbone interact. energy: -0.069 local terms energy: -24.418802 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -1.034 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -79.455882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.455882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.455882 (E_RNA) where: Base-Base interactions energy: -50.999 where: short stacking energy: -19.619 Base-Backbone interact. energy: -0.101 local terms energy: -28.355233 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: 0.180 tors. eta vs tors. theta energy: -6.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -83.144919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.144919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.144919 (E_RNA) where: Base-Base interactions energy: -57.365 where: short stacking energy: -17.275 Base-Backbone interact. energy: -0.049 local terms energy: -25.730385 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -1.745 tors. eta vs tors. theta energy: -5.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -81.528298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.528298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.528298 (E_RNA) where: Base-Base interactions energy: -56.341 where: short stacking energy: -25.217 Base-Backbone interact. energy: -0.000 local terms energy: -25.186713 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -1.947 tors. eta vs tors. theta energy: -3.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -81.171792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.171792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.171792 (E_RNA) where: Base-Base interactions energy: -50.734 where: short stacking energy: -19.361 Base-Backbone interact. energy: -0.007 local terms energy: -30.430548 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -6.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -45.319392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.319392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.319392 (E_RNA) where: Base-Base interactions energy: -22.052 where: short stacking energy: -11.376 Base-Backbone interact. energy: -0.005 local terms energy: -23.262577 where: bonds (distance) C4'-P energy: -4.800 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -0.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -42.103941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.103941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.103941 (E_RNA) where: Base-Base interactions energy: -20.605 where: short stacking energy: -16.277 Base-Backbone interact. energy: -0.077 local terms energy: -21.422828 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -2.526 tors. eta vs tors. theta energy: -0.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -40.960522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.960522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.960522 (E_RNA) where: Base-Base interactions energy: -18.672 where: short stacking energy: -10.281 Base-Backbone interact. energy: -0.145 local terms energy: -22.142819 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -0.392 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: 9, replica: 7 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -49.592194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.592194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.592194 (E_RNA) where: Base-Base interactions energy: -26.092 where: short stacking energy: -17.880 Base-Backbone interact. energy: -0.011 local terms energy: -23.489203 where: bonds (distance) C4'-P energy: -2.151 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -4.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -36.177816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.177816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.177816 (E_RNA) where: Base-Base interactions energy: -19.423 where: short stacking energy: -19.423 Base-Backbone interact. energy: -0.016 local terms energy: -16.738677 where: bonds (distance) C4'-P energy: 1.617 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -3.156 tors. eta vs tors. theta energy: -1.500 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: 90 Temperature: 0.900000 Total energy: -85.606346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.606346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.606346 (E_RNA) where: Base-Base interactions energy: -63.278 where: short stacking energy: -25.570 Base-Backbone interact. energy: -0.002 local terms energy: -22.326393 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -1.213 tors. eta vs tors. theta energy: -1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -97.660959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.660959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.660959 (E_RNA) where: Base-Base interactions energy: -73.662 where: short stacking energy: -28.817 Base-Backbone interact. energy: -0.234 local terms energy: -23.765031 where: bonds (distance) C4'-P energy: -4.953 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -0.811 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: 3, replica: 5 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -83.920440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.920440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.920440 (E_RNA) where: Base-Base interactions energy: -56.996 where: short stacking energy: -21.528 Base-Backbone interact. energy: -0.001 local terms energy: -26.922772 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -5.374 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: 8 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -79.666294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.666294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.666294 (E_RNA) where: Base-Base interactions energy: -52.749 where: short stacking energy: -21.687 Base-Backbone interact. energy: -0.001 local terms energy: -26.916533 where: bonds (distance) C4'-P energy: -5.271 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -5.088 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: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -92.324686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.324686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.324686 (E_RNA) where: Base-Base interactions energy: -68.609 where: short stacking energy: -24.597 Base-Backbone interact. energy: -0.013 local terms energy: -23.703190 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: 0.730 tors. eta vs tors. theta energy: -5.196 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: 1 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -48.496715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.496715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.496715 (E_RNA) where: Base-Base interactions energy: -23.195 where: short stacking energy: -23.195 Base-Backbone interact. energy: -0.000 local terms energy: -25.301691 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -63.608872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.608872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.608872 (E_RNA) where: Base-Base interactions energy: -36.878 where: short stacking energy: -17.466 Base-Backbone interact. energy: -0.000 local terms energy: -26.730853 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -3.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -70.040284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.040284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.040284 (E_RNA) where: Base-Base interactions energy: -49.459 where: short stacking energy: -15.851 Base-Backbone interact. energy: -0.088 local terms energy: -20.492812 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -2.980 flat angles P-C4'-P energy: -0.613 tors. eta vs tors. theta energy: -2.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -50.274431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.274431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.274431 (E_RNA) where: Base-Base interactions energy: -22.533 where: short stacking energy: -22.533 Base-Backbone interact. energy: -0.000 local terms energy: -27.741251 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -3.997 flat angles P-C4'-P energy: -5.454 tors. eta vs tors. theta energy: -5.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -42.511603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.511603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.511603 (E_RNA) where: Base-Base interactions energy: -15.923 where: short stacking energy: -15.923 Base-Backbone interact. energy: -0.001 local terms energy: -26.587580 where: bonds (distance) C4'-P energy: -4.482 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -3.996 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: 1, replica: 9 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -81.914934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.914934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.914934 (E_RNA) where: Base-Base interactions energy: -53.116 where: short stacking energy: -22.524 Base-Backbone interact. energy: -0.164 local terms energy: -28.634540 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: -5.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -97.588120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.588120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.588120 (E_RNA) where: Base-Base interactions energy: -71.816 where: short stacking energy: -26.745 Base-Backbone interact. energy: -0.006 local terms energy: -25.766771 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -1.681 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -82.245722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.245722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.245722 (E_RNA) where: Base-Base interactions energy: -62.802 where: short stacking energy: -26.664 Base-Backbone interact. energy: -0.043 local terms energy: -19.400660 where: bonds (distance) C4'-P energy: -5.028 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: 1.408 tors. eta vs tors. theta energy: -3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -86.371206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.371206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.371206 (E_RNA) where: Base-Base interactions energy: -63.073 where: short stacking energy: -24.619 Base-Backbone interact. energy: -0.026 local terms energy: -23.271964 where: bonds (distance) C4'-P energy: -4.503 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -0.597 tors. eta vs tors. theta energy: -4.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -86.393890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.393890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.393890 (E_RNA) where: Base-Base interactions energy: -64.911 where: short stacking energy: -24.718 Base-Backbone interact. energy: -0.004 local terms energy: -21.478021 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.423 flat angles P-C4'-P energy: 0.664 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: 6, replica: 2 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -57.984878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.984878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.984878 (E_RNA) where: Base-Base interactions energy: -32.275 where: short stacking energy: -17.034 Base-Backbone interact. energy: 1.129 local terms energy: -26.838466 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -3.317 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: 1 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -45.018531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.018531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.018531 (E_RNA) where: Base-Base interactions energy: -20.563 where: short stacking energy: -20.563 Base-Backbone interact. energy: -0.408 local terms energy: -24.047140 where: bonds (distance) C4'-P energy: -3.579 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.302 flat angles P-C4'-P energy: -5.463 tors. eta vs tors. theta energy: -2.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -70.794865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.794865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.794865 (E_RNA) where: Base-Base interactions energy: -45.291 where: short stacking energy: -17.365 Base-Backbone interact. energy: -0.151 local terms energy: -25.352902 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -1.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -41.058880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.058880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.058880 (E_RNA) where: Base-Base interactions energy: -17.097 where: short stacking energy: -17.097 Base-Backbone interact. energy: -0.000 local terms energy: -23.961706 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -2.843 flat angles P-C4'-P energy: -4.765 tors. eta vs tors. theta energy: -4.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -39.042048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.042048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.042048 (E_RNA) where: Base-Base interactions energy: -18.613 where: short stacking energy: -12.629 Base-Backbone interact. energy: -0.076 local terms energy: -20.353628 where: bonds (distance) C4'-P energy: -4.759 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -97.779646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.779646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.779646 (E_RNA) where: Base-Base interactions energy: -76.422 where: short stacking energy: -29.278 Base-Backbone interact. energy: -0.000 local terms energy: -21.357370 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: 2.254 tors. eta vs tors. theta energy: -5.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -84.515455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.515455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.515455 (E_RNA) where: Base-Base interactions energy: -60.453 where: short stacking energy: -22.371 Base-Backbone interact. energy: -0.017 local terms energy: -24.045319 where: bonds (distance) C4'-P energy: -5.430 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -1.818 tors. eta vs tors. theta energy: -4.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -83.392301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.392301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.392301 (E_RNA) where: Base-Base interactions energy: -62.705 where: short stacking energy: -23.030 Base-Backbone interact. energy: -0.001 local terms energy: -20.686197 where: bonds (distance) C4'-P energy: -4.916 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -0.340 tors. eta vs tors. theta energy: -5.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -81.394397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.394397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.394397 (E_RNA) where: Base-Base interactions energy: -60.967 where: short stacking energy: -22.743 Base-Backbone interact. energy: -0.081 local terms energy: -20.346336 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -5.706 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: 0.731 tors. eta vs tors. theta energy: -4.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -60.774983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.774983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.774983 (E_RNA) where: Base-Base interactions energy: -34.215 where: short stacking energy: -16.806 Base-Backbone interact. energy: -0.083 local terms energy: -26.477174 where: bonds (distance) C4'-P energy: -4.560 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -5.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -76.175838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.175838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.175838 (E_RNA) where: Base-Base interactions energy: -50.849 where: short stacking energy: -23.357 Base-Backbone interact. energy: -0.001 local terms energy: -25.325368 where: bonds (distance) C4'-P energy: -5.396 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -2.422 tors. eta vs tors. theta energy: -6.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -75.433531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.433531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.433531 (E_RNA) where: Base-Base interactions energy: -56.976 where: short stacking energy: -22.583 Base-Backbone interact. energy: -0.011 local terms energy: -18.447173 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -0.959 flat angles P-C4'-P energy: -0.817 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -48.568140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.568140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.568140 (E_RNA) where: Base-Base interactions energy: -23.996 where: short stacking energy: -10.469 Base-Backbone interact. energy: -0.023 local terms energy: -24.549419 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -3.230 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -4.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -50.809045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.809045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.809045 (E_RNA) where: Base-Base interactions energy: -29.242 where: short stacking energy: -11.849 Base-Backbone interact. energy: -0.003 local terms energy: -21.564644 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -2.927 flat angles P-C4'-P energy: -5.568 tors. eta vs tors. theta energy: 0.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -36.502310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.502310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.502310 (E_RNA) where: Base-Base interactions energy: -9.742 where: short stacking energy: -9.742 Base-Backbone interact. energy: -0.000 local terms energy: -26.759789 where: bonds (distance) C4'-P energy: -2.846 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -6.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -97.202981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.202981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.202981 (E_RNA) where: Base-Base interactions energy: -73.717 where: short stacking energy: -29.448 Base-Backbone interact. energy: -0.348 local terms energy: -23.137514 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -7.339 flat angles P-C4'-P energy: 0.378 tors. eta vs tors. theta energy: -3.182 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: 93 Temperature: 0.950000 Total energy: -88.976190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.976190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.976190 (E_RNA) where: Base-Base interactions energy: -61.876 where: short stacking energy: -23.454 Base-Backbone interact. energy: -0.379 local terms energy: -26.720873 where: bonds (distance) C4'-P energy: -6.696 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -2.118 tors. eta vs tors. theta energy: -5.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -76.974481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.974481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.974481 (E_RNA) where: Base-Base interactions energy: -52.634 where: short stacking energy: -21.391 Base-Backbone interact. energy: -0.051 local terms energy: -24.289744 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -3.844 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -4.343 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: 4, replica: 5 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -85.706173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.706173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.706173 (E_RNA) where: Base-Base interactions energy: -62.956 where: short stacking energy: -21.010 Base-Backbone interact. energy: -0.006 local terms energy: -22.744216 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -0.575 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: 5, replica: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -51.145177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.145177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.145177 (E_RNA) where: Base-Base interactions energy: -28.892 where: short stacking energy: -22.160 Base-Backbone interact. energy: -0.000 local terms energy: -22.252369 where: bonds (distance) C4'-P energy: -3.959 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -1.394 tors. eta vs tors. theta energy: -2.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -57.355140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.355140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.355140 (E_RNA) where: Base-Base interactions energy: -26.663 where: short stacking energy: -26.663 Base-Backbone interact. energy: -0.000 local terms energy: -30.692376 where: bonds (distance) C4'-P energy: -7.002 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -5.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -39.140142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.140142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.140142 (E_RNA) where: Base-Base interactions energy: -17.597 where: short stacking energy: -17.561 Base-Backbone interact. energy: -0.001 local terms energy: -21.542751 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -0.351 tors. eta vs tors. theta energy: -1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -50.733896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.733896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.733896 (E_RNA) where: Base-Base interactions energy: -24.089 where: short stacking energy: -24.089 Base-Backbone interact. energy: -0.000 local terms energy: -26.644843 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -4.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -44.791670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.791670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.791670 (E_RNA) where: Base-Base interactions energy: -23.596 where: short stacking energy: -13.575 Base-Backbone interact. energy: -0.079 local terms energy: -21.115913 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: 1.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -30.821344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.821344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.821344 (E_RNA) where: Base-Base interactions energy: -10.808 where: short stacking energy: -10.269 Base-Backbone interact. energy: -0.001 local terms energy: -20.013039 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -1.741 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -0.770 tors. eta vs tors. theta energy: -5.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -95.852463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.852463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.852463 (E_RNA) where: Base-Base interactions energy: -72.778 where: short stacking energy: -28.643 Base-Backbone interact. energy: -0.015 local terms energy: -23.058988 where: bonds (distance) C4'-P energy: -4.925 bonds (distance) P-C4' energy: -6.345 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -0.405 tors. eta vs tors. theta energy: -5.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -92.351507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.351507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.351507 (E_RNA) where: Base-Base interactions energy: -63.713 where: short stacking energy: -24.216 Base-Backbone interact. energy: -0.002 local terms energy: -28.636040 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -2.530 tors. eta vs tors. theta energy: -5.871 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: 9 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -93.059423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.059423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.059423 (E_RNA) where: Base-Base interactions energy: -71.302 where: short stacking energy: -26.892 Base-Backbone interact. energy: -0.023 local terms energy: -21.734326 where: bonds (distance) C4'-P energy: -6.709 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: 3.937 tors. eta vs tors. theta energy: -6.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -78.427247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.427247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.427247 (E_RNA) where: Base-Base interactions energy: -49.180 where: short stacking energy: -19.361 Base-Backbone interact. energy: -0.040 local terms energy: -29.207873 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -8.042 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -4.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -52.394001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.394001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.394001 (E_RNA) where: Base-Base interactions energy: -29.965 where: short stacking energy: -20.146 Base-Backbone interact. energy: -0.060 local terms energy: -22.369765 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.686 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: 0.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -55.874838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.874838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.874838 (E_RNA) where: Base-Base interactions energy: -28.948 where: short stacking energy: -17.131 Base-Backbone interact. energy: -0.006 local terms energy: -26.921001 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -51.482849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.482849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.482849 (E_RNA) where: Base-Base interactions energy: -27.074 where: short stacking energy: -13.827 Base-Backbone interact. energy: -0.009 local terms energy: -24.399445 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.193 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -40.829668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.829668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.829668 (E_RNA) where: Base-Base interactions energy: -18.984 where: short stacking energy: -18.984 Base-Backbone interact. energy: -0.016 local terms energy: -21.829393 where: bonds (distance) C4'-P energy: -4.548 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -2.978 tors. eta vs tors. theta energy: -1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -41.218368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.218368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.218368 (E_RNA) where: Base-Base interactions energy: -21.151 where: short stacking energy: -21.151 Base-Backbone interact. energy: -0.008 local terms energy: -20.059626 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -1.029 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: -1.559 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: 1 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -40.879698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.879698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.879698 (E_RNA) where: Base-Base interactions energy: -16.374 where: short stacking energy: -16.374 Base-Backbone interact. energy: -0.050 local terms energy: -24.456298 where: bonds (distance) C4'-P energy: -1.343 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -5.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -96.671276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.671276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.671276 (E_RNA) where: Base-Base interactions energy: -71.273 where: short stacking energy: -28.073 Base-Backbone interact. energy: -0.001 local terms energy: -25.397570 where: bonds (distance) C4'-P energy: -6.722 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: 0.670 tors. eta vs tors. theta energy: -5.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -91.231878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.231878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.231878 (E_RNA) where: Base-Base interactions energy: -65.665 where: short stacking energy: -21.011 Base-Backbone interact. energy: -0.618 local terms energy: -24.948979 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: 1.814 tors. eta vs tors. theta energy: -6.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -95.277015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.277015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.277015 (E_RNA) where: Base-Base interactions energy: -74.262 where: short stacking energy: -28.172 Base-Backbone interact. energy: -0.006 local terms energy: -21.008942 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -3.601 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -1.211 tors. eta vs tors. theta energy: -3.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -77.425289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.425289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.425289 (E_RNA) where: Base-Base interactions energy: -52.579 where: short stacking energy: -21.921 Base-Backbone interact. energy: -0.090 local terms energy: -24.756597 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: 0.357 tors. eta vs tors. theta energy: -5.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -53.909074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.909074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.909074 (E_RNA) where: Base-Base interactions energy: -28.759 where: short stacking energy: -28.759 Base-Backbone interact. energy: -0.000 local terms energy: -25.149426 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -0.977 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -6.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -46.062008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.062008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.062008 (E_RNA) where: Base-Base interactions energy: -21.750 where: short stacking energy: -21.750 Base-Backbone interact. energy: 0.100 local terms energy: -24.411962 where: bonds (distance) C4'-P energy: -5.105 bonds (distance) P-C4' energy: -4.308 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -4.342 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: 7, replica: 2 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -58.235868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.235868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.235868 (E_RNA) where: Base-Base interactions energy: -29.596 where: short stacking energy: -18.318 Base-Backbone interact. energy: -0.056 local terms energy: -28.584269 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -4.714 tors. eta vs tors. theta energy: -3.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -52.683793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.683793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.683793 (E_RNA) where: Base-Base interactions energy: -28.335 where: short stacking energy: -21.732 Base-Backbone interact. energy: -0.001 local terms energy: -24.348380 where: bonds (distance) C4'-P energy: -4.751 bonds (distance) P-C4' energy: -5.621 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -4.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -41.560276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.560276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.560276 (E_RNA) where: Base-Base interactions energy: -15.309 where: short stacking energy: -15.309 Base-Backbone interact. energy: -0.001 local terms energy: -26.249911 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: -3.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -38.953578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.953578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.953578 (E_RNA) where: Base-Base interactions energy: -16.982 where: short stacking energy: -16.786 Base-Backbone interact. energy: -0.029 local terms energy: -21.942750 where: bonds (distance) C4'-P energy: -4.208 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -1.817 flat angles P-C4'-P energy: -5.365 tors. eta vs tors. theta energy: -3.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -93.102919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.102919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.102919 (E_RNA) where: Base-Base interactions energy: -69.625 where: short stacking energy: -27.950 Base-Backbone interact. energy: -0.042 local terms energy: -23.435619 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -1.047 tors. eta vs tors. theta energy: -3.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -92.831431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.831431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.831431 (E_RNA) where: Base-Base interactions energy: -70.369 where: short stacking energy: -26.715 Base-Backbone interact. energy: -0.089 local terms energy: -22.373052 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: 0.539 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: 3, replica: 5 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -80.965915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.965915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.965915 (E_RNA) where: Base-Base interactions energy: -54.516 where: short stacking energy: -23.210 Base-Backbone interact. energy: -0.000 local terms energy: -26.449259 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.403 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: -2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -92.502775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.502775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.502775 (E_RNA) where: Base-Base interactions energy: -72.890 where: short stacking energy: -27.368 Base-Backbone interact. energy: -0.005 local terms energy: -19.607752 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: 0.427 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: 5, replica: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -49.817534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.817534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.817534 (E_RNA) where: Base-Base interactions energy: -22.415 where: short stacking energy: -22.415 Base-Backbone interact. energy: -0.010 local terms energy: -27.392862 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -6.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -49.855546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.855546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.855546 (E_RNA) where: Base-Base interactions energy: -21.686 where: short stacking energy: -21.686 Base-Backbone interact. energy: -0.003 local terms energy: -28.166710 where: bonds (distance) C4'-P energy: -5.898 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: -3.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -43.315399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.315399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.315399 (E_RNA) where: Base-Base interactions energy: -24.751 where: short stacking energy: -14.007 Base-Backbone interact. energy: -0.002 local terms energy: -18.561939 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -2.322 flat angles P-C4'-P energy: -1.297 tors. eta vs tors. theta energy: -3.643 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: 4 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -52.447333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.447333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.447333 (E_RNA) where: Base-Base interactions energy: -24.585 where: short stacking energy: -21.233 Base-Backbone interact. energy: 1.142 local terms energy: -29.004329 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -6.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -38.093094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.093094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.093094 (E_RNA) where: Base-Base interactions energy: -14.454 where: short stacking energy: -14.454 Base-Backbone interact. energy: -0.073 local terms energy: -23.565361 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -3.396 tors. eta vs tors. theta energy: -0.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -44.234258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.234258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.234258 (E_RNA) where: Base-Base interactions energy: -15.914 where: short stacking energy: -15.914 Base-Backbone interact. energy: -0.000 local terms energy: -28.320082 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -6.404 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -5.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -98.685289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.685289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.685289 (E_RNA) where: Base-Base interactions energy: -75.826 where: short stacking energy: -28.805 Base-Backbone interact. energy: -0.004 local terms energy: -22.855039 where: bonds (distance) C4'-P energy: -5.317 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: 0.706 tors. eta vs tors. theta energy: -3.256 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: 2, replica: 5 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -83.455286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.455286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.455286 (E_RNA) where: Base-Base interactions energy: -62.240 where: short stacking energy: -24.527 Base-Backbone interact. energy: -0.001 local terms energy: -21.214560 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -1.888 tors. eta vs tors. theta energy: 0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -97.085781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.085781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.085781 (E_RNA) where: Base-Base interactions energy: -72.736 where: short stacking energy: -28.024 Base-Backbone interact. energy: -0.052 local terms energy: -24.297542 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -2.004 tors. eta vs tors. theta energy: -3.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -96.176287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.176287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.176287 (E_RNA) where: Base-Base interactions energy: -69.195 where: short stacking energy: -26.751 Base-Backbone interact. energy: -0.005 local terms energy: -26.975983 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -0.542 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: 5, replica: 7 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -50.643919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.643919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.643919 (E_RNA) where: Base-Base interactions energy: -28.552 where: short stacking energy: -19.492 Base-Backbone interact. energy: -0.024 local terms energy: -22.067692 where: bonds (distance) C4'-P energy: -3.666 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -2.651 tors. eta vs tors. theta energy: -3.217 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: 2 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -48.978398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.978398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.978398 (E_RNA) where: Base-Base interactions energy: -23.561 where: short stacking energy: -23.561 Base-Backbone interact. energy: -0.092 local terms energy: -25.325275 where: bonds (distance) C4'-P energy: -3.563 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -5.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -56.090537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.090537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.090537 (E_RNA) where: Base-Base interactions energy: -27.163 where: short stacking energy: -27.163 Base-Backbone interact. energy: -0.000 local terms energy: -28.927561 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -3.246 tors. eta vs tors. theta energy: -6.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -48.004303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.004303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.004303 (E_RNA) where: Base-Base interactions energy: -24.832 where: short stacking energy: -15.230 Base-Backbone interact. energy: -0.090 local terms energy: -23.081806 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -2.189 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -44.598673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.598673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.598673 (E_RNA) where: Base-Base interactions energy: -23.411 where: short stacking energy: -23.411 Base-Backbone interact. energy: -0.079 local terms energy: -21.107852 where: bonds (distance) C4'-P energy: -2.511 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -3.164 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -43.383812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.383812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.383812 (E_RNA) where: Base-Base interactions energy: -20.582 where: short stacking energy: -20.582 Base-Backbone interact. energy: -0.004 local terms energy: -22.797594 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.573 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -3.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -83.700148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.700148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.700148 (E_RNA) where: Base-Base interactions energy: -53.948 where: short stacking energy: -27.190 Base-Backbone interact. energy: -0.000 local terms energy: -29.751619 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -4.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -93.900658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.900658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.900658 (E_RNA) where: Base-Base interactions energy: -72.201 where: short stacking energy: -25.796 Base-Backbone interact. energy: -0.002 local terms energy: -21.698125 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: 1.982 tors. eta vs tors. theta energy: -2.581 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: 9 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -95.529065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.529065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.529065 (E_RNA) where: Base-Base interactions energy: -70.769 where: short stacking energy: -26.964 Base-Backbone interact. energy: -0.013 local terms energy: -24.747275 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.980 flat angles C4'-P-C4' energy: -5.729 flat angles P-C4'-P energy: -1.179 tors. eta vs tors. theta energy: -5.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -92.170866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.170866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.170866 (E_RNA) where: Base-Base interactions energy: -71.840 where: short stacking energy: -27.841 Base-Backbone interact. energy: -0.008 local terms energy: -20.323554 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: 2.756 tors. eta vs tors. theta energy: -4.580 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: 98 Temperature: 1.100000 Total energy: -52.821772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.821772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.821772 (E_RNA) where: Base-Base interactions energy: -22.890 where: short stacking energy: -22.890 Base-Backbone interact. energy: -0.003 local terms energy: -29.928851 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.280 flat angles C4'-P-C4' energy: -6.115 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -6.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -52.202637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.202637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.202637 (E_RNA) where: Base-Base interactions energy: -26.245 where: short stacking energy: -26.245 Base-Backbone interact. energy: -0.000 local terms energy: -25.957089 where: bonds (distance) C4'-P energy: -4.395 bonds (distance) P-C4' energy: -5.272 flat angles C4'-P-C4' energy: -7.710 flat angles P-C4'-P energy: -1.845 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: 7, replica: 1 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -40.985306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.985306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.985306 (E_RNA) where: Base-Base interactions energy: -19.286 where: short stacking energy: -19.286 Base-Backbone interact. energy: -0.006 local terms energy: -21.692515 where: bonds (distance) C4'-P energy: -4.776 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -1.290 tors. eta vs tors. theta energy: -3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -43.808245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.808245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.808245 (E_RNA) where: Base-Base interactions energy: -21.012 where: short stacking energy: -21.012 Base-Backbone interact. energy: -0.000 local terms energy: -22.795786 where: bonds (distance) C4'-P energy: -4.659 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -1.701 tors. eta vs tors. theta energy: -4.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -37.591083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.591083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.591083 (E_RNA) where: Base-Base interactions energy: -16.784 where: short stacking energy: -15.460 Base-Backbone interact. energy: -0.033 local terms energy: -20.774757 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -3.861 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -0.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -41.166954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.166954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.166954 (E_RNA) where: Base-Base interactions energy: -19.957 where: short stacking energy: -19.957 Base-Backbone interact. energy: -0.000 local terms energy: -21.209653 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -2.380 tors. eta vs tors. theta energy: -4.604 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: 1, replica: 5 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -87.075811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.075811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.075811 (E_RNA) where: Base-Base interactions energy: -59.746 where: short stacking energy: -24.638 Base-Backbone interact. energy: -0.000 local terms energy: -27.329210 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -3.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -92.511163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.511163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.511163 (E_RNA) where: Base-Base interactions energy: -72.949 where: short stacking energy: -26.926 Base-Backbone interact. energy: -0.019 local terms energy: -19.543508 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: 0.608 tors. eta vs tors. theta energy: -4.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -84.967415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.967415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.967415 (E_RNA) where: Base-Base interactions energy: -62.504 where: short stacking energy: -21.043 Base-Backbone interact. energy: -0.006 local terms energy: -22.457650 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: 0.117 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: 4, replica: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -53.551595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.551595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.551595 (E_RNA) where: Base-Base interactions energy: -32.161 where: short stacking energy: -20.477 Base-Backbone interact. energy: -0.002 local terms energy: -21.388770 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -4.809 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -1.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -78.471336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.471336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.471336 (E_RNA) where: Base-Base interactions energy: -51.761 where: short stacking energy: -21.634 Base-Backbone interact. energy: 0.889 local terms energy: -27.599005 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -6.100 tors. eta vs tors. theta energy: -3.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -44.200977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.200977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.200977 (E_RNA) where: Base-Base interactions energy: -20.825 where: short stacking energy: -17.448 Base-Backbone interact. energy: -0.262 local terms energy: -23.114062 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.283 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -2.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -40.301040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.301040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.301040 (E_RNA) where: Base-Base interactions energy: -15.463 where: short stacking energy: -15.463 Base-Backbone interact. energy: -0.092 local terms energy: -24.745992 where: bonds (distance) C4'-P energy: -3.873 bonds (distance) P-C4' energy: -6.228 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -5.273 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -70.097733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.097733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.097733 (E_RNA) where: Base-Base interactions energy: -45.979 where: short stacking energy: -14.613 Base-Backbone interact. energy: -0.081 local terms energy: -24.037633 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -1.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -42.189165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.189165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.189165 (E_RNA) where: Base-Base interactions energy: -16.143 where: short stacking energy: -16.143 Base-Backbone interact. energy: -0.004 local terms energy: -26.042397 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: -4.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -37.623714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.623714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.623714 (E_RNA) where: Base-Base interactions energy: -21.077 where: short stacking energy: -18.116 Base-Backbone interact. energy: -0.015 local terms energy: -16.531294 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -2.725 flat angles P-C4'-P energy: -2.409 tors. eta vs tors. theta energy: -2.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -99.934777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.934777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.934777 (E_RNA) where: Base-Base interactions energy: -73.212 where: short stacking energy: -26.276 Base-Backbone interact. energy: -0.102 local terms energy: -26.621665 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -0.602 tors. eta vs tors. theta energy: -6.086 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: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -82.553848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.553848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.553848 (E_RNA) where: Base-Base interactions energy: -60.987 where: short stacking energy: -25.011 Base-Backbone interact. energy: -0.002 local terms energy: -21.564314 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -2.431 tors. eta vs tors. theta energy: -3.496 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: 2 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -81.880796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.880796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.880796 (E_RNA) where: Base-Base interactions energy: -55.711 where: short stacking energy: -23.548 Base-Backbone interact. energy: -0.057 local terms energy: -26.112423 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.891 flat angles P-C4'-P energy: -2.182 tors. eta vs tors. theta energy: -3.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -76.850382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.850382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.850382 (E_RNA) where: Base-Base interactions energy: -51.818 where: short stacking energy: -21.929 Base-Backbone interact. energy: -0.035 local terms energy: -24.997292 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -3.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -51.095915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.095915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.095915 (E_RNA) where: Base-Base interactions energy: -25.359 where: short stacking energy: -25.359 Base-Backbone interact. energy: -0.020 local terms energy: -25.717177 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -4.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -70.698040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.698040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.698040 (E_RNA) where: Base-Base interactions energy: -47.315 where: short stacking energy: -19.720 Base-Backbone interact. energy: 0.331 local terms energy: -23.714087 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -2.453 tors. eta vs tors. theta energy: -2.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -39.940961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.940961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.940961 (E_RNA) where: Base-Base interactions energy: -18.771 where: short stacking energy: -18.771 Base-Backbone interact. energy: -0.056 local terms energy: -21.113719 where: bonds (distance) C4'-P energy: -5.124 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -1.596 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -47.755024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.755024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.755024 (E_RNA) where: Base-Base interactions energy: -25.886 where: short stacking energy: -24.411 Base-Backbone interact. energy: -0.003 local terms energy: -21.866059 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.633 flat angles P-C4'-P energy: -1.626 tors. eta vs tors. theta energy: -4.337 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: 9, replica: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -41.288740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.288740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.288740 (E_RNA) where: Base-Base interactions energy: -22.196 where: short stacking energy: -22.196 Base-Backbone interact. energy: -0.048 local terms energy: -19.044430 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -4.959 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -3.032 tors. eta vs tors. theta energy: -2.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -38.507884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.507884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.507884 (E_RNA) where: Base-Base interactions energy: -19.786 where: short stacking energy: -19.786 Base-Backbone interact. energy: -0.003 local terms energy: -18.718680 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -4.147 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -2.067 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -99.028963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.028963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.028963 (E_RNA) where: Base-Base interactions energy: -71.949 where: short stacking energy: -26.560 Base-Backbone interact. energy: -0.093 local terms energy: -26.987037 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -1.773 tors. eta vs tors. theta energy: -5.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -91.291986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.291986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.291986 (E_RNA) where: Base-Base interactions energy: -63.107 where: short stacking energy: -24.392 Base-Backbone interact. energy: -0.190 local terms energy: -27.995180 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -2.421 tors. eta vs tors. theta energy: -6.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -83.514070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.514070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.514070 (E_RNA) where: Base-Base interactions energy: -60.572 where: short stacking energy: -24.427 Base-Backbone interact. energy: -0.011 local terms energy: -22.931301 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -2.448 flat angles P-C4'-P energy: -0.425 tors. eta vs tors. theta energy: -5.910 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: 7 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -47.228833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.228833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.228833 (E_RNA) where: Base-Base interactions energy: -19.581 where: short stacking energy: -19.581 Base-Backbone interact. energy: -0.003 local terms energy: -27.644185 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -3.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -82.446767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.446767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.446767 (E_RNA) where: Base-Base interactions energy: -59.932 where: short stacking energy: -21.105 Base-Backbone interact. energy: -0.016 local terms energy: -22.498375 where: bonds (distance) C4'-P energy: -3.977 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -4.832 flat angles P-C4'-P energy: -1.403 tors. eta vs tors. theta energy: -5.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -46.310924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.310924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.310924 (E_RNA) where: Base-Base interactions energy: -15.715 where: short stacking energy: -15.715 Base-Backbone interact. energy: -0.073 local terms energy: -30.522831 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -5.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -76.394689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.394689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.394689 (E_RNA) where: Base-Base interactions energy: -49.457 where: short stacking energy: -18.189 Base-Backbone interact. energy: -0.002 local terms energy: -26.935583 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -5.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -40.748204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.748204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.748204 (E_RNA) where: Base-Base interactions energy: -18.726 where: short stacking energy: -18.726 Base-Backbone interact. energy: -0.000 local terms energy: -22.022353 where: bonds (distance) C4'-P energy: -3.074 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -2.249 tors. eta vs tors. theta energy: -5.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -42.312428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.312428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.312428 (E_RNA) where: Base-Base interactions energy: -17.775 where: short stacking energy: -14.032 Base-Backbone interact. energy: -0.088 local terms energy: -24.449485 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -2.455 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: 3 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -41.749251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.749251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.749251 (E_RNA) where: Base-Base interactions energy: -20.808 where: short stacking energy: -20.808 Base-Backbone interact. energy: -0.000 local terms energy: -20.941531 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -4.660 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -0.521 tors. eta vs tors. theta energy: -5.064 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: 2 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -85.020999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.020999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.020999 (E_RNA) where: Base-Base interactions energy: -55.842 where: short stacking energy: -23.859 Base-Backbone interact. energy: -0.000 local terms energy: -29.179112 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -4.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -93.308489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.308489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.308489 (E_RNA) where: Base-Base interactions energy: -70.851 where: short stacking energy: -26.104 Base-Backbone interact. energy: -0.008 local terms energy: -22.448547 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -5.754 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: 1.451 tors. eta vs tors. theta energy: -7.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -87.647555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.647555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.647555 (E_RNA) where: Base-Base interactions energy: -62.698 where: short stacking energy: -25.107 Base-Backbone interact. energy: -0.104 local terms energy: -24.844976 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.424 flat angles P-C4'-P energy: -2.622 tors. eta vs tors. theta energy: -4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -59.159326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.159326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.159326 (E_RNA) where: Base-Base interactions energy: -27.356 where: short stacking energy: -27.356 Base-Backbone interact. energy: -0.001 local terms energy: -31.802460 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -6.203 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: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -82.044326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.044326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.044326 (E_RNA) where: Base-Base interactions energy: -51.727 where: short stacking energy: -25.054 Base-Backbone interact. energy: -0.000 local terms energy: -30.317275 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: -5.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -73.423355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.423355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.423355 (E_RNA) where: Base-Base interactions energy: -51.950 where: short stacking energy: -21.095 Base-Backbone interact. energy: -0.015 local terms energy: -21.458326 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -49.124791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.124791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.124791 (E_RNA) where: Base-Base interactions energy: -30.937 where: short stacking energy: -12.200 Base-Backbone interact. energy: -0.142 local terms energy: -18.045261 where: bonds (distance) C4'-P energy: -3.658 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -2.689 flat angles P-C4'-P energy: -4.004 tors. eta vs tors. theta energy: -2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -46.213046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.213046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.213046 (E_RNA) where: Base-Base interactions energy: -21.883 where: short stacking energy: -21.289 Base-Backbone interact. energy: -0.000 local terms energy: -24.330264 where: bonds (distance) C4'-P energy: -4.092 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -3.030 tors. eta vs tors. theta energy: -3.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -42.704099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.704099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.704099 (E_RNA) where: Base-Base interactions energy: -15.195 where: short stacking energy: -15.195 Base-Backbone interact. energy: -0.007 local terms energy: -27.502147 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -3.697 tors. eta vs tors. theta energy: -4.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -39.153178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.153178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.153178 (E_RNA) where: Base-Base interactions energy: -16.292 where: short stacking energy: -15.850 Base-Backbone interact. energy: -0.004 local terms energy: -22.856874 where: bonds (distance) C4'-P energy: -3.959 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -4.470 tors. eta vs tors. theta energy: -2.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -80.841713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.841713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.841713 (E_RNA) where: Base-Base interactions energy: -53.340 where: short stacking energy: -20.155 Base-Backbone interact. energy: -0.007 local terms energy: -27.495366 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.228 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -5.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -91.415348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.415348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.415348 (E_RNA) where: Base-Base interactions energy: -64.349 where: short stacking energy: -24.494 Base-Backbone interact. energy: -0.002 local terms energy: -27.064022 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -5.596 flat angles P-C4'-P energy: -2.363 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: 3, replica: 9 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -81.000280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.000280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.000280 (E_RNA) where: Base-Base interactions energy: -60.732 where: short stacking energy: -24.897 Base-Backbone interact. energy: -0.017 local terms energy: -20.251626 where: bonds (distance) C4'-P energy: -1.908 bonds (distance) P-C4' energy: -4.714 flat angles C4'-P-C4' energy: -7.291 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -92.751832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.751832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.751832 (E_RNA) where: Base-Base interactions energy: -71.666 where: short stacking energy: -26.908 Base-Backbone interact. energy: -0.601 local terms energy: -20.484923 where: bonds (distance) C4'-P energy: -4.738 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -0.643 tors. eta vs tors. theta energy: -2.920 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: 103 Temperature: 1.100000 Total energy: -43.533570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.533570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.533570 (E_RNA) where: Base-Base interactions energy: -17.596 where: short stacking energy: -17.347 Base-Backbone interact. energy: -0.002 local terms energy: -25.934916 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: -2.434 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: 103 Temperature: 1.150000 Total energy: -78.064854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.064854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.064854 (E_RNA) where: Base-Base interactions energy: -57.203 where: short stacking energy: -20.940 Base-Backbone interact. energy: -0.000 local terms energy: -20.861622 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -3.189 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -1.980 tors. eta vs tors. theta energy: -4.175 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: 1 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -47.848534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.848534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.848534 (E_RNA) where: Base-Base interactions energy: -18.601 where: short stacking energy: -18.601 Base-Backbone interact. energy: 0.454 local terms energy: -29.701114 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -5.951 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: 8, replica: 3 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -42.529888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.529888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.529888 (E_RNA) where: Base-Base interactions energy: -19.880 where: short stacking energy: -19.880 Base-Backbone interact. energy: -0.005 local terms energy: -22.644117 where: bonds (distance) C4'-P energy: -5.897 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -2.032 tors. eta vs tors. theta energy: -1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -45.460744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.460744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.460744 (E_RNA) where: Base-Base interactions energy: -17.645 where: short stacking energy: -17.645 Base-Backbone interact. energy: -0.000 local terms energy: -27.815932 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -4.391 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: 10, replica: 4 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -34.048539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.048539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.048539 (E_RNA) where: Base-Base interactions energy: -13.303 where: short stacking energy: -13.303 Base-Backbone interact. energy: -0.018 local terms energy: -20.727341 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: 0.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -80.595871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.595871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.595871 (E_RNA) where: Base-Base interactions energy: -53.037 where: short stacking energy: -21.741 Base-Backbone interact. energy: -0.052 local terms energy: -27.506846 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -5.191 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -5.577 tors. eta vs tors. theta energy: -3.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -84.610294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.610294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.610294 (E_RNA) where: Base-Base interactions energy: -59.805 where: short stacking energy: -24.577 Base-Backbone interact. energy: -0.002 local terms energy: -24.803468 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -1.345 tors. eta vs tors. theta energy: -6.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -88.650096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.650096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.650096 (E_RNA) where: Base-Base interactions energy: -65.244 where: short stacking energy: -24.391 Base-Backbone interact. energy: -0.007 local terms energy: -23.398954 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -2.943 flat angles P-C4'-P energy: -1.551 tors. eta vs tors. theta energy: -5.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -83.218956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.218956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.218956 (E_RNA) where: Base-Base interactions energy: -62.890 where: short stacking energy: -22.682 Base-Backbone interact. energy: -0.028 local terms energy: -20.301021 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -0.426 tors. eta vs tors. theta energy: -1.713 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: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -81.729463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.729463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.729463 (E_RNA) where: Base-Base interactions energy: -51.979 where: short stacking energy: -23.371 Base-Backbone interact. energy: -0.002 local terms energy: -29.747947 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -5.958 tors. eta vs tors. theta energy: -4.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -49.885520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.885520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.885520 (E_RNA) where: Base-Base interactions energy: -19.538 where: short stacking energy: -19.297 Base-Backbone interact. energy: -0.003 local terms energy: -30.344465 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: -5.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -43.947570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.947570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.947570 (E_RNA) where: Base-Base interactions energy: -19.193 where: short stacking energy: -15.850 Base-Backbone interact. energy: -0.095 local terms energy: -24.659471 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -2.066 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: 104 Temperature: 1.250000 Total energy: -39.437717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.437717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.437717 (E_RNA) where: Base-Base interactions energy: -17.348 where: short stacking energy: -17.348 Base-Backbone interact. energy: -0.003 local terms energy: -22.087220 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -6.931 flat angles P-C4'-P energy: -2.453 tors. eta vs tors. theta energy: -1.599 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: 4 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -42.693877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.693877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.693877 (E_RNA) where: Base-Base interactions energy: -18.767 where: short stacking energy: -19.017 Base-Backbone interact. energy: -0.049 local terms energy: -23.877355 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -2.547 tors. eta vs tors. theta energy: -2.517 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: 104 Temperature: 1.350000 Total energy: -44.588439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.588439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.588439 (E_RNA) where: Base-Base interactions energy: -20.179 where: short stacking energy: -20.179 Base-Backbone interact. energy: -0.000 local terms energy: -24.409743 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -3.794 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: 5 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -93.615246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.615246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.615246 (E_RNA) where: Base-Base interactions energy: -65.066 where: short stacking energy: -26.532 Base-Backbone interact. energy: -0.002 local terms energy: -28.547306 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -2.866 tors. eta vs tors. theta energy: -4.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -87.124964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.124964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.124964 (E_RNA) where: Base-Base interactions energy: -61.526 where: short stacking energy: -22.285 Base-Backbone interact. energy: -0.001 local terms energy: -25.597557 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.978 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -0.178 tors. eta vs tors. theta energy: -7.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -87.694946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.694946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.694946 (E_RNA) where: Base-Base interactions energy: -66.147 where: short stacking energy: -22.874 Base-Backbone interact. energy: -0.046 local terms energy: -21.501965 where: bonds (distance) C4'-P energy: -4.684 bonds (distance) P-C4' energy: -6.573 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -0.365 tors. eta vs tors. theta energy: -5.281 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: 10 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -77.827001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.827001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.827001 (E_RNA) where: Base-Base interactions energy: -58.266 where: short stacking energy: -23.450 Base-Backbone interact. energy: -0.009 local terms energy: -19.551244 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -75.588159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.588159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.588159 (E_RNA) where: Base-Base interactions energy: -53.190 where: short stacking energy: -22.788 Base-Backbone interact. energy: -0.000 local terms energy: -22.398443 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -3.748 tors. eta vs tors. theta energy: -0.873 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: 7 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -48.113641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.113641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.113641 (E_RNA) where: Base-Base interactions energy: -24.556 where: short stacking energy: -24.556 Base-Backbone interact. energy: 0.530 local terms energy: -24.087181 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -5.309 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -40.022050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.022050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.022050 (E_RNA) where: Base-Base interactions energy: -15.821 where: short stacking energy: -15.821 Base-Backbone interact. energy: -0.045 local terms energy: -24.156203 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -0.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -38.364403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.364403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.364403 (E_RNA) where: Base-Base interactions energy: -14.380 where: short stacking energy: -12.024 Base-Backbone interact. energy: -0.007 local terms energy: -23.976900 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -1.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -32.203036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.203036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.203036 (E_RNA) where: Base-Base interactions energy: -12.908 where: short stacking energy: -9.946 Base-Backbone interact. energy: -0.134 local terms energy: -19.161519 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -0.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -36.479440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.479440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.479440 (E_RNA) where: Base-Base interactions energy: -13.988 where: short stacking energy: -13.988 Base-Backbone interact. energy: -0.114 local terms energy: -22.376828 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -4.058 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: 9 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -84.683975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.683975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.683975 (E_RNA) where: Base-Base interactions energy: -66.150 where: short stacking energy: -22.810 Base-Backbone interact. energy: -0.044 local terms energy: -18.490535 where: bonds (distance) C4'-P energy: -4.386 bonds (distance) P-C4' energy: -5.462 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: 0.142 tors. eta vs tors. theta energy: -4.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -83.401450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.401450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.401450 (E_RNA) where: Base-Base interactions energy: -60.569 where: short stacking energy: -21.691 Base-Backbone interact. energy: -0.004 local terms energy: -22.827875 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -2.117 tors. eta vs tors. theta energy: -2.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -83.610524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.610524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.610524 (E_RNA) where: Base-Base interactions energy: -56.495 where: short stacking energy: -22.661 Base-Backbone interact. energy: -0.001 local terms energy: -27.114624 where: bonds (distance) C4'-P energy: -5.124 bonds (distance) P-C4' energy: -4.459 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -5.265 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -55.231730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.231730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.231730 (E_RNA) where: Base-Base interactions energy: -28.321 where: short stacking energy: -18.411 Base-Backbone interact. energy: -0.062 local terms energy: -26.849392 where: bonds (distance) C4'-P energy: -4.793 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -3.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -78.331365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.331365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.331365 (E_RNA) where: Base-Base interactions energy: -50.413 where: short stacking energy: -21.804 Base-Backbone interact. energy: -0.000 local terms energy: -27.918077 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -2.682 tors. eta vs tors. theta energy: -5.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -50.036299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.036299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.036299 (E_RNA) where: Base-Base interactions energy: -22.171 where: short stacking energy: -22.171 Base-Backbone interact. energy: -0.000 local terms energy: -27.864818 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -4.794 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: 7, replica: 4 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -38.615989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.615989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.615989 (E_RNA) where: Base-Base interactions energy: -18.028 where: short stacking energy: -18.028 Base-Backbone interact. energy: -0.138 local terms energy: -20.449927 where: bonds (distance) C4'-P energy: -3.227 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -5.540 tors. eta vs tors. theta energy: 0.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -44.631142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.631142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.631142 (E_RNA) where: Base-Base interactions energy: -20.885 where: short stacking energy: -9.897 Base-Backbone interact. energy: 0.463 local terms energy: -24.208454 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.992 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -3.117 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: 8 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -34.705875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.705875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.705875 (E_RNA) where: Base-Base interactions energy: -13.869 where: short stacking energy: -13.869 Base-Backbone interact. energy: -0.000 local terms energy: -20.836684 where: bonds (distance) C4'-P energy: -3.824 bonds (distance) P-C4' energy: -5.376 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -1.007 tors. eta vs tors. theta energy: -3.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -41.512461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.512461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.512461 (E_RNA) where: Base-Base interactions energy: -18.430 where: short stacking energy: -18.430 Base-Backbone interact. energy: -0.007 local terms energy: -23.075283 where: bonds (distance) C4'-P energy: -3.952 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -2.445 tors. eta vs tors. theta energy: -4.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -84.720123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.720123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.720123 (E_RNA) where: Base-Base interactions energy: -57.540 where: short stacking energy: -20.954 Base-Backbone interact. energy: -1.152 local terms energy: -26.028165 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -1.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -84.952763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.952763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.952763 (E_RNA) where: Base-Base interactions energy: -59.469 where: short stacking energy: -21.682 Base-Backbone interact. energy: -0.002 local terms energy: -25.481133 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -4.620 flat angles P-C4'-P energy: -1.315 tors. eta vs tors. theta energy: -6.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -87.350348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.350348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.350348 (E_RNA) where: Base-Base interactions energy: -60.225 where: short stacking energy: -24.125 Base-Backbone interact. energy: -0.000 local terms energy: -27.125318 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -4.495 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: 107 Temperature: 1.050000 Total energy: -82.474564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.474564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.474564 (E_RNA) where: Base-Base interactions energy: -52.268 where: short stacking energy: -20.699 Base-Backbone interact. energy: 0.394 local terms energy: -30.599777 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -4.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -46.910324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.910324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.910324 (E_RNA) where: Base-Base interactions energy: -21.030 where: short stacking energy: -21.030 Base-Backbone interact. energy: -0.092 local terms energy: -25.788265 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -5.570 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -79.245058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.245058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.245058 (E_RNA) where: Base-Base interactions energy: -55.563 where: short stacking energy: -20.265 Base-Backbone interact. energy: -0.009 local terms energy: -23.673562 where: bonds (distance) C4'-P energy: -4.134 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -1.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -41.654129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.654129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.654129 (E_RNA) where: Base-Base interactions energy: -15.728 where: short stacking energy: -9.827 Base-Backbone interact. energy: -0.044 local terms energy: -25.882343 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -5.511 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -1.205 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: 107 Temperature: 1.250000 Total energy: -41.121662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.121662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.121662 (E_RNA) where: Base-Base interactions energy: -18.900 where: short stacking energy: -18.900 Base-Backbone interact. energy: -0.000 local terms energy: -22.221940 where: bonds (distance) C4'-P energy: -4.784 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -1.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -46.530909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.530909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.530909 (E_RNA) where: Base-Base interactions energy: -22.832 where: short stacking energy: -22.832 Base-Backbone interact. energy: -0.008 local terms energy: -23.690346 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -39.210860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.210860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.210860 (E_RNA) where: Base-Base interactions energy: -18.524 where: short stacking energy: -16.053 Base-Backbone interact. energy: -0.036 local terms energy: -20.650067 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -1.277 tors. eta vs tors. theta energy: 0.754 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: 2 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -89.974600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.974600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.974600 (E_RNA) where: Base-Base interactions energy: -64.029 where: short stacking energy: -25.079 Base-Backbone interact. energy: -0.005 local terms energy: -25.940653 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -4.947 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -0.482 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: 2, replica: 9 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -81.735493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.735493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.735493 (E_RNA) where: Base-Base interactions energy: -53.564 where: short stacking energy: -21.798 Base-Backbone interact. energy: -0.018 local terms energy: -28.154058 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -6.159 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: 108 Temperature: 1.000000 Total energy: -84.671531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.671531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.671531 (E_RNA) where: Base-Base interactions energy: -61.389 where: short stacking energy: -25.552 Base-Backbone interact. energy: -0.001 local terms energy: -23.281286 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.276 flat angles P-C4'-P energy: 0.502 tors. eta vs tors. theta energy: -4.782 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: 4, replica: 6 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -79.610448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.610448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.610448 (E_RNA) where: Base-Base interactions energy: -51.298 where: short stacking energy: -19.571 Base-Backbone interact. energy: -0.226 local terms energy: -28.086625 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -3.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -81.727702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.727702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.727702 (E_RNA) where: Base-Base interactions energy: -62.556 where: short stacking energy: -26.460 Base-Backbone interact. energy: -0.000 local terms energy: -19.172002 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -3.171 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -0.656 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -45.640051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.640051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.640051 (E_RNA) where: Base-Base interactions energy: -21.277 where: short stacking energy: -21.277 Base-Backbone interact. energy: -0.014 local terms energy: -24.348926 where: bonds (distance) C4'-P energy: -4.097 bonds (distance) P-C4' energy: -4.843 flat angles C4'-P-C4' energy: -6.962 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -3.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -52.963932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.963932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.963932 (E_RNA) where: Base-Base interactions energy: -28.109 where: short stacking energy: -9.900 Base-Backbone interact. energy: -0.099 local terms energy: -24.756358 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -49.964565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.964565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.964565 (E_RNA) where: Base-Base interactions energy: -21.658 where: short stacking energy: -21.658 Base-Backbone interact. energy: -0.040 local terms energy: -28.266438 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.534 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -4.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -38.012325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.012325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.012325 (E_RNA) where: Base-Base interactions energy: -17.199 where: short stacking energy: -17.199 Base-Backbone interact. energy: -0.004 local terms energy: -20.809484 where: bonds (distance) C4'-P energy: -5.413 bonds (distance) P-C4' energy: -5.087 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -37.532557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.532557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.532557 (E_RNA) where: Base-Base interactions energy: -18.875 where: short stacking energy: -13.662 Base-Backbone interact. energy: -0.141 local terms energy: -18.515921 where: bonds (distance) C4'-P energy: -2.742 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: 0.041 tors. eta vs tors. theta energy: -3.622 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: 109 Temperature: 0.900000 Total energy: -86.347540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.347540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.347540 (E_RNA) where: Base-Base interactions energy: -67.510 where: short stacking energy: -21.155 Base-Backbone interact. energy: -0.012 local terms energy: -18.824796 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -3.683 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: 2.090 tors. eta vs tors. theta energy: -5.408 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: 2, replica: 5 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -79.525277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.525277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.525277 (E_RNA) where: Base-Base interactions energy: -51.108 where: short stacking energy: -16.953 Base-Backbone interact. energy: -0.028 local terms energy: -28.388921 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -5.467 tors. eta vs tors. theta energy: -3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -95.180224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.180224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.180224 (E_RNA) where: Base-Base interactions energy: -71.792 where: short stacking energy: -27.519 Base-Backbone interact. energy: -0.008 local terms energy: -23.379830 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.457 flat angles P-C4'-P energy: 0.525 tors. eta vs tors. theta energy: -5.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -78.131644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.131644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.131644 (E_RNA) where: Base-Base interactions energy: -52.366 where: short stacking energy: -19.381 Base-Backbone interact. energy: -0.012 local terms energy: -25.753678 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -0.960 tors. eta vs tors. theta energy: -5.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -77.685921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.685921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.685921 (E_RNA) where: Base-Base interactions energy: -59.825 where: short stacking energy: -22.257 Base-Backbone interact. energy: -0.071 local terms energy: -17.790208 where: bonds (distance) C4'-P energy: -5.147 bonds (distance) P-C4' energy: -3.535 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -0.229 tors. eta vs tors. theta energy: -2.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -46.813343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.813343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.813343 (E_RNA) where: Base-Base interactions energy: -17.024 where: short stacking energy: -16.674 Base-Backbone interact. energy: -0.097 local terms energy: -29.692004 where: bonds (distance) C4'-P energy: -5.049 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -5.397 tors. eta vs tors. theta energy: -6.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -47.407041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.407041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.407041 (E_RNA) where: Base-Base interactions energy: -21.699 where: short stacking energy: -21.699 Base-Backbone interact. energy: -0.002 local terms energy: -25.705171 where: bonds (distance) C4'-P energy: -4.884 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -4.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -48.920753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.920753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.920753 (E_RNA) where: Base-Base interactions energy: -29.828 where: short stacking energy: -22.521 Base-Backbone interact. energy: 1.559 local terms energy: -20.651805 where: bonds (distance) C4'-P energy: -4.316 bonds (distance) P-C4' energy: -3.931 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -3.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -41.992577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.992577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.992577 (E_RNA) where: Base-Base interactions energy: -16.780 where: short stacking energy: -16.780 Base-Backbone interact. energy: -0.001 local terms energy: -25.212024 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -2.893 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: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -41.439256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.439256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.439256 (E_RNA) where: Base-Base interactions energy: -20.548 where: short stacking energy: -20.548 Base-Backbone interact. energy: -0.000 local terms energy: -20.891127 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -3.226 flat angles P-C4'-P energy: -3.073 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -82.086272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.086272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.086272 (E_RNA) where: Base-Base interactions energy: -54.336 where: short stacking energy: -22.094 Base-Backbone interact. energy: -0.014 local terms energy: -27.735792 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -4.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -83.448976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.448976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.448976 (E_RNA) where: Base-Base interactions energy: -59.453 where: short stacking energy: -23.675 Base-Backbone interact. energy: -0.008 local terms energy: -23.987705 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -1.355 tors. eta vs tors. theta energy: -3.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -83.574702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.574702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.574702 (E_RNA) where: Base-Base interactions energy: -59.072 where: short stacking energy: -16.198 Base-Backbone interact. energy: -0.000 local terms energy: -24.503054 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.139 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -1.010 tors. eta vs tors. theta energy: -6.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -88.336790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.336790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.336790 (E_RNA) where: Base-Base interactions energy: -67.721 where: short stacking energy: -24.678 Base-Backbone interact. energy: -0.739 local terms energy: -19.876753 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: 2.758 tors. eta vs tors. theta energy: -3.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -81.522720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.522720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.522720 (E_RNA) where: Base-Base interactions energy: -60.262 where: short stacking energy: -22.463 Base-Backbone interact. energy: -0.010 local terms energy: -21.250356 where: bonds (distance) C4'-P energy: -4.623 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: 0.424 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -45.684490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.684490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.684490 (E_RNA) where: Base-Base interactions energy: -24.894 where: short stacking energy: -14.548 Base-Backbone interact. energy: -0.107 local terms energy: -20.683152 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.948 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: 0.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -45.549310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.549310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.549310 (E_RNA) where: Base-Base interactions energy: -17.458 where: short stacking energy: -17.458 Base-Backbone interact. energy: -0.000 local terms energy: -28.091452 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -3.835 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: 8, replica: 3 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -40.266616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.266616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.266616 (E_RNA) where: Base-Base interactions energy: -13.591 where: short stacking energy: -13.591 Base-Backbone interact. energy: -0.009 local terms energy: -26.666337 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -5.481 tors. eta vs tors. theta energy: -2.572 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: 1 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -42.666768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.666768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.666768 (E_RNA) where: Base-Base interactions energy: -19.413 where: short stacking energy: -13.919 Base-Backbone interact. energy: -0.002 local terms energy: -23.251652 where: bonds (distance) C4'-P energy: -2.866 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -1.163 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -36.093495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.093495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.093495 (E_RNA) where: Base-Base interactions energy: -11.583 where: short stacking energy: -8.838 Base-Backbone interact. energy: -0.141 local terms energy: -24.369510 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: 0.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -86.360089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.360089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.360089 (E_RNA) where: Base-Base interactions energy: -61.378 where: short stacking energy: -24.509 Base-Backbone interact. energy: -0.000 local terms energy: -24.981454 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -5.652 flat angles C4'-P-C4' energy: -7.273 flat angles P-C4'-P energy: -1.285 tors. eta vs tors. theta energy: -3.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -81.035186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.035186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.035186 (E_RNA) where: Base-Base interactions energy: -55.615 where: short stacking energy: -23.379 Base-Backbone interact. energy: -0.021 local terms energy: -25.399788 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -1.282 tors. eta vs tors. theta energy: -4.351 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: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -82.284053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.284053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.284053 (E_RNA) where: Base-Base interactions energy: -60.843 where: short stacking energy: -21.509 Base-Backbone interact. energy: -0.036 local terms energy: -21.405018 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -2.727 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -80.614588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.614588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.614588 (E_RNA) where: Base-Base interactions energy: -58.163 where: short stacking energy: -18.970 Base-Backbone interact. energy: -0.002 local terms energy: -22.449280 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.986 flat angles P-C4'-P energy: 0.758 tors. eta vs tors. theta energy: -2.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -81.699048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.699048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.699048 (E_RNA) where: Base-Base interactions energy: -51.409 where: short stacking energy: -22.262 Base-Backbone interact. energy: -0.001 local terms energy: -30.289571 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -5.719 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: 10 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -46.676449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.676449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.676449 (E_RNA) where: Base-Base interactions energy: -19.076 where: short stacking energy: -19.076 Base-Backbone interact. energy: -0.000 local terms energy: -27.600609 where: bonds (distance) C4'-P energy: -4.638 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -5.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -49.436210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.436210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.436210 (E_RNA) where: Base-Base interactions energy: -24.114 where: short stacking energy: -24.114 Base-Backbone interact. energy: -0.004 local terms energy: -25.317948 where: bonds (distance) C4'-P energy: -4.321 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -4.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -43.557615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.557615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.557615 (E_RNA) where: Base-Base interactions energy: -17.963 where: short stacking energy: -13.214 Base-Backbone interact. energy: -0.166 local terms energy: -25.428393 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -1.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -42.666264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.666264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.666264 (E_RNA) where: Base-Base interactions energy: -20.882 where: short stacking energy: -20.209 Base-Backbone interact. energy: -0.000 local terms energy: -21.783856 where: bonds (distance) C4'-P energy: -5.222 bonds (distance) P-C4' energy: -4.378 flat angles C4'-P-C4' energy: -4.317 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -3.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -35.685098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.685098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.685098 (E_RNA) where: Base-Base interactions energy: -11.658 where: short stacking energy: -11.658 Base-Backbone interact. energy: -0.000 local terms energy: -24.026548 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -2.582 tors. eta vs tors. theta energy: -1.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -98.008996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.008996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.008996 (E_RNA) where: Base-Base interactions energy: -72.585 where: short stacking energy: -28.222 Base-Backbone interact. energy: -0.004 local terms energy: -25.420374 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: 2.443 tors. eta vs tors. theta energy: -7.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -85.330426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.330426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.330426 (E_RNA) where: Base-Base interactions energy: -62.151 where: short stacking energy: -23.807 Base-Backbone interact. energy: -0.028 local terms energy: -23.150862 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: 0.911 tors. eta vs tors. theta energy: -5.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -78.933346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.933346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.933346 (E_RNA) where: Base-Base interactions energy: -51.463 where: short stacking energy: -24.380 Base-Backbone interact. energy: -0.008 local terms energy: -27.462351 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -3.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -81.059543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.059543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.059543 (E_RNA) where: Base-Base interactions energy: -53.973 where: short stacking energy: -22.648 Base-Backbone interact. energy: -0.001 local terms energy: -27.084901 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -4.752 tors. eta vs tors. theta energy: -2.882 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: 5, replica: 9 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -83.624303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.624303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.624303 (E_RNA) where: Base-Base interactions energy: -55.365 where: short stacking energy: -25.405 Base-Backbone interact. energy: -0.000 local terms energy: -28.258842 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -5.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -51.645780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.645780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.645780 (E_RNA) where: Base-Base interactions energy: -24.001 where: short stacking energy: -24.001 Base-Backbone interact. energy: -0.004 local terms energy: -27.641067 where: bonds (distance) C4'-P energy: -3.624 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -4.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -43.244750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.244750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.244750 (E_RNA) where: Base-Base interactions energy: -16.531 where: short stacking energy: -16.531 Base-Backbone interact. energy: -0.026 local terms energy: -26.688167 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -5.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -42.389198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.389198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.389198 (E_RNA) where: Base-Base interactions energy: -18.133 where: short stacking energy: -18.133 Base-Backbone interact. energy: -0.103 local terms energy: -24.152671 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -3.053 tors. eta vs tors. theta energy: -2.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -41.753689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.753689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.753689 (E_RNA) where: Base-Base interactions energy: -18.231 where: short stacking energy: -18.231 Base-Backbone interact. energy: -0.002 local terms energy: -23.519946 where: bonds (distance) C4'-P energy: -4.536 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -5.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -45.028529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.028529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.028529 (E_RNA) where: Base-Base interactions energy: -21.159 where: short stacking energy: -17.304 Base-Backbone interact. energy: -0.003 local terms energy: -23.866385 where: bonds (distance) C4'-P energy: -4.420 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -2.444 tors. eta vs tors. theta energy: -3.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -95.131060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.131060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.131060 (E_RNA) where: Base-Base interactions energy: -73.677 where: short stacking energy: -27.850 Base-Backbone interact. energy: 0.107 local terms energy: -21.561116 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: 3.282 tors. eta vs tors. theta energy: -5.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -85.993138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.993138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.993138 (E_RNA) where: Base-Base interactions energy: -64.695 where: short stacking energy: -23.913 Base-Backbone interact. energy: -0.005 local terms energy: -21.293316 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.308 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: 0.230 tors. eta vs tors. theta energy: -2.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -80.499154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.499154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.499154 (E_RNA) where: Base-Base interactions energy: -58.066 where: short stacking energy: -21.712 Base-Backbone interact. energy: -0.000 local terms energy: -22.433441 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.293 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -0.813 tors. eta vs tors. theta energy: -4.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -82.654469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.654469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.654469 (E_RNA) where: Base-Base interactions energy: -58.663 where: short stacking energy: -21.061 Base-Backbone interact. energy: -0.208 local terms energy: -23.783710 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -4.459 flat angles C4'-P-C4' energy: -2.232 flat angles P-C4'-P energy: -2.947 tors. eta vs tors. theta energy: -6.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -80.712244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.712244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.712244 (E_RNA) where: Base-Base interactions energy: -51.719 where: short stacking energy: -26.334 Base-Backbone interact. energy: -0.004 local terms energy: -28.988745 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -4.145 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: 6, replica: 1 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -48.776311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.776311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.776311 (E_RNA) where: Base-Base interactions energy: -28.207 where: short stacking energy: -28.207 Base-Backbone interact. energy: -0.002 local terms energy: -20.566972 where: bonds (distance) C4'-P energy: -3.944 bonds (distance) P-C4' energy: -1.473 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -6.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -53.647877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.647877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.647877 (E_RNA) where: Base-Base interactions energy: -25.241 where: short stacking energy: -25.241 Base-Backbone interact. energy: -0.092 local terms energy: -28.315379 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -5.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -51.740946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.740946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.740946 (E_RNA) where: Base-Base interactions energy: -30.357 where: short stacking energy: -18.211 Base-Backbone interact. energy: -0.000 local terms energy: -21.383791 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -1.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -45.369346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.369346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.369346 (E_RNA) where: Base-Base interactions energy: -26.605 where: short stacking energy: -11.457 Base-Backbone interact. energy: -0.107 local terms energy: -18.657360 where: bonds (distance) C4'-P energy: -1.562 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: -1.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -44.988859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.988859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.988859 (E_RNA) where: Base-Base interactions energy: -20.700 where: short stacking energy: -20.125 Base-Backbone interact. energy: -0.000 local terms energy: -24.288060 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -3.864 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -6.332 tors. eta vs tors. theta energy: -2.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -95.192026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.192026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.192026 (E_RNA) where: Base-Base interactions energy: -71.612 where: short stacking energy: -28.897 Base-Backbone interact. energy: -0.026 local terms energy: -23.553174 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -0.948 tors. eta vs tors. theta energy: -5.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -85.671364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.671364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.671364 (E_RNA) where: Base-Base interactions energy: -62.542 where: short stacking energy: -23.563 Base-Backbone interact. energy: -0.015 local terms energy: -23.115172 where: bonds (distance) C4'-P energy: -3.890 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -2.413 tors. eta vs tors. theta energy: -6.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -78.498564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.498564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.498564 (E_RNA) where: Base-Base interactions energy: -52.631 where: short stacking energy: -22.784 Base-Backbone interact. energy: -0.082 local terms energy: -25.785480 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -0.499 tors. eta vs tors. theta energy: -4.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -81.609195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.609195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.609195 (E_RNA) where: Base-Base interactions energy: -57.873 where: short stacking energy: -22.941 Base-Backbone interact. energy: -0.003 local terms energy: -23.732723 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -4.936 flat angles P-C4'-P energy: -0.065 tors. eta vs tors. theta energy: -5.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -79.242476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.242476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.242476 (E_RNA) where: Base-Base interactions energy: -51.066 where: short stacking energy: -22.123 Base-Backbone interact. energy: -0.001 local terms energy: -28.175819 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -1.177 tors. eta vs tors. theta energy: -6.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -41.351360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.351360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.351360 (E_RNA) where: Base-Base interactions energy: -18.998 where: short stacking energy: -18.291 Base-Backbone interact. energy: 0.512 local terms energy: -22.865085 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: 1.410 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: 8 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -45.466465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.466465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.466465 (E_RNA) where: Base-Base interactions energy: -28.914 where: short stacking energy: -18.447 Base-Backbone interact. energy: -0.060 local terms energy: -16.492776 where: bonds (distance) C4'-P energy: -4.826 bonds (distance) P-C4' energy: -4.467 flat angles C4'-P-C4' energy: -1.939 flat angles P-C4'-P energy: -3.684 tors. eta vs tors. theta energy: -1.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -46.494052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.494052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.494052 (E_RNA) where: Base-Base interactions energy: -20.143 where: short stacking energy: -20.143 Base-Backbone interact. energy: -0.000 local terms energy: -26.350771 where: bonds (distance) C4'-P energy: -2.581 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -7.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -54.199794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.199794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.199794 (E_RNA) where: Base-Base interactions energy: -33.621 where: short stacking energy: -10.934 Base-Backbone interact. energy: -0.009 local terms energy: -20.569874 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -4.368 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -2.264 tors. eta vs tors. theta energy: -2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -47.249034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.249034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.249034 (E_RNA) where: Base-Base interactions energy: -21.415 where: short stacking energy: -21.415 Base-Backbone interact. energy: -0.011 local terms energy: -25.822456 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -93.164768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.164768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.164768 (E_RNA) where: Base-Base interactions energy: -72.352 where: short stacking energy: -29.453 Base-Backbone interact. energy: -0.021 local terms energy: -20.791700 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: 1.516 tors. eta vs tors. theta energy: -4.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -90.285485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.285485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.285485 (E_RNA) where: Base-Base interactions energy: -67.780 where: short stacking energy: -23.482 Base-Backbone interact. energy: -0.003 local terms energy: -22.501839 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -0.337 tors. eta vs tors. theta energy: -2.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -79.283708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.283708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.283708 (E_RNA) where: Base-Base interactions energy: -58.689 where: short stacking energy: -20.693 Base-Backbone interact. energy: -0.007 local terms energy: -20.587016 where: bonds (distance) C4'-P energy: -5.397 bonds (distance) P-C4' energy: -3.808 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: 0.569 tors. eta vs tors. theta energy: -5.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -80.818084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.818084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.818084 (E_RNA) where: Base-Base interactions energy: -57.864 where: short stacking energy: -20.247 Base-Backbone interact. energy: -0.005 local terms energy: -22.949804 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -0.208 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -80.266835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.266835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.266835 (E_RNA) where: Base-Base interactions energy: -58.171 where: short stacking energy: -24.025 Base-Backbone interact. energy: -0.000 local terms energy: -22.096203 where: bonds (distance) C4'-P energy: -4.482 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -47.908710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.908710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.908710 (E_RNA) where: Base-Base interactions energy: -25.108 where: short stacking energy: -25.108 Base-Backbone interact. energy: -0.000 local terms energy: -22.800835 where: bonds (distance) C4'-P energy: -3.765 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -51.368837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.368837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.368837 (E_RNA) where: Base-Base interactions energy: -22.270 where: short stacking energy: -22.270 Base-Backbone interact. energy: -0.000 local terms energy: -29.098939 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -3.855 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -7.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -48.577694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.577694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.577694 (E_RNA) where: Base-Base interactions energy: -21.959 where: short stacking energy: -21.487 Base-Backbone interact. energy: -0.000 local terms energy: -26.618433 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -5.121 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: 9, replica: 7 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -47.259886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.259886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.259886 (E_RNA) where: Base-Base interactions energy: -22.022 where: short stacking energy: -22.022 Base-Backbone interact. energy: -0.002 local terms energy: -25.236181 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -5.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -44.415258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.415258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.415258 (E_RNA) where: Base-Base interactions energy: -21.682 where: short stacking energy: -14.645 Base-Backbone interact. energy: -0.002 local terms energy: -22.731130 where: bonds (distance) C4'-P energy: -3.330 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -4.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -90.554529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.554529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.554529 (E_RNA) where: Base-Base interactions energy: -67.919 where: short stacking energy: -26.937 Base-Backbone interact. energy: -0.440 local terms energy: -22.195669 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -0.075 tors. eta vs tors. theta energy: -3.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -88.359785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.359785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.359785 (E_RNA) where: Base-Base interactions energy: -65.777 where: short stacking energy: -25.648 Base-Backbone interact. energy: -0.371 local terms energy: -22.211424 where: bonds (distance) C4'-P energy: -5.778 bonds (distance) P-C4' energy: -4.107 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: 0.683 tors. eta vs tors. theta energy: -6.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -80.707933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.707933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.707933 (E_RNA) where: Base-Base interactions energy: -60.564 where: short stacking energy: -23.910 Base-Backbone interact. energy: -0.011 local terms energy: -20.132378 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: 0.103 tors. eta vs tors. theta energy: -3.188 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: 2 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -90.425105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.425105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.425105 (E_RNA) where: Base-Base interactions energy: -68.004 where: short stacking energy: -24.130 Base-Backbone interact. energy: -0.001 local terms energy: -22.419648 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: 0.830 tors. eta vs tors. theta energy: -3.351 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: 5, replica: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -82.996910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.996910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.996910 (E_RNA) where: Base-Base interactions energy: -57.680 where: short stacking energy: -19.302 Base-Backbone interact. energy: -0.061 local terms energy: -25.255499 where: bonds (distance) C4'-P energy: -4.718 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -1.555 tors. eta vs tors. theta energy: -5.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -49.927749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.927749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.927749 (E_RNA) where: Base-Base interactions energy: -23.217 where: short stacking energy: -23.217 Base-Backbone interact. energy: -0.000 local terms energy: -26.710693 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -2.290 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -7.217 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: 10 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -49.833364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.833364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.833364 (E_RNA) where: Base-Base interactions energy: -24.397 where: short stacking energy: -19.297 Base-Backbone interact. energy: -0.024 local terms energy: -25.411692 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -2.982 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -5.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -44.023809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.023809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.023809 (E_RNA) where: Base-Base interactions energy: -18.782 where: short stacking energy: -18.782 Base-Backbone interact. energy: -0.109 local terms energy: -25.132358 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -3.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -37.463061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.463061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.463061 (E_RNA) where: Base-Base interactions energy: -17.825 where: short stacking energy: -12.477 Base-Backbone interact. energy: -0.001 local terms energy: -19.637136 where: bonds (distance) C4'-P energy: -4.229 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -0.197 tors. eta vs tors. theta energy: -1.794 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: 10, replica: 7 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -38.616011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.616011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.616011 (E_RNA) where: Base-Base interactions energy: -16.598 where: short stacking energy: -15.956 Base-Backbone interact. energy: -0.044 local terms energy: -21.974053 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -1.051 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -1.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -88.115104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.115104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.115104 (E_RNA) where: Base-Base interactions energy: -59.462 where: short stacking energy: -23.028 Base-Backbone interact. energy: -0.060 local terms energy: -28.593744 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -5.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -89.047363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.047363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.047363 (E_RNA) where: Base-Base interactions energy: -68.413 where: short stacking energy: -26.924 Base-Backbone interact. energy: -0.008 local terms energy: -20.626476 where: bonds (distance) C4'-P energy: -5.616 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: 2.539 tors. eta vs tors. theta energy: -6.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -77.577647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.577647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.577647 (E_RNA) where: Base-Base interactions energy: -53.083 where: short stacking energy: -23.596 Base-Backbone interact. energy: -0.001 local terms energy: -24.493330 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -4.907 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -82.892214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.892214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.892214 (E_RNA) where: Base-Base interactions energy: -63.762 where: short stacking energy: -23.692 Base-Backbone interact. energy: -0.091 local terms energy: -19.039063 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -4.424 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: 0.656 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: 5, replica: 5 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -49.573242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.573242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.573242 (E_RNA) where: Base-Base interactions energy: -22.154 where: short stacking energy: -22.154 Base-Backbone interact. energy: -0.000 local terms energy: -27.419119 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -6.786 flat angles P-C4'-P energy: -6.255 tors. eta vs tors. theta energy: -3.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -47.436377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.436377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.436377 (E_RNA) where: Base-Base interactions energy: -21.285 where: short stacking energy: -21.285 Base-Backbone interact. energy: -0.000 local terms energy: -26.150850 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.549 flat angles P-C4'-P energy: -1.923 tors. eta vs tors. theta energy: -5.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -50.302784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.302784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.302784 (E_RNA) where: Base-Base interactions energy: -22.669 where: short stacking energy: -22.669 Base-Backbone interact. energy: -0.000 local terms energy: -27.633995 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -6.575 flat angles C4'-P-C4' energy: -6.632 flat angles P-C4'-P energy: -2.427 tors. eta vs tors. theta energy: -6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -43.296885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.296885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.296885 (E_RNA) where: Base-Base interactions energy: -20.593 where: short stacking energy: -20.593 Base-Backbone interact. energy: -0.000 local terms energy: -22.703538 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -2.142 tors. eta vs tors. theta energy: -3.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -44.722373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.722373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.722373 (E_RNA) where: Base-Base interactions energy: -22.803 where: short stacking energy: -22.803 Base-Backbone interact. energy: -0.000 local terms energy: -21.919715 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.171 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -4.642 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: 7 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -39.320254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.320254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.320254 (E_RNA) where: Base-Base interactions energy: -13.668 where: short stacking energy: -13.668 Base-Backbone interact. energy: -0.000 local terms energy: -25.651831 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -6.931 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: -1.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -92.144270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.144270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.144270 (E_RNA) where: Base-Base interactions energy: -72.018 where: short stacking energy: -26.445 Base-Backbone interact. energy: 0.353 local terms energy: -20.480208 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.728 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: 2.385 tors. eta vs tors. theta energy: -5.031 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: 118 Temperature: 0.950000 Total energy: -81.661634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.661634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.661634 (E_RNA) where: Base-Base interactions energy: -55.029 where: short stacking energy: -24.535 Base-Backbone interact. energy: -0.000 local terms energy: -26.632528 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.057 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -3.097 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: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -78.989344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.989344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.989344 (E_RNA) where: Base-Base interactions energy: -51.916 where: short stacking energy: -22.600 Base-Backbone interact. energy: -0.230 local terms energy: -26.843448 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -5.733 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: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -77.321609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.321609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.321609 (E_RNA) where: Base-Base interactions energy: -58.581 where: short stacking energy: -25.172 Base-Backbone interact. energy: -0.000 local terms energy: -18.740322 where: bonds (distance) C4'-P energy: -4.494 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -0.141 tors. eta vs tors. theta energy: -2.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -51.876240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.876240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.876240 (E_RNA) where: Base-Base interactions energy: -28.435 where: short stacking energy: -28.435 Base-Backbone interact. energy: -0.000 local terms energy: -23.440959 where: bonds (distance) C4'-P energy: -4.961 bonds (distance) P-C4' energy: -4.952 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -5.462 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: 118 Temperature: 1.150000 Total energy: -50.840134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.840134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.840134 (E_RNA) where: Base-Base interactions energy: -27.273 where: short stacking energy: -27.273 Base-Backbone interact. energy: -0.003 local terms energy: -23.564180 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.763 flat angles P-C4'-P energy: 0.358 tors. eta vs tors. theta energy: -5.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -47.617091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.617091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.617091 (E_RNA) where: Base-Base interactions energy: -19.735 where: short stacking energy: -19.735 Base-Backbone interact. energy: -0.054 local terms energy: -27.827452 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -5.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -41.776783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.776783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.776783 (E_RNA) where: Base-Base interactions energy: -17.838 where: short stacking energy: -17.838 Base-Backbone interact. energy: -0.000 local terms energy: -23.938740 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -1.381 tors. eta vs tors. theta energy: -3.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -46.751250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.751250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.751250 (E_RNA) where: Base-Base interactions energy: -27.398 where: short stacking energy: -20.715 Base-Backbone interact. energy: -0.000 local terms energy: -19.353279 where: bonds (distance) C4'-P energy: -1.480 bonds (distance) P-C4' energy: -4.596 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -2.882 tors. eta vs tors. theta energy: -4.351 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: 118 Temperature: 1.350000 Total energy: -37.107697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.107697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.107697 (E_RNA) where: Base-Base interactions energy: -17.369 where: short stacking energy: -17.038 Base-Backbone interact. energy: -0.118 local terms energy: -19.620715 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -3.685 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -2.626 tors. eta vs tors. theta energy: -2.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -85.074309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.074309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.074309 (E_RNA) where: Base-Base interactions energy: -60.335 where: short stacking energy: -23.150 Base-Backbone interact. energy: 0.271 local terms energy: -25.010930 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -4.688 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -2.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -81.570512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.570512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.570512 (E_RNA) where: Base-Base interactions energy: -59.475 where: short stacking energy: -22.957 Base-Backbone interact. energy: -0.001 local terms energy: -22.094838 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.311 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -2.083 tors. eta vs tors. theta energy: -1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -85.907997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.907997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.907997 (E_RNA) where: Base-Base interactions energy: -62.681 where: short stacking energy: -23.902 Base-Backbone interact. energy: -0.062 local terms energy: -23.165808 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: 0.255 tors. eta vs tors. theta energy: -4.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -51.954676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.954676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.954676 (E_RNA) where: Base-Base interactions energy: -19.872 where: short stacking energy: -19.872 Base-Backbone interact. energy: -0.000 local terms energy: -32.082356 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -4.723 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: 5, replica: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -78.877365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.877365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.877365 (E_RNA) where: Base-Base interactions energy: -54.491 where: short stacking energy: -24.571 Base-Backbone interact. energy: -0.301 local terms energy: -24.085417 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: 0.803 tors. eta vs tors. theta energy: -4.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -60.265040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.265040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.265040 (E_RNA) where: Base-Base interactions energy: -32.893 where: short stacking energy: -32.893 Base-Backbone interact. energy: -0.000 local terms energy: -27.371822 where: bonds (distance) C4'-P energy: -4.548 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -3.951 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: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -52.719478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.719478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.719478 (E_RNA) where: Base-Base interactions energy: -31.388 where: short stacking energy: -16.234 Base-Backbone interact. energy: -0.000 local terms energy: -21.331454 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -2.386 flat angles P-C4'-P energy: -3.426 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: 8, replica: 7 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -54.690488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.690488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.690488 (E_RNA) where: Base-Base interactions energy: -34.950 where: short stacking energy: -23.745 Base-Backbone interact. energy: -0.054 local terms energy: -19.685709 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -5.974 flat angles C4'-P-C4' energy: -3.022 flat angles P-C4'-P energy: -2.142 tors. eta vs tors. theta energy: -5.246 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: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -49.235857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.235857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.235857 (E_RNA) where: Base-Base interactions energy: -20.680 where: short stacking energy: -20.680 Base-Backbone interact. energy: -0.000 local terms energy: -28.555701 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.673 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -6.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -33.163282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.163282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.163282 (E_RNA) where: Base-Base interactions energy: -9.181 where: short stacking energy: -9.181 Base-Backbone interact. energy: -0.083 local terms energy: -23.898882 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.465 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -1.130 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -87.116725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.116725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.116725 (E_RNA) where: Base-Base interactions energy: -58.096 where: short stacking energy: -22.619 Base-Backbone interact. energy: -0.000 local terms energy: -29.020268 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -4.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -79.660972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.660972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.660972 (E_RNA) where: Base-Base interactions energy: -52.446 where: short stacking energy: -20.046 Base-Backbone interact. energy: -0.382 local terms energy: -26.832921 where: bonds (distance) C4'-P energy: -6.005 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -3.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -91.092012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.092012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.092012 (E_RNA) where: Base-Base interactions energy: -65.693 where: short stacking energy: -24.870 Base-Backbone interact. energy: -0.009 local terms energy: -25.390259 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -2.108 tors. eta vs tors. theta energy: -6.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -57.970725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.970725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.970725 (E_RNA) where: Base-Base interactions energy: -25.008 where: short stacking energy: -25.008 Base-Backbone interact. energy: -0.001 local terms energy: -32.961789 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: -6.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -59.371913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.371913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.371913 (E_RNA) where: Base-Base interactions energy: -32.205 where: short stacking energy: -32.205 Base-Backbone interact. energy: -0.000 local terms energy: -27.167202 where: bonds (distance) C4'-P energy: -4.254 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: -6.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -80.436347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.436347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.436347 (E_RNA) where: Base-Base interactions energy: -55.006 where: short stacking energy: -26.452 Base-Backbone interact. energy: -0.368 local terms energy: -25.061940 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -2.864 tors. eta vs tors. theta energy: -6.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -43.134484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.134484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.134484 (E_RNA) where: Base-Base interactions energy: -19.216 where: short stacking energy: -19.216 Base-Backbone interact. energy: -0.050 local terms energy: -23.867733 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -3.976 flat angles C4'-P-C4' energy: -6.652 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -3.573 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: 120 Temperature: 1.250000 Total energy: -45.140254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.140254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.140254 (E_RNA) where: Base-Base interactions energy: -28.460 where: short stacking energy: -18.139 Base-Backbone interact. energy: -0.006 local terms energy: -16.673922 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -3.789 flat angles C4'-P-C4' energy: -4.314 flat angles P-C4'-P energy: -1.342 tors. eta vs tors. theta energy: -1.865 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: 9, replica: 1 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -41.451118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.451118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.451118 (E_RNA) where: Base-Base interactions energy: -15.452 where: short stacking energy: -15.452 Base-Backbone interact. energy: -0.003 local terms energy: -25.996607 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -44.788800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.788800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.788800 (E_RNA) where: Base-Base interactions energy: -22.120 where: short stacking energy: -13.373 Base-Backbone interact. energy: -0.017 local terms energy: -22.652574 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -4.734 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: -2.014 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: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -87.598722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.598722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.598722 (E_RNA) where: Base-Base interactions energy: -62.412 where: short stacking energy: -20.982 Base-Backbone interact. energy: -0.022 local terms energy: -25.164781 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: 1.005 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: 2, replica: 4 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -84.571108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.571108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.571108 (E_RNA) where: Base-Base interactions energy: -66.710 where: short stacking energy: -25.025 Base-Backbone interact. energy: -0.021 local terms energy: -17.840002 where: bonds (distance) C4'-P energy: -3.728 bonds (distance) P-C4' energy: -5.722 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: 0.866 tors. eta vs tors. theta energy: -4.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -87.740512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.740512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.740512 (E_RNA) where: Base-Base interactions energy: -66.336 where: short stacking energy: -25.405 Base-Backbone interact. energy: 0.028 local terms energy: -21.432298 where: bonds (distance) C4'-P energy: -5.479 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: 0.875 tors. eta vs tors. theta energy: -3.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -45.902515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.902515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.902515 (E_RNA) where: Base-Base interactions energy: -18.716 where: short stacking energy: -18.716 Base-Backbone interact. energy: -0.000 local terms energy: -27.186640 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.494 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -3.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -66.333340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.333340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.333340 (E_RNA) where: Base-Base interactions energy: -43.880 where: short stacking energy: -19.750 Base-Backbone interact. energy: 1.266 local terms energy: -23.719596 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: 0.259 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: 6, replica: 7 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -52.065640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.065640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.065640 (E_RNA) where: Base-Base interactions energy: -23.290 where: short stacking energy: -23.290 Base-Backbone interact. energy: -0.021 local terms energy: -28.755138 where: bonds (distance) C4'-P energy: -4.116 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.644 flat angles P-C4'-P energy: -5.299 tors. eta vs tors. theta energy: -4.670 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: 121 Temperature: 1.200000 Total energy: -74.658439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.658439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.658439 (E_RNA) where: Base-Base interactions energy: -45.814 where: short stacking energy: -22.343 Base-Backbone interact. energy: -0.028 local terms energy: -28.817064 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -6.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -43.571558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.571558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.571558 (E_RNA) where: Base-Base interactions energy: -18.115 where: short stacking energy: -18.115 Base-Backbone interact. energy: -0.006 local terms energy: -25.450069 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -1.555 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -41.590609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.590609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.590609 (E_RNA) where: Base-Base interactions energy: -20.841 where: short stacking energy: -10.242 Base-Backbone interact. energy: -0.005 local terms energy: -20.745254 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -3.926 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -2.323 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -41.744778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.744778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.744778 (E_RNA) where: Base-Base interactions energy: -18.425 where: short stacking energy: -18.425 Base-Backbone interact. energy: -0.000 local terms energy: -23.319669 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -1.353 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: 4 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -90.492014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.492014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.492014 (E_RNA) where: Base-Base interactions energy: -62.629 where: short stacking energy: -22.249 Base-Backbone interact. energy: -0.001 local terms energy: -27.862524 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -1.768 tors. eta vs tors. theta energy: -4.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -89.336113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.336113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.336113 (E_RNA) where: Base-Base interactions energy: -66.555 where: short stacking energy: -24.166 Base-Backbone interact. energy: -0.002 local terms energy: -22.779351 where: bonds (distance) C4'-P energy: -5.533 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: 0.725 tors. eta vs tors. theta energy: -5.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -82.219580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.219580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.219580 (E_RNA) where: Base-Base interactions energy: -53.625 where: short stacking energy: -24.072 Base-Backbone interact. energy: -0.000 local terms energy: -28.594608 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -5.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -62.781527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.781527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.781527 (E_RNA) where: Base-Base interactions energy: -29.738 where: short stacking energy: -29.738 Base-Backbone interact. energy: -0.000 local terms energy: -33.043183 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -7.965 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: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -80.827931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.827931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.827931 (E_RNA) where: Base-Base interactions energy: -56.712 where: short stacking energy: -19.555 Base-Backbone interact. energy: -0.004 local terms energy: -24.112215 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -6.720 flat angles P-C4'-P energy: -2.344 tors. eta vs tors. theta energy: -1.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -52.770502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.770502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.770502 (E_RNA) where: Base-Base interactions energy: -23.406 where: short stacking energy: -18.183 Base-Backbone interact. energy: -0.004 local terms energy: -29.360372 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -4.732 tors. eta vs tors. theta energy: -6.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -73.866668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.866668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.866668 (E_RNA) where: Base-Base interactions energy: -50.270 where: short stacking energy: -19.948 Base-Backbone interact. energy: -0.014 local terms energy: -23.582626 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -0.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -45.483353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.483353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.483353 (E_RNA) where: Base-Base interactions energy: -20.923 where: short stacking energy: -20.923 Base-Backbone interact. energy: -0.002 local terms energy: -24.558611 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -5.087 flat angles C4'-P-C4' energy: -6.828 flat angles P-C4'-P energy: -6.001 tors. eta vs tors. theta energy: -1.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -39.922968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.922968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.922968 (E_RNA) where: Base-Base interactions energy: -17.800 where: short stacking energy: -17.800 Base-Backbone interact. energy: -0.044 local terms energy: -22.078366 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -5.031 flat angles C4'-P-C4' energy: -3.406 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -2.655 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: 8 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -39.446070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.446070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.446070 (E_RNA) where: Base-Base interactions energy: -18.191 where: short stacking energy: -18.191 Base-Backbone interact. energy: -0.101 local terms energy: -21.154627 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -0.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -82.082603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.082603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.082603 (E_RNA) where: Base-Base interactions energy: -52.099 where: short stacking energy: -22.738 Base-Backbone interact. energy: -0.005 local terms energy: -29.977921 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -78.432319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.432319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.432319 (E_RNA) where: Base-Base interactions energy: -47.936 where: short stacking energy: -20.269 Base-Backbone interact. energy: -0.347 local terms energy: -30.148715 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -3.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -91.797566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.797566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.797566 (E_RNA) where: Base-Base interactions energy: -67.038 where: short stacking energy: -25.387 Base-Backbone interact. energy: -0.667 local terms energy: -24.092383 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: 2.207 tors. eta vs tors. theta energy: -6.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -80.548472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.548472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.548472 (E_RNA) where: Base-Base interactions energy: -60.213 where: short stacking energy: -25.847 Base-Backbone interact. energy: -0.016 local terms energy: -20.319394 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.686 flat angles P-C4'-P energy: -1.459 tors. eta vs tors. theta energy: 0.204 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: 5, replica: 3 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -49.399380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.399380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.399380 (E_RNA) where: Base-Base interactions energy: -20.956 where: short stacking energy: -20.444 Base-Backbone interact. energy: -0.000 local terms energy: -28.442814 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -4.921 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -77.352980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.352980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.352980 (E_RNA) where: Base-Base interactions energy: -51.062 where: short stacking energy: -19.103 Base-Backbone interact. energy: -0.001 local terms energy: -26.290368 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -7.547 flat angles P-C4'-P energy: -1.345 tors. eta vs tors. theta energy: -5.013 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: 7 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -55.354239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.354239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.354239 (E_RNA) where: Base-Base interactions energy: -33.990 where: short stacking energy: -22.366 Base-Backbone interact. energy: -0.006 local terms energy: -21.357689 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -1.541 tors. eta vs tors. theta energy: -3.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -39.614888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.614888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.614888 (E_RNA) where: Base-Base interactions energy: -16.790 where: short stacking energy: -16.582 Base-Backbone interact. energy: -0.020 local terms energy: -22.804872 where: bonds (distance) C4'-P energy: -4.514 bonds (distance) P-C4' energy: -4.814 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -44.482227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.482227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.482227 (E_RNA) where: Base-Base interactions energy: -16.520 where: short stacking energy: -6.605 Base-Backbone interact. energy: -0.466 local terms energy: -27.496060 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -3.565 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -40.079218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.079218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.079218 (E_RNA) where: Base-Base interactions energy: -17.515 where: short stacking energy: -17.515 Base-Backbone interact. energy: -0.000 local terms energy: -22.563702 where: bonds (distance) C4'-P energy: -4.457 bonds (distance) P-C4' energy: -3.709 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -4.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -88.428044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.428044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.428044 (E_RNA) where: Base-Base interactions energy: -62.005 where: short stacking energy: -23.305 Base-Backbone interact. energy: -0.000 local terms energy: -26.422837 where: bonds (distance) C4'-P energy: -5.239 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -2.442 tors. eta vs tors. theta energy: -5.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -91.990119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.990119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.990119 (E_RNA) where: Base-Base interactions energy: -65.205 where: short stacking energy: -23.372 Base-Backbone interact. energy: -0.004 local terms energy: -26.781332 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.689 flat angles P-C4'-P energy: -2.068 tors. eta vs tors. theta energy: -5.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -84.285345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.285345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.285345 (E_RNA) where: Base-Base interactions energy: -62.852 where: short stacking energy: -18.454 Base-Backbone interact. energy: -0.004 local terms energy: -21.428386 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.084 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -2.626 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: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -90.181443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.181443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.181443 (E_RNA) where: Base-Base interactions energy: -67.601 where: short stacking energy: -27.456 Base-Backbone interact. energy: -0.012 local terms energy: -22.568775 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.375 flat angles P-C4'-P energy: 0.378 tors. eta vs tors. theta energy: -4.145 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: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -77.975274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.975274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.975274 (E_RNA) where: Base-Base interactions energy: -54.431 where: short stacking energy: -24.027 Base-Backbone interact. energy: -0.000 local terms energy: -23.543508 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -3.217 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -49.448407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.448407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.448407 (E_RNA) where: Base-Base interactions energy: -24.372 where: short stacking energy: -24.372 Base-Backbone interact. energy: -0.002 local terms energy: -25.074304 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -2.524 tors. eta vs tors. theta energy: -3.938 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: 7 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -59.271422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.271422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.271422 (E_RNA) where: Base-Base interactions energy: -40.866 where: short stacking energy: -19.001 Base-Backbone interact. energy: -0.001 local terms energy: -18.405054 where: bonds (distance) C4'-P energy: -2.457 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -1.917 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: -3.718 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: 10 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -38.243476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.243476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.243476 (E_RNA) where: Base-Base interactions energy: -21.447 where: short stacking energy: -21.447 Base-Backbone interact. energy: -0.063 local terms energy: -16.734180 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: 1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -41.018433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.018433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.018433 (E_RNA) where: Base-Base interactions energy: -19.517 where: short stacking energy: -18.849 Base-Backbone interact. energy: -0.000 local terms energy: -21.500939 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -3.709 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -3.717 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: 10, replica: 1 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -39.874082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.874082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.874082 (E_RNA) where: Base-Base interactions energy: -21.049 where: short stacking energy: -21.049 Base-Backbone interact. energy: -0.016 local terms energy: -18.809318 where: bonds (distance) C4'-P energy: -3.238 bonds (distance) P-C4' energy: -5.056 flat angles C4'-P-C4' energy: -6.743 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -0.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -91.938278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.938278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.938278 (E_RNA) where: Base-Base interactions energy: -64.611 where: short stacking energy: -23.360 Base-Backbone interact. energy: -0.001 local terms energy: -27.326556 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -4.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -85.255689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.255689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.255689 (E_RNA) where: Base-Base interactions energy: -59.620 where: short stacking energy: -20.032 Base-Backbone interact. energy: -0.004 local terms energy: -25.631752 where: bonds (distance) C4'-P energy: -4.552 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -5.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -82.704258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.704258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.704258 (E_RNA) where: Base-Base interactions energy: -59.235 where: short stacking energy: -20.854 Base-Backbone interact. energy: -0.071 local terms energy: -23.397650 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -4.895 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -1.385 tors. eta vs tors. theta energy: -4.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -83.178938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.178938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.178938 (E_RNA) where: Base-Base interactions energy: -64.543 where: short stacking energy: -22.694 Base-Backbone interact. energy: -0.102 local terms energy: -18.533886 where: bonds (distance) C4'-P energy: -5.525 bonds (distance) P-C4' energy: -6.225 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -0.871 tors. eta vs tors. theta energy: -0.695 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: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -76.675887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.675887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.675887 (E_RNA) where: Base-Base interactions energy: -50.748 where: short stacking energy: -23.202 Base-Backbone interact. energy: -0.002 local terms energy: -25.926255 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -1.207 tors. eta vs tors. theta energy: -5.479 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: 125 Temperature: 1.150000 Total energy: -43.287206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.287206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.287206 (E_RNA) where: Base-Base interactions energy: -21.420 where: short stacking energy: -17.588 Base-Backbone interact. energy: -0.022 local terms energy: -21.845280 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -54.506069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.506069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.506069 (E_RNA) where: Base-Base interactions energy: -26.034 where: short stacking energy: -26.034 Base-Backbone interact. energy: -0.001 local terms energy: -28.471090 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -4.170 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -4.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -54.775089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.775089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.775089 (E_RNA) where: Base-Base interactions energy: -32.698 where: short stacking energy: -22.014 Base-Backbone interact. energy: -0.003 local terms energy: -22.074430 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: -1.077 tors. eta vs tors. theta energy: -3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -52.391054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.391054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.391054 (E_RNA) where: Base-Base interactions energy: -21.309 where: short stacking energy: -21.309 Base-Backbone interact. energy: -0.000 local terms energy: -31.081585 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -3.030 tors. eta vs tors. theta energy: -7.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -38.765845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.765845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.765845 (E_RNA) where: Base-Base interactions energy: -18.098 where: short stacking energy: -13.483 Base-Backbone interact. energy: -0.132 local terms energy: -20.535503 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -5.455 flat angles C4'-P-C4' energy: -3.788 flat angles P-C4'-P energy: -4.892 tors. eta vs tors. theta energy: -0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -89.014809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.014809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.014809 (E_RNA) where: Base-Base interactions energy: -62.312 where: short stacking energy: -23.740 Base-Backbone interact. energy: -0.001 local terms energy: -26.702394 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -0.029 tors. eta vs tors. theta energy: -7.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -86.961175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.961175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.961175 (E_RNA) where: Base-Base interactions energy: -63.769 where: short stacking energy: -19.794 Base-Backbone interact. energy: -0.336 local terms energy: -22.855474 where: bonds (distance) C4'-P energy: -5.062 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -0.271 tors. eta vs tors. theta energy: -6.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -79.794369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.794369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.794369 (E_RNA) where: Base-Base interactions energy: -51.662 where: short stacking energy: -20.048 Base-Backbone interact. energy: -0.096 local terms energy: -28.036101 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.419 flat angles P-C4'-P energy: -3.402 tors. eta vs tors. theta energy: -5.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -77.401596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.401596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.401596 (E_RNA) where: Base-Base interactions energy: -54.938 where: short stacking energy: -19.730 Base-Backbone interact. energy: -0.007 local terms energy: -22.456686 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -1.890 tors. eta vs tors. theta energy: -2.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -55.443179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.443179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.443179 (E_RNA) where: Base-Base interactions energy: -31.741 where: short stacking energy: -16.749 Base-Backbone interact. energy: -0.062 local terms energy: -23.639476 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.076 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -2.549 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: 6 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -77.961324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.961324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.961324 (E_RNA) where: Base-Base interactions energy: -56.532 where: short stacking energy: -18.083 Base-Backbone interact. energy: -0.005 local terms energy: -21.424424 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -1.176 tors. eta vs tors. theta energy: -1.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -40.351369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.351369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.351369 (E_RNA) where: Base-Base interactions energy: -13.312 where: short stacking energy: -13.312 Base-Backbone interact. energy: -0.040 local terms energy: -26.999363 where: bonds (distance) C4'-P energy: -4.635 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -4.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -43.729333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.729333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.729333 (E_RNA) where: Base-Base interactions energy: -18.863 where: short stacking energy: -18.863 Base-Backbone interact. energy: -0.033 local terms energy: -24.832898 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -3.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -43.972495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.972495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.972495 (E_RNA) where: Base-Base interactions energy: -24.942 where: short stacking energy: -12.987 Base-Backbone interact. energy: -0.130 local terms energy: -18.900296 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -3.504 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -0.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -42.447080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.447080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.447080 (E_RNA) where: Base-Base interactions energy: -19.980 where: short stacking energy: -19.980 Base-Backbone interact. energy: -0.000 local terms energy: -22.466901 where: bonds (distance) C4'-P energy: -2.524 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: -3.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -89.089556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.089556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.089556 (E_RNA) where: Base-Base interactions energy: -66.754 where: short stacking energy: -26.035 Base-Backbone interact. energy: -0.002 local terms energy: -22.333912 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: 3.320 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: 2, replica: 4 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -81.931869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.931869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.931869 (E_RNA) where: Base-Base interactions energy: -56.406 where: short stacking energy: -24.413 Base-Backbone interact. energy: -0.000 local terms energy: -25.525489 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: 0.086 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: 3, replica: 2 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -82.091045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.091045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.091045 (E_RNA) where: Base-Base interactions energy: -54.417 where: short stacking energy: -24.711 Base-Backbone interact. energy: -0.052 local terms energy: -27.621893 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -6.557 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -4.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -80.192981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.192981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.192981 (E_RNA) where: Base-Base interactions energy: -51.259 where: short stacking energy: -28.566 Base-Backbone interact. energy: -0.000 local terms energy: -28.934102 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -2.645 tors. eta vs tors. theta energy: -5.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -55.796712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.796712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.796712 (E_RNA) where: Base-Base interactions energy: -27.965 where: short stacking energy: -27.965 Base-Backbone interact. energy: -0.002 local terms energy: -27.829899 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -3.488 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -6.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -83.267070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.267070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.267070 (E_RNA) where: Base-Base interactions energy: -58.778 where: short stacking energy: -21.077 Base-Backbone interact. energy: 0.033 local terms energy: -24.521471 where: bonds (distance) C4'-P energy: -5.773 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.687 flat angles P-C4'-P energy: -1.693 tors. eta vs tors. theta energy: -3.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -48.866464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.866464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.866464 (E_RNA) where: Base-Base interactions energy: -18.890 where: short stacking energy: -18.890 Base-Backbone interact. energy: -0.047 local terms energy: -29.929215 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -5.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -42.281990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.281990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.281990 (E_RNA) where: Base-Base interactions energy: -18.200 where: short stacking energy: -18.200 Base-Backbone interact. energy: -0.000 local terms energy: -24.082180 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -3.621 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -3.772 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: 9, replica: 3 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -40.111294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.111294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.111294 (E_RNA) where: Base-Base interactions energy: -17.872 where: short stacking energy: -17.872 Base-Backbone interact. energy: -0.001 local terms energy: -22.238448 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -3.214 flat angles P-C4'-P energy: -0.378 tors. eta vs tors. theta energy: -5.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -39.140141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.140141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.140141 (E_RNA) where: Base-Base interactions energy: -11.749 where: short stacking energy: -11.749 Base-Backbone interact. energy: -0.000 local terms energy: -27.391034 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -4.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -81.929463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.929463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.929463 (E_RNA) where: Base-Base interactions energy: -53.193 where: short stacking energy: -20.113 Base-Backbone interact. energy: -0.099 local terms energy: -28.637401 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -0.757 tors. eta vs tors. theta energy: -6.744 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: 2, replica: 9 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -86.660347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.660347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.660347 (E_RNA) where: Base-Base interactions energy: -60.978 where: short stacking energy: -21.769 Base-Backbone interact. energy: -0.000 local terms energy: -25.681914 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -1.620 tors. eta vs tors. theta energy: -6.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -84.435634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.435634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.435634 (E_RNA) where: Base-Base interactions energy: -60.455 where: short stacking energy: -22.645 Base-Backbone interact. energy: -0.000 local terms energy: -23.979958 where: bonds (distance) C4'-P energy: -2.515 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -4.909 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: 5 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -76.363234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.363234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.363234 (E_RNA) where: Base-Base interactions energy: -52.045 where: short stacking energy: -24.227 Base-Backbone interact. energy: -0.024 local terms energy: -24.294271 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.706 tors. eta vs tors. theta energy: -3.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -78.471004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.471004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.471004 (E_RNA) where: Base-Base interactions energy: -51.162 where: short stacking energy: -20.890 Base-Backbone interact. energy: -0.070 local terms energy: -27.238362 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -1.158 tors. eta vs tors. theta energy: -6.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -49.063188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.063188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.063188 (E_RNA) where: Base-Base interactions energy: -26.308 where: short stacking energy: -19.576 Base-Backbone interact. energy: -0.003 local terms energy: -22.752209 where: bonds (distance) C4'-P energy: -5.223 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -2.627 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: 1 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -40.924115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.924115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.924115 (E_RNA) where: Base-Base interactions energy: -15.225 where: short stacking energy: -15.225 Base-Backbone interact. energy: -0.031 local terms energy: -25.667625 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -0.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -51.256631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.256631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.256631 (E_RNA) where: Base-Base interactions energy: -23.025 where: short stacking energy: -23.025 Base-Backbone interact. energy: -0.002 local terms energy: -28.229760 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -4.147 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: 9, replica: 10 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -41.064859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.064859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.064859 (E_RNA) where: Base-Base interactions energy: -16.531 where: short stacking energy: -15.685 Base-Backbone interact. energy: -0.032 local terms energy: -24.502772 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -1.875 tors. eta vs tors. theta energy: -3.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -38.146439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.146439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.146439 (E_RNA) where: Base-Base interactions energy: -15.342 where: short stacking energy: -15.342 Base-Backbone interact. energy: -0.003 local terms energy: -22.800964 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -4.315 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -2.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -84.939663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.939663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.939663 (E_RNA) where: Base-Base interactions energy: -58.103 where: short stacking energy: -25.761 Base-Backbone interact. energy: -0.002 local terms energy: -26.834127 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.310 flat angles P-C4'-P energy: -2.747 tors. eta vs tors. theta energy: -5.549 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: 2 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -87.881000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.881000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.881000 (E_RNA) where: Base-Base interactions energy: -66.530 where: short stacking energy: -21.469 Base-Backbone interact. energy: -0.067 local terms energy: -21.283278 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: 1.685 tors. eta vs tors. theta energy: -4.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -81.752716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.752716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.752716 (E_RNA) where: Base-Base interactions energy: -59.225 where: short stacking energy: -21.764 Base-Backbone interact. energy: -0.001 local terms energy: -22.527551 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -3.892 flat angles P-C4'-P energy: -1.479 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: 4, replica: 6 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -85.356599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.356599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.356599 (E_RNA) where: Base-Base interactions energy: -62.444 where: short stacking energy: -22.900 Base-Backbone interact. energy: -0.001 local terms energy: -22.911057 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -1.157 tors. eta vs tors. theta energy: -4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -83.663516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.663516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.663516 (E_RNA) where: Base-Base interactions energy: -65.959 where: short stacking energy: -25.959 Base-Backbone interact. energy: -0.103 local terms energy: -17.600944 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -3.624 flat angles P-C4'-P energy: 2.513 tors. eta vs tors. theta energy: -5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -49.502240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.502240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.502240 (E_RNA) where: Base-Base interactions energy: -23.280 where: short stacking energy: -17.976 Base-Backbone interact. energy: -0.088 local terms energy: -26.133973 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: -3.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -49.898816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.898816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.898816 (E_RNA) where: Base-Base interactions energy: -22.376 where: short stacking energy: -22.376 Base-Backbone interact. energy: -0.007 local terms energy: -27.515743 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -2.923 flat angles P-C4'-P energy: -5.296 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: 8, replica: 10 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -47.902716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.902716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.902716 (E_RNA) where: Base-Base interactions energy: -20.329 where: short stacking energy: -20.329 Base-Backbone interact. energy: -0.003 local terms energy: -27.570398 where: bonds (distance) C4'-P energy: -5.483 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -36.957637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.957637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.957637 (E_RNA) where: Base-Base interactions energy: -18.655 where: short stacking energy: -18.655 Base-Backbone interact. energy: -0.032 local terms energy: -18.270540 where: bonds (distance) C4'-P energy: -2.072 bonds (distance) P-C4' energy: -3.986 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -1.336 tors. eta vs tors. theta energy: -4.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -46.972525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.972525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.972525 (E_RNA) where: Base-Base interactions energy: -22.079 where: short stacking energy: -16.471 Base-Backbone interact. energy: -0.016 local terms energy: -24.877357 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -80.874132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.874132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.874132 (E_RNA) where: Base-Base interactions energy: -51.768 where: short stacking energy: -22.926 Base-Backbone interact. energy: -0.007 local terms energy: -29.099153 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -4.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -80.801494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.801494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.801494 (E_RNA) where: Base-Base interactions energy: -49.005 where: short stacking energy: -21.065 Base-Backbone interact. energy: -0.894 local terms energy: -30.902409 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -4.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -90.908272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.908272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.908272 (E_RNA) where: Base-Base interactions energy: -69.032 where: short stacking energy: -28.560 Base-Backbone interact. energy: -0.761 local terms energy: -21.115029 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -4.011 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -2.466 tors. eta vs tors. theta energy: -2.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -86.908038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.908038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.908038 (E_RNA) where: Base-Base interactions energy: -63.748 where: short stacking energy: -21.237 Base-Backbone interact. energy: -0.014 local terms energy: -23.146301 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: 0.944 tors. eta vs tors. theta energy: -3.882 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: 5, replica: 1 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -51.686769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.686769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.686769 (E_RNA) where: Base-Base interactions energy: -24.516 where: short stacking energy: -24.516 Base-Backbone interact. energy: -0.258 local terms energy: -26.913435 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.719 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -47.653052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.653052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.653052 (E_RNA) where: Base-Base interactions energy: -19.630 where: short stacking energy: -19.630 Base-Backbone interact. energy: -0.003 local terms energy: -28.019745 where: bonds (distance) C4'-P energy: -6.776 bonds (distance) P-C4' energy: -4.992 flat angles C4'-P-C4' energy: -5.155 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -6.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -47.717930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.717930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.717930 (E_RNA) where: Base-Base interactions energy: -19.656 where: short stacking energy: -15.745 Base-Backbone interact. energy: -0.000 local terms energy: -28.062208 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -2.167 tors. eta vs tors. theta energy: -6.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -43.853227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.853227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.853227 (E_RNA) where: Base-Base interactions energy: -21.219 where: short stacking energy: -21.219 Base-Backbone interact. energy: -0.008 local terms energy: -22.626140 where: bonds (distance) C4'-P energy: -4.129 bonds (distance) P-C4' energy: -5.247 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: -3.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -51.974893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.974893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.974893 (E_RNA) where: Base-Base interactions energy: -26.008 where: short stacking energy: -26.008 Base-Backbone interact. energy: -0.000 local terms energy: -25.967371 where: bonds (distance) C4'-P energy: -4.192 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -1.719 tors. eta vs tors. theta energy: -6.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -39.953631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.953631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.953631 (E_RNA) where: Base-Base interactions energy: -16.032 where: short stacking energy: -15.620 Base-Backbone interact. energy: -0.033 local terms energy: -23.888209 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -0.549 tors. eta vs tors. theta energy: -3.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -87.480028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.480028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.480028 (E_RNA) where: Base-Base interactions energy: -65.051 where: short stacking energy: -25.597 Base-Backbone interact. energy: -0.041 local terms energy: -22.388811 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -0.321 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -94.774619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.774619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.774619 (E_RNA) where: Base-Base interactions energy: -73.085 where: short stacking energy: -27.154 Base-Backbone interact. energy: -0.055 local terms energy: -21.634573 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.053 flat angles P-C4'-P energy: 2.418 tors. eta vs tors. theta energy: -4.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -82.394550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.394550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.394550 (E_RNA) where: Base-Base interactions energy: -54.790 where: short stacking energy: -24.628 Base-Backbone interact. energy: -0.003 local terms energy: -27.600944 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.677 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -5.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -79.662529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.662529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.662529 (E_RNA) where: Base-Base interactions energy: -57.503 where: short stacking energy: -24.194 Base-Backbone interact. energy: -0.000 local terms energy: -22.158975 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -5.293 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: -0.610 tors. eta vs tors. theta energy: -1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -51.423072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.423072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.423072 (E_RNA) where: Base-Base interactions energy: -22.784 where: short stacking energy: -22.784 Base-Backbone interact. energy: -0.000 local terms energy: -28.639439 where: bonds (distance) C4'-P energy: -5.493 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -4.887 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: 6, replica: 7 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -47.112043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.112043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.112043 (E_RNA) where: Base-Base interactions energy: -21.729 where: short stacking energy: -21.729 Base-Backbone interact. energy: -0.000 local terms energy: -25.383054 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -4.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -42.667145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.667145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.667145 (E_RNA) where: Base-Base interactions energy: -19.002 where: short stacking energy: -19.002 Base-Backbone interact. energy: -0.528 local terms energy: -23.137329 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -2.979 tors. eta vs tors. theta energy: -1.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -40.638236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.638236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.638236 (E_RNA) where: Base-Base interactions energy: -14.793 where: short stacking energy: -11.111 Base-Backbone interact. energy: 0.003 local terms energy: -25.848467 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.652 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -1.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -41.274701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.274701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.274701 (E_RNA) where: Base-Base interactions energy: -23.370 where: short stacking energy: -23.370 Base-Backbone interact. energy: -0.002 local terms energy: -17.902764 where: bonds (distance) C4'-P energy: -4.656 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -1.973 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -3.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -41.831596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.831596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.831596 (E_RNA) where: Base-Base interactions energy: -24.539 where: short stacking energy: -10.534 Base-Backbone interact. energy: -0.117 local terms energy: -17.175528 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.784 flat angles C4'-P-C4' energy: -5.178 flat angles P-C4'-P energy: -1.524 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: 6 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -97.358885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.358885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.358885 (E_RNA) where: Base-Base interactions energy: -74.600 where: short stacking energy: -30.433 Base-Backbone interact. energy: -0.001 local terms energy: -22.757350 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: 1.170 tors. eta vs tors. theta energy: -5.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -91.912459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.912459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.912459 (E_RNA) where: Base-Base interactions energy: -71.410 where: short stacking energy: -26.837 Base-Backbone interact. energy: -0.013 local terms energy: -20.489114 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: 1.278 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -85.186890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.186890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.186890 (E_RNA) where: Base-Base interactions energy: -59.764 where: short stacking energy: -24.037 Base-Backbone interact. energy: -0.001 local terms energy: -25.421927 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -1.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -79.105439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.105439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.105439 (E_RNA) where: Base-Base interactions energy: -57.971 where: short stacking energy: -26.509 Base-Backbone interact. energy: -0.003 local terms energy: -21.131362 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -1.554 tors. eta vs tors. theta energy: -1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -48.664488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.664488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.664488 (E_RNA) where: Base-Base interactions energy: -30.685 where: short stacking energy: -18.696 Base-Backbone interact. energy: -0.038 local terms energy: -17.942313 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -4.400 flat angles C4'-P-C4' energy: -2.439 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -0.230 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: 132 Temperature: 1.150000 Total energy: -49.714053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.714053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.714053 (E_RNA) where: Base-Base interactions energy: -22.699 where: short stacking energy: -16.510 Base-Backbone interact. energy: -0.139 local terms energy: -26.875775 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -3.182 tors. eta vs tors. theta energy: -2.308 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: 5 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -47.439615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.439615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.439615 (E_RNA) where: Base-Base interactions energy: -23.942 where: short stacking energy: -15.175 Base-Backbone interact. energy: -0.296 local terms energy: -23.201148 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -2.741 tors. eta vs tors. theta energy: -2.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -46.816867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.816867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.816867 (E_RNA) where: Base-Base interactions energy: -19.978 where: short stacking energy: -19.978 Base-Backbone interact. energy: -0.000 local terms energy: -26.839014 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -4.388 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -2.304 tors. eta vs tors. theta energy: -6.705 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: 9, replica: 10 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -49.128021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.128021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.128021 (E_RNA) where: Base-Base interactions energy: -23.656 where: short stacking energy: -23.656 Base-Backbone interact. energy: -0.014 local terms energy: -25.457249 where: bonds (distance) C4'-P energy: -3.579 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -5.016 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: 3 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -43.742519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.742519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.742519 (E_RNA) where: Base-Base interactions energy: -26.668 where: short stacking energy: -14.532 Base-Backbone interact. energy: -0.067 local terms energy: -17.007994 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -2.511 flat angles P-C4'-P energy: -1.257 tors. eta vs tors. theta energy: -0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -87.889387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.889387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.889387 (E_RNA) where: Base-Base interactions energy: -63.696 where: short stacking energy: -23.214 Base-Backbone interact. energy: -0.001 local terms energy: -24.191587 where: bonds (distance) C4'-P energy: -4.188 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -1.701 tors. eta vs tors. theta energy: -5.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -98.280698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.280698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.280698 (E_RNA) where: Base-Base interactions energy: -72.346 where: short stacking energy: -28.000 Base-Backbone interact. energy: -0.196 local terms energy: -25.738015 where: bonds (distance) C4'-P energy: -5.703 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -7.624 flat angles P-C4'-P energy: -1.593 tors. eta vs tors. theta energy: -4.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -79.686581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.686581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.686581 (E_RNA) where: Base-Base interactions energy: -53.978 where: short stacking energy: -22.833 Base-Backbone interact. energy: -0.004 local terms energy: -25.704332 where: bonds (distance) C4'-P energy: -4.506 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -3.560 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: 4, replica: 9 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -79.393714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.393714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.393714 (E_RNA) where: Base-Base interactions energy: -50.578 where: short stacking energy: -22.462 Base-Backbone interact. energy: -0.001 local terms energy: -28.814460 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -2.792 tors. eta vs tors. theta energy: -7.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -56.380348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.380348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.380348 (E_RNA) where: Base-Base interactions energy: -30.823 where: short stacking energy: -30.823 Base-Backbone interact. energy: -0.000 local terms energy: -25.556749 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -4.557 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -2.554 tors. eta vs tors. theta energy: -7.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -44.327579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.327579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.327579 (E_RNA) where: Base-Base interactions energy: -18.477 where: short stacking energy: -16.980 Base-Backbone interact. energy: -0.168 local terms energy: -25.682461 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -3.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -41.851349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.851349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.851349 (E_RNA) where: Base-Base interactions energy: -16.744 where: short stacking energy: -16.744 Base-Backbone interact. energy: -0.000 local terms energy: -25.107011 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -2.158 tors. eta vs tors. theta energy: -3.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -46.488038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.488038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.488038 (E_RNA) where: Base-Base interactions energy: -18.497 where: short stacking energy: -18.497 Base-Backbone interact. energy: -0.000 local terms energy: -27.991155 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -2.704 flat angles P-C4'-P energy: -5.098 tors. eta vs tors. theta energy: -6.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -41.623131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.623131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.623131 (E_RNA) where: Base-Base interactions energy: -18.118 where: short stacking energy: -14.987 Base-Backbone interact. energy: -0.009 local terms energy: -23.496175 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -4.829 flat angles C4'-P-C4' energy: -2.936 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -4.556 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: 3 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -45.062380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.062380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.062380 (E_RNA) where: Base-Base interactions energy: -19.804 where: short stacking energy: -19.804 Base-Backbone interact. energy: -0.013 local terms energy: -25.245255 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -4.986 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: 1, replica: 4 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -100.200464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.200464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.200464 (E_RNA) where: Base-Base interactions energy: -72.890 where: short stacking energy: -27.613 Base-Backbone interact. energy: -0.262 local terms energy: -27.048609 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -2.571 tors. eta vs tors. theta energy: -4.200 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: 6 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -90.830048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.830048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.830048 (E_RNA) where: Base-Base interactions energy: -63.137 where: short stacking energy: -25.784 Base-Backbone interact. energy: -0.004 local terms energy: -27.689492 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -1.536 tors. eta vs tors. theta energy: -6.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -81.449561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.449561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.449561 (E_RNA) where: Base-Base interactions energy: -54.691 where: short stacking energy: -22.710 Base-Backbone interact. energy: -0.002 local terms energy: -26.756465 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -3.263 tors. eta vs tors. theta energy: -4.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -66.822021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.822021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.822021 (E_RNA) where: Base-Base interactions energy: -43.630 where: short stacking energy: -17.850 Base-Backbone interact. energy: -0.042 local terms energy: -23.150743 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.736 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -56.792335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.792335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.792335 (E_RNA) where: Base-Base interactions energy: -26.619 where: short stacking energy: -26.619 Base-Backbone interact. energy: -0.001 local terms energy: -30.172225 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -6.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -50.128863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.128863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.128863 (E_RNA) where: Base-Base interactions energy: -23.430 where: short stacking energy: -23.430 Base-Backbone interact. energy: -0.000 local terms energy: -26.699102 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -4.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -47.665683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.665683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.665683 (E_RNA) where: Base-Base interactions energy: -23.865 where: short stacking energy: -23.865 Base-Backbone interact. energy: -0.000 local terms energy: -23.800059 where: bonds (distance) C4'-P energy: -2.967 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -3.827 tors. eta vs tors. theta energy: -6.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -48.828729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.828729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.828729 (E_RNA) where: Base-Base interactions energy: -24.749 where: short stacking energy: -24.749 Base-Backbone interact. energy: -0.001 local terms energy: -24.078683 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -1.823 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: 9, replica: 3 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -40.669843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.669843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.669843 (E_RNA) where: Base-Base interactions energy: -14.949 where: short stacking energy: -14.442 Base-Backbone interact. energy: -0.004 local terms energy: -25.716951 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -1.449 tors. eta vs tors. theta energy: -4.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -42.504954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.504954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.504954 (E_RNA) where: Base-Base interactions energy: -18.527 where: short stacking energy: -18.527 Base-Backbone interact. energy: -0.000 local terms energy: -23.977247 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -3.807 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: 1, replica: 4 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -98.673827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.673827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.673827 (E_RNA) where: Base-Base interactions energy: -73.389 where: short stacking energy: -26.911 Base-Backbone interact. energy: -0.010 local terms energy: -25.274531 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -0.682 tors. eta vs tors. theta energy: -4.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -83.506298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.506298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.506298 (E_RNA) where: Base-Base interactions energy: -54.952 where: short stacking energy: -21.533 Base-Backbone interact. energy: -0.002 local terms energy: -28.551647 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -3.106 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: 3, replica: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -85.597594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.597594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.597594 (E_RNA) where: Base-Base interactions energy: -62.233 where: short stacking energy: -22.410 Base-Backbone interact. energy: -0.002 local terms energy: -23.362628 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -2.660 tors. eta vs tors. theta energy: -4.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -49.681767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.681767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.681767 (E_RNA) where: Base-Base interactions energy: -26.367 where: short stacking energy: -15.023 Base-Backbone interact. energy: -0.076 local terms energy: -23.237912 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: 0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -53.619014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.619014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.619014 (E_RNA) where: Base-Base interactions energy: -28.722 where: short stacking energy: -16.945 Base-Backbone interact. energy: -0.001 local terms energy: -24.895754 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -4.327 tors. eta vs tors. theta energy: -3.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -44.459361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.459361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.459361 (E_RNA) where: Base-Base interactions energy: -16.501 where: short stacking energy: -16.501 Base-Backbone interact. energy: -0.006 local terms energy: -27.952357 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -5.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -62.200824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.200824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.200824 (E_RNA) where: Base-Base interactions energy: -33.461 where: short stacking energy: -23.460 Base-Backbone interact. energy: -0.007 local terms energy: -28.733204 where: bonds (distance) C4'-P energy: -5.000 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -6.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -45.329808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.329808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.329808 (E_RNA) where: Base-Base interactions energy: -18.859 where: short stacking energy: -18.859 Base-Backbone interact. energy: -0.079 local terms energy: -26.391607 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.015 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -1.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -43.137311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.137311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.137311 (E_RNA) where: Base-Base interactions energy: -19.868 where: short stacking energy: -19.868 Base-Backbone interact. energy: -0.027 local terms energy: -23.242742 where: bonds (distance) C4'-P energy: -3.604 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -3.316 tors. eta vs tors. theta energy: -2.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -40.042948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.042948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.042948 (E_RNA) where: Base-Base interactions energy: -20.907 where: short stacking energy: -20.907 Base-Backbone interact. energy: -0.093 local terms energy: -19.043537 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: 0.474 tors. eta vs tors. theta energy: -2.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -92.748152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.748152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.748152 (E_RNA) where: Base-Base interactions energy: -70.047 where: short stacking energy: -24.796 Base-Backbone interact. energy: -0.007 local terms energy: -22.694961 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: 2.412 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -92.985051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.985051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.985051 (E_RNA) where: Base-Base interactions energy: -66.864 where: short stacking energy: -26.686 Base-Backbone interact. energy: -0.053 local terms energy: -26.068288 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -2.779 tors. eta vs tors. theta energy: -2.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -89.424999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.424999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.424999 (E_RNA) where: Base-Base interactions energy: -63.944 where: short stacking energy: -22.245 Base-Backbone interact. energy: -0.001 local terms energy: -25.480762 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -1.950 tors. eta vs tors. theta energy: -5.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -43.994900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.994900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.994900 (E_RNA) where: Base-Base interactions energy: -17.704 where: short stacking energy: -17.240 Base-Backbone interact. energy: -0.119 local terms energy: -26.172250 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -5.584 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: 5, replica: 10 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -55.814947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.814947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.814947 (E_RNA) where: Base-Base interactions energy: -22.029 where: short stacking energy: -22.029 Base-Backbone interact. energy: -0.000 local terms energy: -33.786122 where: bonds (distance) C4'-P energy: -7.040 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -7.960 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: 9 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -55.412362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.412362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.412362 (E_RNA) where: Base-Base interactions energy: -24.593 where: short stacking energy: -24.593 Base-Backbone interact. energy: -0.000 local terms energy: -30.819194 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -2.399 tors. eta vs tors. theta energy: -7.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -41.459092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.459092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.459092 (E_RNA) where: Base-Base interactions energy: -17.604 where: short stacking energy: -11.573 Base-Backbone interact. energy: -0.119 local terms energy: -23.736176 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -4.927 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -1.996 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: 7 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -43.491066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.491066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.491066 (E_RNA) where: Base-Base interactions energy: -19.597 where: short stacking energy: -19.597 Base-Backbone interact. energy: -0.008 local terms energy: -23.885682 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -1.960 flat angles P-C4'-P energy: -5.384 tors. eta vs tors. theta energy: -3.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -40.994020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.994020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.994020 (E_RNA) where: Base-Base interactions energy: -17.264 where: short stacking energy: -17.264 Base-Backbone interact. energy: -0.027 local terms energy: -23.702923 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -3.060 tors. eta vs tors. theta energy: -2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -42.966659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.966659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.966659 (E_RNA) where: Base-Base interactions energy: -12.904 where: short stacking energy: -12.904 Base-Backbone interact. energy: -0.000 local terms energy: -30.062531 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -5.392 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: 2 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -94.236572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.236572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.236572 (E_RNA) where: Base-Base interactions energy: -72.254 where: short stacking energy: -27.334 Base-Backbone interact. energy: -0.011 local terms energy: -21.971299 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: 0.163 tors. eta vs tors. theta energy: -5.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -94.092044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.092044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.092044 (E_RNA) where: Base-Base interactions energy: -71.479 where: short stacking energy: -28.616 Base-Backbone interact. energy: -0.053 local terms energy: -22.560375 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.592 flat angles P-C4'-P energy: -0.570 tors. eta vs tors. theta energy: -4.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -77.473001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.473001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.473001 (E_RNA) where: Base-Base interactions energy: -56.629 where: short stacking energy: -19.741 Base-Backbone interact. energy: 0.047 local terms energy: -20.891182 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -3.605 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -48.185373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.185373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.185373 (E_RNA) where: Base-Base interactions energy: -22.371 where: short stacking energy: -22.371 Base-Backbone interact. energy: -0.000 local terms energy: -25.814708 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -6.861 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -2.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -39.047589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.047589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.047589 (E_RNA) where: Base-Base interactions energy: -17.965 where: short stacking energy: -17.965 Base-Backbone interact. energy: -0.098 local terms energy: -20.983948 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -0.870 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -3.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -43.910308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.910308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.910308 (E_RNA) where: Base-Base interactions energy: -24.533 where: short stacking energy: -13.450 Base-Backbone interact. energy: -0.122 local terms energy: -19.255751 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: 3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -58.273663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.273663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.273663 (E_RNA) where: Base-Base interactions energy: -33.375 where: short stacking energy: -19.816 Base-Backbone interact. energy: -0.000 local terms energy: -24.899094 where: bonds (distance) C4'-P energy: -4.870 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: -3.564 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: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -47.696416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.696416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.696416 (E_RNA) where: Base-Base interactions energy: -20.410 where: short stacking energy: -18.802 Base-Backbone interact. energy: -0.068 local terms energy: -27.218153 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -43.586402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.586402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.586402 (E_RNA) where: Base-Base interactions energy: -19.001 where: short stacking energy: -19.001 Base-Backbone interact. energy: -0.041 local terms energy: -24.545190 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -2.799 flat angles C4'-P-C4' energy: -7.348 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -3.939 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: 1 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -43.087785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.087785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.087785 (E_RNA) where: Base-Base interactions energy: -19.131 where: short stacking energy: -19.131 Base-Backbone interact. energy: -0.000 local terms energy: -23.956803 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.547 flat angles P-C4'-P energy: -3.329 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: 4 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -100.475878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.475878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.475878 (E_RNA) where: Base-Base interactions energy: -77.202 where: short stacking energy: -29.145 Base-Backbone interact. energy: -0.166 local terms energy: -23.107298 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -5.948 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -3.040 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -88.658956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.658956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.658956 (E_RNA) where: Base-Base interactions energy: -71.225 where: short stacking energy: -26.572 Base-Backbone interact. energy: -0.005 local terms energy: -17.429083 where: bonds (distance) C4'-P energy: -5.765 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: 3.020 tors. eta vs tors. theta energy: -3.251 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: 6 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -81.559136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.559136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.559136 (E_RNA) where: Base-Base interactions energy: -56.179 where: short stacking energy: -23.524 Base-Backbone interact. energy: -0.094 local terms energy: -25.286320 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -1.099 tors. eta vs tors. theta energy: -4.782 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: 4, replica: 10 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -50.392549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.392549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.392549 (E_RNA) where: Base-Base interactions energy: -24.843 where: short stacking energy: -24.440 Base-Backbone interact. energy: -0.049 local terms energy: -25.500844 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -45.209754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.209754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.209754 (E_RNA) where: Base-Base interactions energy: -20.987 where: short stacking energy: -20.987 Base-Backbone interact. energy: -0.000 local terms energy: -24.222867 where: bonds (distance) C4'-P energy: -4.416 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -4.678 tors. eta vs tors. theta energy: -2.525 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: 5 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -46.026461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.026461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.026461 (E_RNA) where: Base-Base interactions energy: -24.504 where: short stacking energy: -24.504 Base-Backbone interact. energy: -0.012 local terms energy: -21.510870 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -3.901 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -2.318 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: 7, replica: 8 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -43.914387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.914387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.914387 (E_RNA) where: Base-Base interactions energy: -27.847 where: short stacking energy: -13.734 Base-Backbone interact. energy: -0.005 local terms energy: -16.062665 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -4.827 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -2.040 tors. eta vs tors. theta energy: 2.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -50.110453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.110453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.110453 (E_RNA) where: Base-Base interactions energy: -29.192 where: short stacking energy: -12.792 Base-Backbone interact. energy: -0.150 local terms energy: -20.767918 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -1.766 tors. eta vs tors. theta energy: -0.587 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: 7 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -40.468977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.468977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.468977 (E_RNA) where: Base-Base interactions energy: -14.870 where: short stacking energy: -14.870 Base-Backbone interact. energy: -0.003 local terms energy: -25.596693 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -2.590 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: 1 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -49.558328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.558328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.558328 (E_RNA) where: Base-Base interactions energy: -27.830 where: short stacking energy: -24.134 Base-Backbone interact. energy: -0.161 local terms energy: -21.567227 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -3.706 tors. eta vs tors. theta energy: -1.623 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: 1, replica: 4 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -98.667465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.667465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.667465 (E_RNA) where: Base-Base interactions energy: -74.664 where: short stacking energy: -29.598 Base-Backbone interact. energy: -0.039 local terms energy: -23.964435 where: bonds (distance) C4'-P energy: -4.597 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -2.314 tors. eta vs tors. theta energy: -3.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -89.957825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.957825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.957825 (E_RNA) where: Base-Base interactions energy: -62.099 where: short stacking energy: -23.256 Base-Backbone interact. energy: -0.003 local terms energy: -27.856627 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -85.988435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.988435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.988435 (E_RNA) where: Base-Base interactions energy: -53.495 where: short stacking energy: -23.759 Base-Backbone interact. energy: -0.002 local terms energy: -32.491146 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -5.395 tors. eta vs tors. theta energy: -5.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -51.603660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.603660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.603660 (E_RNA) where: Base-Base interactions energy: -26.975 where: short stacking energy: -26.975 Base-Backbone interact. energy: 1.291 local terms energy: -25.919855 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -1.194 tors. eta vs tors. theta energy: -3.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -51.115527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.115527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.115527 (E_RNA) where: Base-Base interactions energy: -25.184 where: short stacking energy: -25.184 Base-Backbone interact. energy: -0.000 local terms energy: -25.931762 where: bonds (distance) C4'-P energy: -5.148 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -2.491 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: -5.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -40.992924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.992924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.992924 (E_RNA) where: Base-Base interactions energy: -19.855 where: short stacking energy: -19.855 Base-Backbone interact. energy: -0.098 local terms energy: -21.039369 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -2.764 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -1.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -49.168511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.168511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.168511 (E_RNA) where: Base-Base interactions energy: -25.148 where: short stacking energy: -25.148 Base-Backbone interact. energy: -0.001 local terms energy: -24.018975 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -2.899 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -41.216174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.216174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.216174 (E_RNA) where: Base-Base interactions energy: -24.353 where: short stacking energy: -14.940 Base-Backbone interact. energy: -0.012 local terms energy: -16.850897 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: 2.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -36.521765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.521765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.521765 (E_RNA) where: Base-Base interactions energy: -13.239 where: short stacking energy: -13.239 Base-Backbone interact. energy: -0.000 local terms energy: -23.282705 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.733 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -46.123549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.123549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.123549 (E_RNA) where: Base-Base interactions energy: -22.353 where: short stacking energy: -22.353 Base-Backbone interact. energy: -0.026 local terms energy: -23.743956 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -2.864 tors. eta vs tors. theta energy: -4.042 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: 6 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -82.040951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.040951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.040951 (E_RNA) where: Base-Base interactions energy: -54.581 where: short stacking energy: -22.776 Base-Backbone interact. energy: -0.001 local terms energy: -27.459022 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -4.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -94.427349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.427349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.427349 (E_RNA) where: Base-Base interactions energy: -70.042 where: short stacking energy: -27.737 Base-Backbone interact. energy: -0.027 local terms energy: -24.357595 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -1.606 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: 2 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -81.081910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.081910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.081910 (E_RNA) where: Base-Base interactions energy: -52.359 where: short stacking energy: -21.995 Base-Backbone interact. energy: -0.000 local terms energy: -28.722950 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -4.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -61.658533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.658533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.658533 (E_RNA) where: Base-Base interactions energy: -30.624 where: short stacking energy: -30.624 Base-Backbone interact. energy: -0.000 local terms energy: -31.034745 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -5.455 flat angles C4'-P-C4' energy: -6.636 flat angles P-C4'-P energy: -4.860 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: 5, replica: 5 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -48.812134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.812134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.812134 (E_RNA) where: Base-Base interactions energy: -21.204 where: short stacking energy: -16.192 Base-Backbone interact. energy: -0.014 local terms energy: -27.593874 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -4.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -48.738779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.738779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.738779 (E_RNA) where: Base-Base interactions energy: -23.181 where: short stacking energy: -23.181 Base-Backbone interact. energy: -0.000 local terms energy: -25.558165 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -3.268 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -5.480 tors. eta vs tors. theta energy: -4.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -50.569538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.569538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.569538 (E_RNA) where: Base-Base interactions energy: -20.026 where: short stacking energy: -20.026 Base-Backbone interact. energy: -0.130 local terms energy: -30.413861 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: -4.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -43.512784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.512784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.512784 (E_RNA) where: Base-Base interactions energy: -22.255 where: short stacking energy: -14.938 Base-Backbone interact. energy: -0.222 local terms energy: -21.034892 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -3.135 flat angles P-C4'-P energy: -2.377 tors. eta vs tors. theta energy: -2.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -39.153519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.153519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.153519 (E_RNA) where: Base-Base interactions energy: -18.532 where: short stacking energy: -18.532 Base-Backbone interact. energy: -0.006 local terms energy: -20.615152 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -4.855 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -2.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -39.639834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.639834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.639834 (E_RNA) where: Base-Base interactions energy: -17.699 where: short stacking energy: -17.699 Base-Backbone interact. energy: -0.000 local terms energy: -21.940366 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -4.814 tors. eta vs tors. theta energy: -4.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -83.687402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.687402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.687402 (E_RNA) where: Base-Base interactions energy: -52.749 where: short stacking energy: -23.354 Base-Backbone interact. energy: 0.007 local terms energy: -30.944751 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: -5.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -98.205046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.205046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.205046 (E_RNA) where: Base-Base interactions energy: -75.164 where: short stacking energy: -28.901 Base-Backbone interact. energy: -0.007 local terms energy: -23.034643 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.644 flat angles P-C4'-P energy: 0.122 tors. eta vs tors. theta energy: -4.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -83.900039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.900039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.900039 (E_RNA) where: Base-Base interactions energy: -57.819 where: short stacking energy: -22.888 Base-Backbone interact. energy: -0.001 local terms energy: -26.079867 where: bonds (distance) C4'-P energy: -7.334 bonds (distance) P-C4' energy: -4.833 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -2.927 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: 5 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -60.986857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.986857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.986857 (E_RNA) where: Base-Base interactions energy: -33.493 where: short stacking energy: -33.493 Base-Backbone interact. energy: -0.000 local terms energy: -27.493387 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -1.256 tors. eta vs tors. theta energy: -6.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -57.181068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.181068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.181068 (E_RNA) where: Base-Base interactions energy: -28.163 where: short stacking energy: -23.501 Base-Backbone interact. energy: -0.000 local terms energy: -29.017943 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -2.022 tors. eta vs tors. theta energy: -6.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -66.815421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.815421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.815421 (E_RNA) where: Base-Base interactions energy: -39.701 where: short stacking energy: -25.385 Base-Backbone interact. energy: -0.001 local terms energy: -27.113470 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -5.031 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.882 tors. eta vs tors. theta energy: -5.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -48.403579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.403579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.403579 (E_RNA) where: Base-Base interactions energy: -20.672 where: short stacking energy: -20.672 Base-Backbone interact. energy: -0.005 local terms energy: -27.726911 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -6.027 tors. eta vs tors. theta energy: -5.551 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: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -40.656517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.656517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.656517 (E_RNA) where: Base-Base interactions energy: -16.794 where: short stacking energy: -12.130 Base-Backbone interact. energy: -0.000 local terms energy: -23.862879 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -0.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -39.497828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.497828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.497828 (E_RNA) where: Base-Base interactions energy: -12.800 where: short stacking energy: -12.800 Base-Backbone interact. energy: -0.079 local terms energy: -26.618167 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.152 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -3.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -38.207459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.207459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.207459 (E_RNA) where: Base-Base interactions energy: -16.546 where: short stacking energy: -16.546 Base-Backbone interact. energy: -0.273 local terms energy: -21.388879 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -1.686 tors. eta vs tors. theta energy: -2.871 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: 4 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -99.134065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.134065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.134065 (E_RNA) where: Base-Base interactions energy: -74.817 where: short stacking energy: -27.535 Base-Backbone interact. energy: -0.020 local terms energy: -24.297902 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -1.657 tors. eta vs tors. theta energy: -2.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -83.404729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.404729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.404729 (E_RNA) where: Base-Base interactions energy: -58.041 where: short stacking energy: -22.017 Base-Backbone interact. energy: 1.012 local terms energy: -26.376178 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -0.406 tors. eta vs tors. theta energy: -6.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -81.746428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.746428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.746428 (E_RNA) where: Base-Base interactions energy: -55.825 where: short stacking energy: -21.063 Base-Backbone interact. energy: -0.001 local terms energy: -25.920214 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -5.716 tors. eta vs tors. theta energy: -3.080 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: 4, replica: 5 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -54.993636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.993636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.993636 (E_RNA) where: Base-Base interactions energy: -29.058 where: short stacking energy: -14.284 Base-Backbone interact. energy: -0.451 local terms energy: -25.484831 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -0.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -53.201103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.201103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.201103 (E_RNA) where: Base-Base interactions energy: -26.694 where: short stacking energy: -26.694 Base-Backbone interact. energy: -0.000 local terms energy: -26.506743 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -2.540 tors. eta vs tors. theta energy: -6.076 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: 3 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -48.733465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.733465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.733465 (E_RNA) where: Base-Base interactions energy: -24.283 where: short stacking energy: -13.723 Base-Backbone interact. energy: -0.028 local terms energy: -24.422173 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: -1.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -41.042457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.042457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.042457 (E_RNA) where: Base-Base interactions energy: -17.689 where: short stacking energy: -17.689 Base-Backbone interact. energy: -0.000 local terms energy: -23.353799 where: bonds (distance) C4'-P energy: -3.044 bonds (distance) P-C4' energy: -5.188 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: -4.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -49.133477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.133477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.133477 (E_RNA) where: Base-Base interactions energy: -22.265 where: short stacking energy: -21.715 Base-Backbone interact. energy: -0.000 local terms energy: -26.868312 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -4.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -39.532804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.532804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.532804 (E_RNA) where: Base-Base interactions energy: -14.507 where: short stacking energy: -14.507 Base-Backbone interact. energy: -0.138 local terms energy: -24.886988 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.353 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -2.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -34.481686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.481686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.481686 (E_RNA) where: Base-Base interactions energy: -20.145 where: short stacking energy: -13.531 Base-Backbone interact. energy: 0.429 local terms energy: -14.765186 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -3.212 flat angles C4'-P-C4' energy: -1.741 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -1.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -99.704861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.704861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.704861 (E_RNA) where: Base-Base interactions energy: -75.888 where: short stacking energy: -29.982 Base-Backbone interact. energy: -0.026 local terms energy: -23.790920 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -0.766 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: 2, replica: 2 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -87.604811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.604811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.604811 (E_RNA) where: Base-Base interactions energy: -60.618 where: short stacking energy: -23.381 Base-Backbone interact. energy: -0.007 local terms energy: -26.979256 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -2.128 tors. eta vs tors. theta energy: -3.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -85.642599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.642599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.642599 (E_RNA) where: Base-Base interactions energy: -60.559 where: short stacking energy: -16.683 Base-Backbone interact. energy: -0.043 local terms energy: -25.040683 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -2.410 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -53.752754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.752754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.752754 (E_RNA) where: Base-Base interactions energy: -27.129 where: short stacking energy: -27.129 Base-Backbone interact. energy: -0.000 local terms energy: -26.624092 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -3.359 flat angles P-C4'-P energy: -3.646 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: 5, replica: 5 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -50.239183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.239183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.239183 (E_RNA) where: Base-Base interactions energy: -24.479 where: short stacking energy: -24.479 Base-Backbone interact. energy: -0.007 local terms energy: -25.753534 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -5.946 flat angles C4'-P-C4' energy: -3.750 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -4.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -44.674598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.674598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.674598 (E_RNA) where: Base-Base interactions energy: -20.871 where: short stacking energy: -20.871 Base-Backbone interact. energy: -0.076 local terms energy: -23.727537 where: bonds (distance) C4'-P energy: -4.730 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -2.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -46.583676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.583676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.583676 (E_RNA) where: Base-Base interactions energy: -22.947 where: short stacking energy: -22.947 Base-Backbone interact. energy: -0.000 local terms energy: -23.636491 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -3.394 flat angles P-C4'-P energy: -2.730 tors. eta vs tors. theta energy: -3.150 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: 143 Temperature: 1.250000 Total energy: -42.601594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.601594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.601594 (E_RNA) where: Base-Base interactions energy: -18.000 where: short stacking energy: -18.000 Base-Backbone interact. energy: -0.006 local terms energy: -24.595499 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -2.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -44.859897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.859897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.859897 (E_RNA) where: Base-Base interactions energy: -22.401 where: short stacking energy: -19.355 Base-Backbone interact. energy: -0.000 local terms energy: -22.459136 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -2.217 tors. eta vs tors. theta energy: -2.631 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: 9 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -46.754093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.754093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.754093 (E_RNA) where: Base-Base interactions energy: -33.140 where: short stacking energy: -14.400 Base-Backbone interact. energy: -0.013 local terms energy: -13.601449 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -2.429 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: 1.368 tors. eta vs tors. theta energy: -1.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -88.034947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.034947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.034947 (E_RNA) where: Base-Base interactions energy: -62.607 where: short stacking energy: -24.906 Base-Backbone interact. energy: -0.012 local terms energy: -25.416031 where: bonds (distance) C4'-P energy: -4.946 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -2.249 tors. eta vs tors. theta energy: -5.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -96.893987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.893987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.893987 (E_RNA) where: Base-Base interactions energy: -73.373 where: short stacking energy: -31.218 Base-Backbone interact. energy: -0.034 local terms energy: -23.487183 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -0.006 tors. eta vs tors. theta energy: -5.011 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: 3, replica: 6 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -79.890776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.890776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.890776 (E_RNA) where: Base-Base interactions energy: -50.775 where: short stacking energy: -19.120 Base-Backbone interact. energy: -0.013 local terms energy: -29.102683 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -5.033 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: 7 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -50.017651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.017651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.017651 (E_RNA) where: Base-Base interactions energy: -23.283 where: short stacking energy: -23.283 Base-Backbone interact. energy: -0.055 local terms energy: -26.679809 where: bonds (distance) C4'-P energy: -3.806 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -3.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -48.966678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.966678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.966678 (E_RNA) where: Base-Base interactions energy: -22.318 where: short stacking energy: -20.140 Base-Backbone interact. energy: -0.004 local terms energy: -26.645025 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -2.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -48.639793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.639793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.639793 (E_RNA) where: Base-Base interactions energy: -19.912 where: short stacking energy: -19.912 Base-Backbone interact. energy: -0.023 local terms energy: -28.704264 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -4.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -44.940818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.940818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.940818 (E_RNA) where: Base-Base interactions energy: -18.049 where: short stacking energy: -18.049 Base-Backbone interact. energy: 1.164 local terms energy: -28.056262 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -52.799085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.799085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.799085 (E_RNA) where: Base-Base interactions energy: -22.808 where: short stacking energy: -22.808 Base-Backbone interact. energy: -0.000 local terms energy: -29.991387 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -5.691 tors. eta vs tors. theta energy: -6.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -40.510818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.510818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.510818 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -16.912 Base-Backbone interact. energy: -0.067 local terms energy: -23.532049 where: bonds (distance) C4'-P energy: -5.066 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -0.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -39.416159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.416159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.416159 (E_RNA) where: Base-Base interactions energy: -13.682 where: short stacking energy: -13.682 Base-Backbone interact. energy: 0.041 local terms energy: -25.775291 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -4.738 tors. eta vs tors. theta energy: -0.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -88.329412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.329412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.329412 (E_RNA) where: Base-Base interactions energy: -59.517 where: short stacking energy: -23.646 Base-Backbone interact. energy: -0.001 local terms energy: -28.811667 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -96.676617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.676617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.676617 (E_RNA) where: Base-Base interactions energy: -72.190 where: short stacking energy: -27.345 Base-Backbone interact. energy: -0.002 local terms energy: -24.485589 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: 1.335 tors. eta vs tors. theta energy: -3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -82.864591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.864591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.864591 (E_RNA) where: Base-Base interactions energy: -61.068 where: short stacking energy: -21.023 Base-Backbone interact. energy: -0.001 local terms energy: -21.795290 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -0.855 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -60.668143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.668143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.668143 (E_RNA) where: Base-Base interactions energy: -32.393 where: short stacking energy: -27.258 Base-Backbone interact. energy: -0.000 local terms energy: -28.274614 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -6.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -54.458907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.458907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.458907 (E_RNA) where: Base-Base interactions energy: -31.220 where: short stacking energy: -12.590 Base-Backbone interact. energy: -0.186 local terms energy: -23.053003 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.474 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -2.728 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -51.749695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.749695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.749695 (E_RNA) where: Base-Base interactions energy: -24.528 where: short stacking energy: -24.528 Base-Backbone interact. energy: -0.000 local terms energy: -27.221868 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -5.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -55.351281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.351281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.351281 (E_RNA) where: Base-Base interactions energy: -25.094 where: short stacking energy: -25.094 Base-Backbone interact. energy: -0.049 local terms energy: -30.208273 where: bonds (distance) C4'-P energy: -5.255 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -4.118 tors. eta vs tors. theta energy: -6.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -51.166071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.166071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.166071 (E_RNA) where: Base-Base interactions energy: -24.093 where: short stacking energy: -14.542 Base-Backbone interact. energy: -0.221 local terms energy: -26.851352 where: bonds (distance) C4'-P energy: -4.767 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.266 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -53.558624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.558624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.558624 (E_RNA) where: Base-Base interactions energy: -33.994 where: short stacking energy: -23.358 Base-Backbone interact. energy: -0.023 local terms energy: -19.541153 where: bonds (distance) C4'-P energy: -2.457 bonds (distance) P-C4' energy: -4.805 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -2.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -36.075483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.075483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.075483 (E_RNA) where: Base-Base interactions energy: -12.560 where: short stacking energy: -12.560 Base-Backbone interact. energy: -0.000 local terms energy: -23.515342 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -1.576 tors. eta vs tors. theta energy: -2.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -99.867002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.867002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.867002 (E_RNA) where: Base-Base interactions energy: -73.926 where: short stacking energy: -28.012 Base-Backbone interact. energy: -0.058 local terms energy: -25.882958 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.722 flat angles P-C4'-P energy: -2.375 tors. eta vs tors. theta energy: -3.892 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: 146 Temperature: 0.950000 Total energy: -80.855349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.855349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.855349 (E_RNA) where: Base-Base interactions energy: -52.764 where: short stacking energy: -24.175 Base-Backbone interact. energy: -0.012 local terms energy: -28.079272 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -5.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -52.698603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.698603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.698603 (E_RNA) where: Base-Base interactions energy: -26.690 where: short stacking energy: -12.525 Base-Backbone interact. energy: -0.046 local terms energy: -25.962402 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -4.867 tors. eta vs tors. theta energy: -1.317 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: 4, replica: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -80.103090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.103090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.103090 (E_RNA) where: Base-Base interactions energy: -52.781 where: short stacking energy: -20.827 Base-Backbone interact. energy: -0.000 local terms energy: -27.322302 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -79.055931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.055931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.055931 (E_RNA) where: Base-Base interactions energy: -52.337 where: short stacking energy: -17.835 Base-Backbone interact. energy: -0.001 local terms energy: -26.717646 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -4.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -66.136578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.136578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.136578 (E_RNA) where: Base-Base interactions energy: -43.588 where: short stacking energy: -13.596 Base-Backbone interact. energy: -0.034 local terms energy: -22.515100 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -2.162 tors. eta vs tors. theta energy: -0.505 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: 9 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -52.571911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.571911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.571911 (E_RNA) where: Base-Base interactions energy: -22.904 where: short stacking energy: -22.904 Base-Backbone interact. energy: -0.026 local terms energy: -29.641221 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -5.453 tors. eta vs tors. theta energy: -4.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -36.730079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.730079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.730079 (E_RNA) where: Base-Base interactions energy: -14.950 where: short stacking energy: -9.948 Base-Backbone interact. energy: -0.068 local terms energy: -21.712007 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -3.380 flat angles P-C4'-P energy: -2.035 tors. eta vs tors. theta energy: -2.476 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: 10 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -38.598049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.598049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.598049 (E_RNA) where: Base-Base interactions energy: -23.834 where: short stacking energy: -12.919 Base-Backbone interact. energy: 4.792 local terms energy: -19.556468 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -0.438 tors. eta vs tors. theta energy: -0.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -39.681762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.681762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.681762 (E_RNA) where: Base-Base interactions energy: -15.295 where: short stacking energy: -15.277 Base-Backbone interact. energy: -0.001 local terms energy: -24.385926 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.332 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -1.708 tors. eta vs tors. theta energy: -3.980 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: 1, replica: 4 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -96.460192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.460192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.460192 (E_RNA) where: Base-Base interactions energy: -70.983 where: short stacking energy: -28.164 Base-Backbone interact. energy: -0.026 local terms energy: -25.451181 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -1.587 tors. eta vs tors. theta energy: -4.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -84.880259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.880259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.880259 (E_RNA) where: Base-Base interactions energy: -62.366 where: short stacking energy: -21.769 Base-Backbone interact. energy: -0.002 local terms energy: -22.512405 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -6.008 flat angles C4'-P-C4' energy: -3.973 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -3.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -44.135203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.135203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.135203 (E_RNA) where: Base-Base interactions energy: -21.604 where: short stacking energy: -21.604 Base-Backbone interact. energy: -0.001 local terms energy: -22.529723 where: bonds (distance) C4'-P energy: -4.961 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -4.118 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -78.180326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.180326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.180326 (E_RNA) where: Base-Base interactions energy: -50.778 where: short stacking energy: -21.838 Base-Backbone interact. energy: -0.023 local terms energy: -27.378972 where: bonds (distance) C4'-P energy: -7.441 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.389 flat angles P-C4'-P energy: -1.306 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -82.340581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.340581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.340581 (E_RNA) where: Base-Base interactions energy: -56.889 where: short stacking energy: -24.018 Base-Backbone interact. energy: -0.000 local terms energy: -25.451696 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -2.355 tors. eta vs tors. theta energy: -3.451 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: 6, replica: 9 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -42.918881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.918881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.918881 (E_RNA) where: Base-Base interactions energy: -19.966 where: short stacking energy: -19.966 Base-Backbone interact. energy: -0.045 local terms energy: -22.908296 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -3.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -39.657064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.657064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.657064 (E_RNA) where: Base-Base interactions energy: -13.543 where: short stacking energy: -13.872 Base-Backbone interact. energy: -0.039 local terms energy: -26.074683 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -41.155965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.155965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.155965 (E_RNA) where: Base-Base interactions energy: -19.062 where: short stacking energy: -19.062 Base-Backbone interact. energy: -0.099 local terms energy: -21.995043 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -2.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -42.119706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.119706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.119706 (E_RNA) where: Base-Base interactions energy: -14.585 where: short stacking energy: -14.585 Base-Backbone interact. energy: 0.908 local terms energy: -28.442276 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -33.463829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.463829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.463829 (E_RNA) where: Base-Base interactions energy: -12.093 where: short stacking energy: -9.007 Base-Backbone interact. energy: -0.106 local terms energy: -21.264357 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -2.704 flat angles C4'-P-C4' energy: -7.339 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: 0.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -90.128374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.128374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.128374 (E_RNA) where: Base-Base interactions energy: -69.212 where: short stacking energy: -27.082 Base-Backbone interact. energy: 0.113 local terms energy: -21.029539 where: bonds (distance) C4'-P energy: -4.785 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: 0.401 tors. eta vs tors. theta energy: -5.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -96.408407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.408407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.408407 (E_RNA) where: Base-Base interactions energy: -71.293 where: short stacking energy: -28.832 Base-Backbone interact. energy: -0.021 local terms energy: -25.095010 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -1.597 tors. eta vs tors. theta energy: -4.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -92.226016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.226016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.226016 (E_RNA) where: Base-Base interactions energy: -70.321 where: short stacking energy: -27.105 Base-Backbone interact. energy: -0.004 local terms energy: -21.901101 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: 1.427 tors. eta vs tors. theta energy: -5.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -60.127351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.127351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.127351 (E_RNA) where: Base-Base interactions energy: -30.883 where: short stacking energy: -30.883 Base-Backbone interact. energy: -0.000 local terms energy: -29.244155 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -3.628 tors. eta vs tors. theta energy: -6.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -80.951536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.951536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.951536 (E_RNA) where: Base-Base interactions energy: -58.327 where: short stacking energy: -17.740 Base-Backbone interact. energy: -0.002 local terms energy: -22.623201 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -1.306 tors. eta vs tors. theta energy: -5.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -46.504038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.504038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.504038 (E_RNA) where: Base-Base interactions energy: -18.227 where: short stacking energy: -18.227 Base-Backbone interact. energy: -0.000 local terms energy: -28.277167 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -5.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -46.061149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.061149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.061149 (E_RNA) where: Base-Base interactions energy: -19.350 where: short stacking energy: -19.350 Base-Backbone interact. energy: -0.010 local terms energy: -26.701528 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.444 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -5.443 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: 8 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -41.557542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.557542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.557542 (E_RNA) where: Base-Base interactions energy: -15.350 where: short stacking energy: -13.860 Base-Backbone interact. energy: -0.018 local terms energy: -26.190298 where: bonds (distance) C4'-P energy: -4.730 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -3.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -42.667326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.667326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.667326 (E_RNA) where: Base-Base interactions energy: -29.889 where: short stacking energy: -21.101 Base-Backbone interact. energy: -0.065 local terms energy: -12.713074 where: bonds (distance) C4'-P energy: -0.110 bonds (distance) P-C4' energy: -2.898 flat angles C4'-P-C4' energy: -3.809 flat angles P-C4'-P energy: -1.844 tors. eta vs tors. theta energy: -4.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -36.550581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.550581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.550581 (E_RNA) where: Base-Base interactions energy: -16.323 where: short stacking energy: -16.323 Base-Backbone interact. energy: -0.002 local terms energy: -20.225662 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -4.986 flat angles C4'-P-C4' energy: -3.682 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -92.395120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.395120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.395120 (E_RNA) where: Base-Base interactions energy: -70.501 where: short stacking energy: -28.843 Base-Backbone interact. energy: -0.007 local terms energy: -21.886664 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: 4.254 tors. eta vs tors. theta energy: -5.712 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: 4 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -99.839938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.839938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.839938 (E_RNA) where: Base-Base interactions energy: -75.306 where: short stacking energy: -28.908 Base-Backbone interact. energy: -0.069 local terms energy: -24.465244 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: 0.304 tors. eta vs tors. theta energy: -6.440 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: 7 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -82.609169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.609169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.609169 (E_RNA) where: Base-Base interactions energy: -58.158 where: short stacking energy: -21.028 Base-Backbone interact. energy: -0.216 local terms energy: -24.234728 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: -0.401 tors. eta vs tors. theta energy: -3.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -85.774807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.774807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.774807 (E_RNA) where: Base-Base interactions energy: -60.662 where: short stacking energy: -23.458 Base-Backbone interact. energy: -0.000 local terms energy: -25.112037 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -1.292 tors. eta vs tors. theta energy: -3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -50.438225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.438225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.438225 (E_RNA) where: Base-Base interactions energy: -23.016 where: short stacking energy: -20.052 Base-Backbone interact. energy: -0.000 local terms energy: -27.421708 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: -6.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -56.537532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.537532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.537532 (E_RNA) where: Base-Base interactions energy: -31.422 where: short stacking energy: -31.422 Base-Backbone interact. energy: -0.056 local terms energy: -25.059610 where: bonds (distance) C4'-P energy: -3.293 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -5.066 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: 9 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -47.720106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.720106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.720106 (E_RNA) where: Base-Base interactions energy: -21.205 where: short stacking energy: -21.205 Base-Backbone interact. energy: -0.011 local terms energy: -26.504354 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -0.908 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: 8, replica: 3 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -47.402884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.402884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.402884 (E_RNA) where: Base-Base interactions energy: -20.901 where: short stacking energy: -16.316 Base-Backbone interact. energy: -0.012 local terms energy: -26.489996 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -3.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -43.090719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.090719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.090719 (E_RNA) where: Base-Base interactions energy: -20.805 where: short stacking energy: -15.922 Base-Backbone interact. energy: -0.013 local terms energy: -22.273033 where: bonds (distance) C4'-P energy: -4.183 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: -3.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -35.972812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.972812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.972812 (E_RNA) where: Base-Base interactions energy: -13.443 where: short stacking energy: -13.443 Base-Backbone interact. energy: -0.010 local terms energy: -22.519685 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -3.304 tors. eta vs tors. theta energy: -1.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -88.313647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.313647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.313647 (E_RNA) where: Base-Base interactions energy: -60.784 where: short stacking energy: -24.432 Base-Backbone interact. energy: -0.002 local terms energy: -27.528083 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -1.764 tors. eta vs tors. theta energy: -6.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -99.854283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.854283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.854283 (E_RNA) where: Base-Base interactions energy: -76.179 where: short stacking energy: -29.515 Base-Backbone interact. energy: -0.064 local terms energy: -23.611385 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -2.730 tors. eta vs tors. theta energy: -2.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -84.465244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.465244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.465244 (E_RNA) where: Base-Base interactions energy: -60.185 where: short stacking energy: -24.428 Base-Backbone interact. energy: -0.000 local terms energy: -24.279798 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.798 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -2.153 tors. eta vs tors. theta energy: -4.775 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: 7 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -81.958270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.958270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.958270 (E_RNA) where: Base-Base interactions energy: -55.914 where: short stacking energy: -17.078 Base-Backbone interact. energy: -0.423 local terms energy: -25.621702 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -3.088 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -5.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -54.267855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.267855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.267855 (E_RNA) where: Base-Base interactions energy: -31.221 where: short stacking energy: -21.249 Base-Backbone interact. energy: -0.001 local terms energy: -23.046480 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: 0.275 tors. eta vs tors. theta energy: -4.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -45.073651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.073651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.073651 (E_RNA) where: Base-Base interactions energy: -18.453 where: short stacking energy: -18.453 Base-Backbone interact. energy: -0.057 local terms energy: -26.564066 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -43.399528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.399528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.399528 (E_RNA) where: Base-Base interactions energy: -17.262 where: short stacking energy: -17.262 Base-Backbone interact. energy: -0.044 local terms energy: -26.093482 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -4.039 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -4.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -44.371151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.371151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.371151 (E_RNA) where: Base-Base interactions energy: -16.928 where: short stacking energy: -16.928 Base-Backbone interact. energy: -0.000 local terms energy: -27.442902 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -5.167 flat angles C4'-P-C4' energy: -4.374 flat angles P-C4'-P energy: -5.688 tors. eta vs tors. theta energy: -5.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -47.027783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.027783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.027783 (E_RNA) where: Base-Base interactions energy: -26.589 where: short stacking energy: -9.784 Base-Backbone interact. energy: -0.263 local terms energy: -20.176387 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: -0.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -42.481047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.481047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.481047 (E_RNA) where: Base-Base interactions energy: -22.981 where: short stacking energy: -15.837 Base-Backbone interact. energy: -0.113 local terms energy: -19.386504 where: bonds (distance) C4'-P energy: -4.116 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -3.985 flat angles P-C4'-P energy: -2.298 tors. eta vs tors. theta energy: -3.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -92.896325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.896325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.896325 (E_RNA) where: Base-Base interactions energy: -66.573 where: short stacking energy: -25.546 Base-Backbone interact. energy: 1.267 local terms energy: -27.590378 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -1.064 tors. eta vs tors. theta energy: -6.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -96.536060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.536060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.536060 (E_RNA) where: Base-Base interactions energy: -73.118 where: short stacking energy: -27.602 Base-Backbone interact. energy: -0.022 local terms energy: -23.395209 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -1.107 tors. eta vs tors. theta energy: -2.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -89.721655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.721655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.721655 (E_RNA) where: Base-Base interactions energy: -63.440 where: short stacking energy: -21.742 Base-Backbone interact. energy: -0.017 local terms energy: -26.265011 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -2.049 tors. eta vs tors. theta energy: -4.452 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: 4, replica: 7 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -82.792683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.792683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.792683 (E_RNA) where: Base-Base interactions energy: -57.199 where: short stacking energy: -24.834 Base-Backbone interact. energy: -0.000 local terms energy: -25.593601 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -5.454 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -2.259 tors. eta vs tors. theta energy: -6.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -48.513056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.513056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.513056 (E_RNA) where: Base-Base interactions energy: -24.160 where: short stacking energy: -5.978 Base-Backbone interact. energy: -0.066 local terms energy: -24.287469 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -1.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -50.394597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.394597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.394597 (E_RNA) where: Base-Base interactions energy: -21.946 where: short stacking energy: -21.946 Base-Backbone interact. energy: -0.000 local terms energy: -28.448384 where: bonds (distance) C4'-P energy: -5.239 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -2.597 tors. eta vs tors. theta energy: -6.882 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: 151 Temperature: 1.200000 Total energy: -66.807101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.807101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.807101 (E_RNA) where: Base-Base interactions energy: -42.725 where: short stacking energy: -21.999 Base-Backbone interact. energy: -0.000 local terms energy: -24.081857 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -1.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -71.802983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.802983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.802983 (E_RNA) where: Base-Base interactions energy: -46.783 where: short stacking energy: -17.691 Base-Backbone interact. energy: -0.001 local terms energy: -25.019132 where: bonds (distance) C4'-P energy: -4.519 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -2.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -40.240948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.240948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.240948 (E_RNA) where: Base-Base interactions energy: -15.417 where: short stacking energy: -14.105 Base-Backbone interact. energy: -0.023 local terms energy: -24.800939 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -2.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -51.151283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.151283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.151283 (E_RNA) where: Base-Base interactions energy: -28.330 where: short stacking energy: -19.541 Base-Backbone interact. energy: -0.061 local terms energy: -22.760386 where: bonds (distance) C4'-P energy: -5.404 bonds (distance) P-C4' energy: -6.178 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -2.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -97.109688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.109688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.109688 (E_RNA) where: Base-Base interactions energy: -72.181 where: short stacking energy: -27.942 Base-Backbone interact. energy: -0.099 local terms energy: -24.830381 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -2.244 tors. eta vs tors. theta energy: -5.678 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: 2 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -82.704871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.704871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.704871 (E_RNA) where: Base-Base interactions energy: -54.614 where: short stacking energy: -24.973 Base-Backbone interact. energy: -0.000 local terms energy: -28.090523 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -4.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -92.222209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.222209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.222209 (E_RNA) where: Base-Base interactions energy: -68.268 where: short stacking energy: -23.478 Base-Backbone interact. energy: -0.049 local terms energy: -23.905103 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -1.343 tors. eta vs tors. theta energy: -3.689 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: 7 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -81.921194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.921194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.921194 (E_RNA) where: Base-Base interactions energy: -55.902 where: short stacking energy: -23.254 Base-Backbone interact. energy: -0.002 local terms energy: -26.017498 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -4.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -80.429364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.429364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.429364 (E_RNA) where: Base-Base interactions energy: -53.890 where: short stacking energy: -24.879 Base-Backbone interact. energy: -0.434 local terms energy: -26.104859 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -6.114 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: 10 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -47.011791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.011791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.011791 (E_RNA) where: Base-Base interactions energy: -18.127 where: short stacking energy: -18.127 Base-Backbone interact. energy: -0.007 local terms energy: -28.878089 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -4.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -74.733513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.733513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.733513 (E_RNA) where: Base-Base interactions energy: -48.865 where: short stacking energy: -20.464 Base-Backbone interact. energy: -0.000 local terms energy: -25.868007 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -3.473 tors. eta vs tors. theta energy: -3.493 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: 5 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -73.151017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.151017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.151017 (E_RNA) where: Base-Base interactions energy: -48.159 where: short stacking energy: -17.043 Base-Backbone interact. energy: -0.001 local terms energy: -24.991375 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -2.759 flat angles P-C4'-P energy: -3.346 tors. eta vs tors. theta energy: -4.601 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: 8 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -47.476477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.476477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.476477 (E_RNA) where: Base-Base interactions energy: -23.886 where: short stacking energy: -20.582 Base-Backbone interact. energy: -0.015 local terms energy: -23.575333 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -4.403 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -3.270 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: 10, replica: 9 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -35.815050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.815050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.815050 (E_RNA) where: Base-Base interactions energy: -11.315 where: short stacking energy: -11.315 Base-Backbone interact. energy: -0.065 local terms energy: -24.434446 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -0.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -97.370790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.370790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.370790 (E_RNA) where: Base-Base interactions energy: -73.254 where: short stacking energy: -28.297 Base-Backbone interact. energy: -0.058 local terms energy: -24.059568 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -0.764 tors. eta vs tors. theta energy: -2.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -83.192453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.192453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.192453 (E_RNA) where: Base-Base interactions energy: -54.923 where: short stacking energy: -25.354 Base-Backbone interact. energy: -0.001 local terms energy: -28.268698 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -6.222 tors. eta vs tors. theta energy: -4.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -90.422480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.422480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.422480 (E_RNA) where: Base-Base interactions energy: -64.174 where: short stacking energy: -23.572 Base-Backbone interact. energy: -1.312 local terms energy: -24.936698 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -1.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -80.094822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.094822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.094822 (E_RNA) where: Base-Base interactions energy: -52.717 where: short stacking energy: -22.230 Base-Backbone interact. energy: -0.000 local terms energy: -27.377438 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.223 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -4.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -76.187348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.187348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.187348 (E_RNA) where: Base-Base interactions energy: -53.925 where: short stacking energy: -25.848 Base-Backbone interact. energy: -0.001 local terms energy: -22.261085 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -5.621 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: 0.029 tors. eta vs tors. theta energy: -5.763 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: 1 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -82.473714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.473714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.473714 (E_RNA) where: Base-Base interactions energy: -57.776 where: short stacking energy: -24.348 Base-Backbone interact. energy: -0.002 local terms energy: -24.695846 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -2.440 tors. eta vs tors. theta energy: -2.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -43.051828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.051828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.051828 (E_RNA) where: Base-Base interactions energy: -15.702 where: short stacking energy: -15.702 Base-Backbone interact. energy: -0.003 local terms energy: -27.347496 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -3.313 tors. eta vs tors. theta energy: -4.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -47.009746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.009746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.009746 (E_RNA) where: Base-Base interactions energy: -18.653 where: short stacking energy: -17.686 Base-Backbone interact. energy: -0.000 local terms energy: -28.356735 where: bonds (distance) C4'-P energy: -5.674 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.459 flat angles P-C4'-P energy: -2.344 tors. eta vs tors. theta energy: -7.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -43.326757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.326757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.326757 (E_RNA) where: Base-Base interactions energy: -17.827 where: short stacking energy: -17.827 Base-Backbone interact. energy: -0.031 local terms energy: -25.468492 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -2.868 tors. eta vs tors. theta energy: -4.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -35.942556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.942556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.942556 (E_RNA) where: Base-Base interactions energy: -15.826 where: short stacking energy: -15.826 Base-Backbone interact. energy: -0.033 local terms energy: -20.083303 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -4.655 flat angles P-C4'-P energy: -1.150 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -84.971286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.971286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.971286 (E_RNA) where: Base-Base interactions energy: -58.511 where: short stacking energy: -22.116 Base-Backbone interact. energy: -0.002 local terms energy: -26.458347 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -6.536 flat angles P-C4'-P energy: -2.472 tors. eta vs tors. theta energy: -4.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -95.620925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.620925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.620925 (E_RNA) where: Base-Base interactions energy: -69.428 where: short stacking energy: -27.177 Base-Backbone interact. energy: -0.006 local terms energy: -26.187591 where: bonds (distance) C4'-P energy: -7.139 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -2.490 tors. eta vs tors. theta energy: -1.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -83.328030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.328030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.328030 (E_RNA) where: Base-Base interactions energy: -53.848 where: short stacking energy: -25.691 Base-Backbone interact. energy: -0.002 local terms energy: -29.478042 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -79.484978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.484978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.484978 (E_RNA) where: Base-Base interactions energy: -52.954 where: short stacking energy: -23.325 Base-Backbone interact. energy: -0.000 local terms energy: -26.531209 where: bonds (distance) C4'-P energy: -7.425 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -3.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -75.154590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.154590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.154590 (E_RNA) where: Base-Base interactions energy: -50.559 where: short stacking energy: -19.462 Base-Backbone interact. energy: -0.093 local terms energy: -24.502631 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -3.997 flat angles P-C4'-P energy: -3.054 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: 6, replica: 1 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -43.871609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.871609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.871609 (E_RNA) where: Base-Base interactions energy: -19.045 where: short stacking energy: -19.045 Base-Backbone interact. energy: -0.047 local terms energy: -24.779023 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.636 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -2.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -45.402277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.402277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.402277 (E_RNA) where: Base-Base interactions energy: -24.387 where: short stacking energy: -24.387 Base-Backbone interact. energy: -0.002 local terms energy: -21.013537 where: bonds (distance) C4'-P energy: -3.438 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -3.906 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -2.705 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: 8, replica: 10 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -52.519760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.519760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.519760 (E_RNA) where: Base-Base interactions energy: -30.237 where: short stacking energy: -14.593 Base-Backbone interact. energy: -0.002 local terms energy: -22.280654 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -5.578 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: -1.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -39.974162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.974162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.974162 (E_RNA) where: Base-Base interactions energy: -20.502 where: short stacking energy: -9.241 Base-Backbone interact. energy: -0.560 local terms energy: -18.912838 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: 0.078 tors. eta vs tors. theta energy: -0.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -38.975481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.975481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.975481 (E_RNA) where: Base-Base interactions energy: -15.256 where: short stacking energy: -15.256 Base-Backbone interact. energy: -0.004 local terms energy: -23.715471 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -2.371 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: 2 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -85.935020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.935020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.935020 (E_RNA) where: Base-Base interactions energy: -64.430 where: short stacking energy: -25.050 Base-Backbone interact. energy: -0.031 local terms energy: -21.473961 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -3.493 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: 2, replica: 7 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -80.961214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.961214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.961214 (E_RNA) where: Base-Base interactions energy: -59.014 where: short stacking energy: -23.781 Base-Backbone interact. energy: -0.000 local terms energy: -21.946991 where: bonds (distance) C4'-P energy: -4.370 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -1.341 tors. eta vs tors. theta energy: -2.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -96.036441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.036441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.036441 (E_RNA) where: Base-Base interactions energy: -73.916 where: short stacking energy: -29.525 Base-Backbone interact. energy: -0.009 local terms energy: -22.110548 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -0.112 tors. eta vs tors. theta energy: -4.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -77.350699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.350699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.350699 (E_RNA) where: Base-Base interactions energy: -52.470 where: short stacking energy: -23.971 Base-Backbone interact. energy: 0.002 local terms energy: -24.882709 where: bonds (distance) C4'-P energy: -4.899 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -2.140 tors. eta vs tors. theta energy: -4.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -74.951457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.951457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.951457 (E_RNA) where: Base-Base interactions energy: -48.651 where: short stacking energy: -17.633 Base-Backbone interact. energy: -0.003 local terms energy: -26.297136 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -2.621 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: 8 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -47.802242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.802242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.802242 (E_RNA) where: Base-Base interactions energy: -21.904 where: short stacking energy: -21.904 Base-Backbone interact. energy: -0.004 local terms energy: -25.895091 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -3.150 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: 7, replica: 1 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -77.118799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.118799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.118799 (E_RNA) where: Base-Base interactions energy: -52.450 where: short stacking energy: -21.996 Base-Backbone interact. energy: -0.026 local terms energy: -24.642512 where: bonds (distance) C4'-P energy: -5.909 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -2.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -44.484567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.484567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.484567 (E_RNA) where: Base-Base interactions energy: -15.515 where: short stacking energy: -15.515 Base-Backbone interact. energy: -0.000 local terms energy: -28.969429 where: bonds (distance) C4'-P energy: -6.588 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -3.937 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: 10 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -45.228559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.228559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.228559 (E_RNA) where: Base-Base interactions energy: -21.764 where: short stacking energy: -21.764 Base-Backbone interact. energy: -0.000 local terms energy: -23.463924 where: bonds (distance) C4'-P energy: -5.587 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -0.898 tors. eta vs tors. theta energy: -4.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -51.751124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.751124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.751124 (E_RNA) where: Base-Base interactions energy: -25.151 where: short stacking energy: -24.611 Base-Backbone interact. energy: -0.000 local terms energy: -26.599764 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.181 flat angles P-C4'-P energy: -2.371 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -86.639282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.639282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.639282 (E_RNA) where: Base-Base interactions energy: -60.231 where: short stacking energy: -22.455 Base-Backbone interact. energy: -0.004 local terms energy: -26.404603 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -1.604 tors. eta vs tors. theta energy: -5.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -84.725072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.725072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.725072 (E_RNA) where: Base-Base interactions energy: -55.143 where: short stacking energy: -21.127 Base-Backbone interact. energy: -0.003 local terms energy: -29.579042 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -5.771 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -83.509219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.509219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.509219 (E_RNA) where: Base-Base interactions energy: -62.316 where: short stacking energy: -26.815 Base-Backbone interact. energy: -0.000 local terms energy: -21.192516 where: bonds (distance) C4'-P energy: -3.210 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -3.774 flat angles P-C4'-P energy: -4.654 tors. eta vs tors. theta energy: -2.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -97.618497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.618497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.618497 (E_RNA) where: Base-Base interactions energy: -73.570 where: short stacking energy: -27.898 Base-Backbone interact. energy: -0.013 local terms energy: -24.035721 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -76.569678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.569678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.569678 (E_RNA) where: Base-Base interactions energy: -54.292 where: short stacking energy: -19.619 Base-Backbone interact. energy: -0.001 local terms energy: -22.276909 where: bonds (distance) C4'-P energy: -5.007 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -2.539 tors. eta vs tors. theta energy: -1.666 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: 6, replica: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -80.360338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.360338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.360338 (E_RNA) where: Base-Base interactions energy: -59.086 where: short stacking energy: -16.566 Base-Backbone interact. energy: 0.166 local terms energy: -21.440592 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -4.250 flat angles P-C4'-P energy: -2.421 tors. eta vs tors. theta energy: -3.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -59.057917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.057917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.057917 (E_RNA) where: Base-Base interactions energy: -38.319 where: short stacking energy: -14.611 Base-Backbone interact. energy: -0.065 local terms energy: -20.674055 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: 0.210 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: 8, replica: 9 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -38.435342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.435342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.435342 (E_RNA) where: Base-Base interactions energy: -19.715 where: short stacking energy: -19.715 Base-Backbone interact. energy: -0.080 local terms energy: -18.640472 where: bonds (distance) C4'-P energy: -4.146 bonds (distance) P-C4' energy: -6.091 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -1.708 tors. eta vs tors. theta energy: -1.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -41.430833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.430833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.430833 (E_RNA) where: Base-Base interactions energy: -20.105 where: short stacking energy: -19.679 Base-Backbone interact. energy: -0.058 local terms energy: -21.267516 where: bonds (distance) C4'-P energy: -4.800 bonds (distance) P-C4' energy: -3.814 flat angles C4'-P-C4' energy: -3.389 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -4.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -43.455125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.455125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.455125 (E_RNA) where: Base-Base interactions energy: -15.643 where: short stacking energy: -15.643 Base-Backbone interact. energy: -0.000 local terms energy: -27.811796 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -3.414 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -92.777160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.777160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.777160 (E_RNA) where: Base-Base interactions energy: -67.765 where: short stacking energy: -23.337 Base-Backbone interact. energy: -0.020 local terms energy: -24.992076 where: bonds (distance) C4'-P energy: -7.185 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: 1.058 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: 2, replica: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -80.192525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.192525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.192525 (E_RNA) where: Base-Base interactions energy: -57.343 where: short stacking energy: -18.304 Base-Backbone interact. energy: 0.595 local terms energy: -23.444590 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -82.434041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.434041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.434041 (E_RNA) where: Base-Base interactions energy: -57.842 where: short stacking energy: -23.676 Base-Backbone interact. energy: -0.001 local terms energy: -24.590755 where: bonds (distance) C4'-P energy: -5.302 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -2.097 tors. eta vs tors. theta energy: -5.417 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: 8 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -81.411226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.411226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.411226 (E_RNA) where: Base-Base interactions energy: -60.922 where: short stacking energy: -18.565 Base-Backbone interact. energy: -0.047 local terms energy: -20.442291 where: bonds (distance) C4'-P energy: -5.512 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -1.103 tors. eta vs tors. theta energy: -3.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -93.765359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.765359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.765359 (E_RNA) where: Base-Base interactions energy: -72.810 where: short stacking energy: -27.416 Base-Backbone interact. energy: -0.002 local terms energy: -20.954029 where: bonds (distance) C4'-P energy: -4.093 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -0.536 tors. eta vs tors. theta energy: -3.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -49.578367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.578367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.578367 (E_RNA) where: Base-Base interactions energy: -22.268 where: short stacking energy: -22.192 Base-Backbone interact. energy: -0.034 local terms energy: -27.275837 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -3.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -68.215003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.215003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.215003 (E_RNA) where: Base-Base interactions energy: -41.254 where: short stacking energy: -15.751 Base-Backbone interact. energy: -0.002 local terms energy: -26.959623 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -48.761565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.761565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.761565 (E_RNA) where: Base-Base interactions energy: -18.051 where: short stacking energy: -18.051 Base-Backbone interact. energy: -0.000 local terms energy: -30.710380 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -7.889 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: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -47.626238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.626238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.626238 (E_RNA) where: Base-Base interactions energy: -21.947 where: short stacking energy: -21.947 Base-Backbone interact. energy: -0.000 local terms energy: -25.679180 where: bonds (distance) C4'-P energy: -3.718 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -4.440 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: 5 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -40.285601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.285601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.285601 (E_RNA) where: Base-Base interactions energy: -15.502 where: short stacking energy: -15.502 Base-Backbone interact. energy: -0.012 local terms energy: -24.771471 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -2.040 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: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -81.095581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.095581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.095581 (E_RNA) where: Base-Base interactions energy: -54.984 where: short stacking energy: -22.402 Base-Backbone interact. energy: -0.041 local terms energy: -26.070765 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -4.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -80.309073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.309073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.309073 (E_RNA) where: Base-Base interactions energy: -54.055 where: short stacking energy: -22.742 Base-Backbone interact. energy: -0.005 local terms energy: -26.249597 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -2.982 tors. eta vs tors. theta energy: -4.782 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: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -82.577074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.577074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.577074 (E_RNA) where: Base-Base interactions energy: -59.988 where: short stacking energy: -18.615 Base-Backbone interact. energy: -0.444 local terms energy: -22.145122 where: bonds (distance) C4'-P energy: -5.359 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -1.728 flat angles P-C4'-P energy: -2.913 tors. eta vs tors. theta energy: -5.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -84.646915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.646915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.646915 (E_RNA) where: Base-Base interactions energy: -60.859 where: short stacking energy: -22.871 Base-Backbone interact. energy: -0.033 local terms energy: -23.754717 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -2.798 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -4.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -91.806389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.806389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.806389 (E_RNA) where: Base-Base interactions energy: -69.599 where: short stacking energy: -27.040 Base-Backbone interact. energy: -0.011 local terms energy: -22.196353 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: 0.238 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -46.521186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.521186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.521186 (E_RNA) where: Base-Base interactions energy: -24.433 where: short stacking energy: -10.043 Base-Backbone interact. energy: -0.031 local terms energy: -22.057871 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -4.234 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: 0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -48.001421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.001421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.001421 (E_RNA) where: Base-Base interactions energy: -20.221 where: short stacking energy: -20.221 Base-Backbone interact. energy: -0.000 local terms energy: -27.780589 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -6.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -42.339582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.339582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.339582 (E_RNA) where: Base-Base interactions energy: -19.252 where: short stacking energy: -19.252 Base-Backbone interact. energy: -0.000 local terms energy: -23.087655 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -66.297584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.297584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.297584 (E_RNA) where: Base-Base interactions energy: -50.259 where: short stacking energy: -22.962 Base-Backbone interact. energy: -0.013 local terms energy: -16.025157 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -2.233 flat angles P-C4'-P energy: -0.520 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -46.402983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.402983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.402983 (E_RNA) where: Base-Base interactions energy: -20.293 where: short stacking energy: -20.293 Base-Backbone interact. energy: -0.002 local terms energy: -26.108071 where: bonds (distance) C4'-P energy: -4.155 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -7.124 flat angles P-C4'-P energy: -5.256 tors. eta vs tors. theta energy: -3.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -84.246583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.246583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.246583 (E_RNA) where: Base-Base interactions energy: -55.694 where: short stacking energy: -24.238 Base-Backbone interact. energy: -0.006 local terms energy: -28.546398 where: bonds (distance) C4'-P energy: -5.834 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -4.440 tors. eta vs tors. theta energy: -5.203 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: 159 Temperature: 0.950000 Total energy: -83.515941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.515941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.515941 (E_RNA) where: Base-Base interactions energy: -63.214 where: short stacking energy: -22.454 Base-Backbone interact. energy: -0.050 local terms energy: -20.252137 where: bonds (distance) C4'-P energy: -5.471 bonds (distance) P-C4' energy: -5.062 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -0.048 tors. eta vs tors. theta energy: -5.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -79.509462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.509462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.509462 (E_RNA) where: Base-Base interactions energy: -51.816 where: short stacking energy: -20.266 Base-Backbone interact. energy: -0.100 local terms energy: -27.593289 where: bonds (distance) C4'-P energy: -4.250 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.536 flat angles P-C4'-P energy: -4.592 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: 4, replica: 4 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -85.582658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.582658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.582658 (E_RNA) where: Base-Base interactions energy: -66.941 where: short stacking energy: -25.344 Base-Backbone interact. energy: -0.189 local terms energy: -18.452303 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -5.655 flat angles C4'-P-C4' energy: -4.140 flat angles P-C4'-P energy: 2.204 tors. eta vs tors. theta energy: -5.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -79.883488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.883488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.883488 (E_RNA) where: Base-Base interactions energy: -53.535 where: short stacking energy: -20.263 Base-Backbone interact. energy: -0.007 local terms energy: -26.342365 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -5.392 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -3.749 tors. eta vs tors. theta energy: -3.901 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: 10 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -52.354356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.354356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.354356 (E_RNA) where: Base-Base interactions energy: -28.341 where: short stacking energy: -28.341 Base-Backbone interact. energy: -0.000 local terms energy: -24.012800 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -3.370 flat angles P-C4'-P energy: -3.328 tors. eta vs tors. theta energy: -5.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -46.573101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.573101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.573101 (E_RNA) where: Base-Base interactions energy: -22.695 where: short stacking energy: -22.695 Base-Backbone interact. energy: -0.022 local terms energy: -23.856467 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -2.847 tors. eta vs tors. theta energy: -3.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -72.971073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.971073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.971073 (E_RNA) where: Base-Base interactions energy: -46.790 where: short stacking energy: -19.590 Base-Backbone interact. energy: -0.000 local terms energy: -26.180389 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -1.320 tors. eta vs tors. theta energy: -4.827 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: 159 Temperature: 1.300000 Total energy: -45.331331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.331331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.331331 (E_RNA) where: Base-Base interactions energy: -17.226 where: short stacking energy: -17.226 Base-Backbone interact. energy: -0.000 local terms energy: -28.105660 where: bonds (distance) C4'-P energy: -4.121 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -3.629 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: 10, replica: 9 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -45.455978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.455978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.455978 (E_RNA) where: Base-Base interactions energy: -17.133 where: short stacking energy: -17.133 Base-Backbone interact. energy: -0.003 local terms energy: -28.320316 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -5.577 tors. eta vs tors. theta energy: -2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -89.256975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.256975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.256975 (E_RNA) where: Base-Base interactions energy: -60.093 where: short stacking energy: -20.019 Base-Backbone interact. energy: -0.264 local terms energy: -28.899850 where: bonds (distance) C4'-P energy: -5.293 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -7.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -83.111625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.111625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.111625 (E_RNA) where: Base-Base interactions energy: -62.150 where: short stacking energy: -22.052 Base-Backbone interact. energy: -0.001 local terms energy: -20.961171 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -1.702 flat angles C4'-P-C4' energy: -5.852 flat angles P-C4'-P energy: -1.258 tors. eta vs tors. theta energy: -5.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -78.426043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.426043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.426043 (E_RNA) where: Base-Base interactions energy: -58.608 where: short stacking energy: -23.290 Base-Backbone interact. energy: -0.101 local terms energy: -19.716649 where: bonds (distance) C4'-P energy: -2.634 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -2.252 tors. eta vs tors. theta energy: -2.276 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: 4 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -79.150098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.150098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.150098 (E_RNA) where: Base-Base interactions energy: -55.776 where: short stacking energy: -20.171 Base-Backbone interact. energy: -0.000 local terms energy: -23.374000 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -2.210 tors. eta vs tors. theta energy: -2.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -80.429047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.429047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.429047 (E_RNA) where: Base-Base interactions energy: -54.699 where: short stacking energy: -25.315 Base-Backbone interact. energy: -0.002 local terms energy: -25.728086 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -5.480 tors. eta vs tors. theta energy: -0.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -51.532760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.532760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.532760 (E_RNA) where: Base-Base interactions energy: -25.166 where: short stacking energy: -14.009 Base-Backbone interact. energy: -0.003 local terms energy: -26.363576 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.502 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -0.840 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: 5 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -49.022459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.022459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.022459 (E_RNA) where: Base-Base interactions energy: -20.863 where: short stacking energy: -20.863 Base-Backbone interact. energy: -0.000 local terms energy: -28.159729 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -5.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -46.249791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.249791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.249791 (E_RNA) where: Base-Base interactions energy: -21.035 where: short stacking energy: -21.035 Base-Backbone interact. energy: -0.077 local terms energy: -25.137977 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -2.958 tors. eta vs tors. theta energy: -3.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -42.762548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.762548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.762548 (E_RNA) where: Base-Base interactions energy: -19.952 where: short stacking energy: -19.952 Base-Backbone interact. energy: 1.729 local terms energy: -24.538929 where: bonds (distance) C4'-P energy: -4.100 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.353 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -43.942113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.942113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.942113 (E_RNA) where: Base-Base interactions energy: -29.856 where: short stacking energy: -11.263 Base-Backbone interact. energy: -0.221 local terms energy: -13.864694 where: bonds (distance) C4'-P energy: -4.440 bonds (distance) P-C4' energy: -3.473 flat angles C4'-P-C4' energy: -1.788 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: 1.477 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: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -92.647749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.647749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.647749 (E_RNA) where: Base-Base interactions energy: -64.802 where: short stacking energy: -21.170 Base-Backbone interact. energy: -0.631 local terms energy: -27.214962 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: 0.019 tors. eta vs tors. theta energy: -6.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -92.454828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.454828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.454828 (E_RNA) where: Base-Base interactions energy: -68.398 where: short stacking energy: -24.208 Base-Backbone interact. energy: -0.019 local terms energy: -24.037566 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: 1.012 tors. eta vs tors. theta energy: -4.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -81.937948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.937948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.937948 (E_RNA) where: Base-Base interactions energy: -59.953 where: short stacking energy: -18.847 Base-Backbone interact. energy: -0.009 local terms energy: -21.975843 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -0.060 tors. eta vs tors. theta energy: -4.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -81.654464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.654464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.654464 (E_RNA) where: Base-Base interactions energy: -53.852 where: short stacking energy: -21.973 Base-Backbone interact. energy: -0.000 local terms energy: -27.802200 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.386 flat angles P-C4'-P energy: -4.977 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: 5, replica: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -80.705201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.705201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.705201 (E_RNA) where: Base-Base interactions energy: -61.004 where: short stacking energy: -23.060 Base-Backbone interact. energy: -0.005 local terms energy: -19.696692 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: 0.183 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -48.015527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.015527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.015527 (E_RNA) where: Base-Base interactions energy: -22.491 where: short stacking energy: -18.967 Base-Backbone interact. energy: -0.278 local terms energy: -25.247024 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -1.871 tors. eta vs tors. theta energy: -3.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -51.021712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.021712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.021712 (E_RNA) where: Base-Base interactions energy: -29.390 where: short stacking energy: -18.791 Base-Backbone interact. energy: -0.001 local terms energy: -21.631035 where: bonds (distance) C4'-P energy: -4.883 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -1.222 tors. eta vs tors. theta energy: -4.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -50.059050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.059050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.059050 (E_RNA) where: Base-Base interactions energy: -23.863 where: short stacking energy: -23.863 Base-Backbone interact. energy: -0.008 local terms energy: -26.187615 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.404 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -3.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -36.667216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.667216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.667216 (E_RNA) where: Base-Base interactions energy: -16.821 where: short stacking energy: -16.794 Base-Backbone interact. energy: -0.376 local terms energy: -19.470014 where: bonds (distance) C4'-P energy: -3.930 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -1.951 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -37.036663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.036663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.036663 (E_RNA) where: Base-Base interactions energy: -15.747 where: short stacking energy: -15.747 Base-Backbone interact. energy: 0.843 local terms energy: -22.132421 where: bonds (distance) C4'-P energy: -2.884 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -2.580 tors. eta vs tors. theta energy: -4.481 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: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -94.756991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.756991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.756991 (E_RNA) where: Base-Base interactions energy: -71.325 where: short stacking energy: -27.564 Base-Backbone interact. energy: -0.001 local terms energy: -23.430123 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: 0.844 tors. eta vs tors. theta energy: -4.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -82.117330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.117330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.117330 (E_RNA) where: Base-Base interactions energy: -58.841 where: short stacking energy: -21.868 Base-Backbone interact. energy: -0.550 local terms energy: -22.726425 where: bonds (distance) C4'-P energy: -4.005 bonds (distance) P-C4' energy: -5.188 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -1.897 tors. eta vs tors. theta energy: -5.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -84.927445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.927445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.927445 (E_RNA) where: Base-Base interactions energy: -63.406 where: short stacking energy: -22.617 Base-Backbone interact. energy: -0.001 local terms energy: -21.520406 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: 0.002 tors. eta vs tors. theta energy: -4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -79.873094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.873094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.873094 (E_RNA) where: Base-Base interactions energy: -52.819 where: short stacking energy: -20.940 Base-Backbone interact. energy: -0.100 local terms energy: -26.953942 where: bonds (distance) C4'-P energy: -4.167 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.784 flat angles P-C4'-P energy: -0.902 tors. eta vs tors. theta energy: -6.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -77.786262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.786262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.786262 (E_RNA) where: Base-Base interactions energy: -52.067 where: short stacking energy: -20.416 Base-Backbone interact. energy: -0.002 local terms energy: -25.717276 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -54.155832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.155832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.155832 (E_RNA) where: Base-Base interactions energy: -23.737 where: short stacking energy: -19.439 Base-Backbone interact. energy: -0.002 local terms energy: -30.416979 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -6.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -49.688596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.688596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.688596 (E_RNA) where: Base-Base interactions energy: -29.885 where: short stacking energy: -10.619 Base-Backbone interact. energy: -0.165 local terms energy: -19.638958 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: 3.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -40.245695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.245695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.245695 (E_RNA) where: Base-Base interactions energy: -17.242 where: short stacking energy: -17.242 Base-Backbone interact. energy: 0.071 local terms energy: -23.075351 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -4.922 flat angles C4'-P-C4' energy: -3.368 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -3.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -45.247362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.247362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.247362 (E_RNA) where: Base-Base interactions energy: -23.037 where: short stacking energy: -23.037 Base-Backbone interact. energy: -0.038 local terms energy: -22.172565 where: bonds (distance) C4'-P energy: -2.503 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.055 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -38.070982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.070982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.070982 (E_RNA) where: Base-Base interactions energy: -11.830 where: short stacking energy: -11.830 Base-Backbone interact. energy: -0.009 local terms energy: -26.231341 where: bonds (distance) C4'-P energy: -4.333 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.454 flat angles P-C4'-P energy: -3.342 tors. eta vs tors. theta energy: -3.562 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: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -90.759678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.759678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.759678 (E_RNA) where: Base-Base interactions energy: -64.034 where: short stacking energy: -26.369 Base-Backbone interact. energy: -0.193 local terms energy: -26.532960 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -2.302 tors. eta vs tors. theta energy: -5.101 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: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -82.697854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.697854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.697854 (E_RNA) where: Base-Base interactions energy: -60.320 where: short stacking energy: -23.370 Base-Backbone interact. energy: -0.001 local terms energy: -22.376501 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -2.213 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -5.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -88.963550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.963550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.963550 (E_RNA) where: Base-Base interactions energy: -66.764 where: short stacking energy: -24.846 Base-Backbone interact. energy: -0.121 local terms energy: -22.078219 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: 1.035 tors. eta vs tors. theta energy: -5.321 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: 4, replica: 3 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -77.974315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.974315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.974315 (E_RNA) where: Base-Base interactions energy: -51.726 where: short stacking energy: -23.112 Base-Backbone interact. energy: -0.003 local terms energy: -26.245865 where: bonds (distance) C4'-P energy: -5.222 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -3.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -75.566804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.566804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.566804 (E_RNA) where: Base-Base interactions energy: -49.674 where: short stacking energy: -22.754 Base-Backbone interact. energy: -0.000 local terms energy: -25.892971 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -6.003 flat angles C4'-P-C4' energy: -7.819 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -3.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -44.396665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.396665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.396665 (E_RNA) where: Base-Base interactions energy: -20.187 where: short stacking energy: -19.187 Base-Backbone interact. energy: -0.006 local terms energy: -24.203231 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -2.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -50.159236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.159236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.159236 (E_RNA) where: Base-Base interactions energy: -22.639 where: short stacking energy: -22.639 Base-Backbone interact. energy: -0.003 local terms energy: -27.517074 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -5.637 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: 8, replica: 6 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -45.084225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.084225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.084225 (E_RNA) where: Base-Base interactions energy: -20.507 where: short stacking energy: -16.774 Base-Backbone interact. energy: -0.001 local terms energy: -24.576551 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -1.712 tors. eta vs tors. theta energy: -4.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -42.392809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.392809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.392809 (E_RNA) where: Base-Base interactions energy: -22.163 where: short stacking energy: -19.967 Base-Backbone interact. energy: -0.035 local terms energy: -20.195285 where: bonds (distance) C4'-P energy: -2.602 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -5.928 tors. eta vs tors. theta energy: -0.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -38.164234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.164234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.164234 (E_RNA) where: Base-Base interactions energy: -17.098 where: short stacking energy: -17.098 Base-Backbone interact. energy: -0.000 local terms energy: -21.066059 where: bonds (distance) C4'-P energy: -2.510 bonds (distance) P-C4' energy: -3.495 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -5.836 tors. eta vs tors. theta energy: -4.952 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: 1, replica: 2 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -83.121572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.121572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.121572 (E_RNA) where: Base-Base interactions energy: -61.099 where: short stacking energy: -22.781 Base-Backbone interact. energy: -0.035 local terms energy: -21.987755 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -2.251 flat angles P-C4'-P energy: -1.825 tors. eta vs tors. theta energy: -3.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -85.388117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.388117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.388117 (E_RNA) where: Base-Base interactions energy: -62.364 where: short stacking energy: -20.971 Base-Backbone interact. energy: -0.549 local terms energy: -22.474756 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -0.935 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -82.593464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.593464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.593464 (E_RNA) where: Base-Base interactions energy: -56.961 where: short stacking energy: -16.648 Base-Backbone interact. energy: -0.000 local terms energy: -25.632717 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -7.161 flat angles P-C4'-P energy: -3.064 tors. eta vs tors. theta energy: -1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -84.410604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.410604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.410604 (E_RNA) where: Base-Base interactions energy: -63.787 where: short stacking energy: -21.279 Base-Backbone interact. energy: -0.006 local terms energy: -20.618451 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -1.995 flat angles P-C4'-P energy: -0.310 tors. eta vs tors. theta energy: -4.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -46.034029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.034029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.034029 (E_RNA) where: Base-Base interactions energy: -20.422 where: short stacking energy: -15.601 Base-Backbone interact. energy: -0.075 local terms energy: -25.536971 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -1.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -81.800563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.800563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.800563 (E_RNA) where: Base-Base interactions energy: -53.962 where: short stacking energy: -18.648 Base-Backbone interact. energy: -0.100 local terms energy: -27.738596 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -2.354 tors. eta vs tors. theta energy: -4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -46.702535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.702535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.702535 (E_RNA) where: Base-Base interactions energy: -21.276 where: short stacking energy: -21.276 Base-Backbone interact. energy: -0.021 local terms energy: -25.405547 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: -3.951 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: 8, replica: 5 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -45.380644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.380644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.380644 (E_RNA) where: Base-Base interactions energy: -20.587 where: short stacking energy: -19.422 Base-Backbone interact. energy: -0.046 local terms energy: -24.747604 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -3.492 flat angles P-C4'-P energy: -3.132 tors. eta vs tors. theta energy: -5.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -40.461308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.461308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.461308 (E_RNA) where: Base-Base interactions energy: -18.427 where: short stacking energy: -18.427 Base-Backbone interact. energy: -0.003 local terms energy: -22.030769 where: bonds (distance) C4'-P energy: -3.658 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -2.295 tors. eta vs tors. theta energy: -4.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -41.205192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.205192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.205192 (E_RNA) where: Base-Base interactions energy: -22.062 where: short stacking energy: -15.454 Base-Backbone interact. energy: -0.005 local terms energy: -19.137936 where: bonds (distance) C4'-P energy: -4.822 bonds (distance) P-C4' energy: -3.525 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -84.968886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.968886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.968886 (E_RNA) where: Base-Base interactions energy: -61.796 where: short stacking energy: -18.802 Base-Backbone interact. energy: -0.017 local terms energy: -23.156028 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -3.067 tors. eta vs tors. theta energy: -4.192 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: 3 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -88.973943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.973943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.973943 (E_RNA) where: Base-Base interactions energy: -68.244 where: short stacking energy: -26.381 Base-Backbone interact. energy: -0.031 local terms energy: -20.699269 where: bonds (distance) C4'-P energy: -4.891 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: 1.092 tors. eta vs tors. theta energy: -5.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -80.885965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.885965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.885965 (E_RNA) where: Base-Base interactions energy: -59.731 where: short stacking energy: -21.079 Base-Backbone interact. energy: -0.170 local terms energy: -20.984518 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -2.565 flat angles P-C4'-P energy: -1.779 tors. eta vs tors. theta energy: -4.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -50.882765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.882765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.882765 (E_RNA) where: Base-Base interactions energy: -23.491 where: short stacking energy: -23.491 Base-Backbone interact. energy: -0.002 local terms energy: -27.390615 where: bonds (distance) C4'-P energy: -5.040 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -3.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -90.637911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.637911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.637911 (E_RNA) where: Base-Base interactions energy: -67.963 where: short stacking energy: -23.990 Base-Backbone interact. energy: -0.005 local terms energy: -22.669949 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: 0.530 tors. eta vs tors. theta energy: -5.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -46.401897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.401897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.401897 (E_RNA) where: Base-Base interactions energy: -20.955 where: short stacking energy: -20.955 Base-Backbone interact. energy: -0.002 local terms energy: -25.444398 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -2.962 tors. eta vs tors. theta energy: -3.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -66.150527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.150527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.150527 (E_RNA) where: Base-Base interactions energy: -49.379 where: short stacking energy: -20.122 Base-Backbone interact. energy: 1.190 local terms energy: -17.960940 where: bonds (distance) C4'-P energy: -2.097 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -2.933 tors. eta vs tors. theta energy: -1.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -47.266376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.266376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.266376 (E_RNA) where: Base-Base interactions energy: -21.859 where: short stacking energy: -21.859 Base-Backbone interact. energy: -0.000 local terms energy: -25.407256 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -2.775 tors. eta vs tors. theta energy: -6.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -46.162258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.162258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.162258 (E_RNA) where: Base-Base interactions energy: -19.646 where: short stacking energy: -19.646 Base-Backbone interact. energy: -0.069 local terms energy: -26.447089 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -2.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -46.613863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.613863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.613863 (E_RNA) where: Base-Base interactions energy: -28.152 where: short stacking energy: -23.923 Base-Backbone interact. energy: -0.027 local terms energy: -18.435609 where: bonds (distance) C4'-P energy: -3.595 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -5.195 flat angles P-C4'-P energy: 1.216 tors. eta vs tors. theta energy: -4.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -86.878325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.878325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.878325 (E_RNA) where: Base-Base interactions energy: -56.485 where: short stacking energy: -21.525 Base-Backbone interact. energy: -0.000 local terms energy: -30.393139 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -4.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -83.966302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.966302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.966302 (E_RNA) where: Base-Base interactions energy: -59.813 where: short stacking energy: -24.743 Base-Backbone interact. energy: -1.010 local terms energy: -23.143427 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -2.013 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -86.468693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.468693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.468693 (E_RNA) where: Base-Base interactions energy: -56.783 where: short stacking energy: -22.764 Base-Backbone interact. energy: -0.575 local terms energy: -29.110800 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -4.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -78.434797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.434797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.434797 (E_RNA) where: Base-Base interactions energy: -48.169 where: short stacking energy: -20.966 Base-Backbone interact. energy: -0.010 local terms energy: -30.256495 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -2.573 tors. eta vs tors. theta energy: -6.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -57.136101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.136101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.136101 (E_RNA) where: Base-Base interactions energy: -28.777 where: short stacking energy: -28.777 Base-Backbone interact. energy: -0.000 local terms energy: -28.358937 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.010 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -4.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -89.196374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.196374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.196374 (E_RNA) where: Base-Base interactions energy: -67.275 where: short stacking energy: -25.653 Base-Backbone interact. energy: 0.101 local terms energy: -22.022948 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: 1.682 tors. eta vs tors. theta energy: -5.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -47.361792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.361792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.361792 (E_RNA) where: Base-Base interactions energy: -28.223 where: short stacking energy: -10.503 Base-Backbone interact. energy: -0.019 local terms energy: -19.119817 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -3.265 tors. eta vs tors. theta energy: 0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -40.266330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.266330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.266330 (E_RNA) where: Base-Base interactions energy: -15.867 where: short stacking energy: -15.867 Base-Backbone interact. energy: -0.081 local terms energy: -24.318360 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -1.818 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -39.367835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.367835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.367835 (E_RNA) where: Base-Base interactions energy: -15.267 where: short stacking energy: -15.267 Base-Backbone interact. energy: -0.001 local terms energy: -24.099941 where: bonds (distance) C4'-P energy: -2.498 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -5.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -47.314764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.314764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.314764 (E_RNA) where: Base-Base interactions energy: -23.530 where: short stacking energy: -23.530 Base-Backbone interact. energy: -0.000 local terms energy: -23.784116 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -2.483 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -3.092 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: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -86.806866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.806866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.806866 (E_RNA) where: Base-Base interactions energy: -58.379 where: short stacking energy: -20.829 Base-Backbone interact. energy: -0.007 local terms energy: -28.421019 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -2.128 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: 2, replica: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -80.146426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.146426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.146426 (E_RNA) where: Base-Base interactions energy: -50.242 where: short stacking energy: -20.830 Base-Backbone interact. energy: -0.001 local terms energy: -29.904135 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -3.401 tors. eta vs tors. theta energy: -5.785 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: 167 Temperature: 1.000000 Total energy: -83.732059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.732059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.732059 (E_RNA) where: Base-Base interactions energy: -57.685 where: short stacking energy: -23.833 Base-Backbone interact. energy: -0.002 local terms energy: -26.044838 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -2.494 tors. eta vs tors. theta energy: -4.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -87.953009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.953009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.953009 (E_RNA) where: Base-Base interactions energy: -63.127 where: short stacking energy: -20.481 Base-Backbone interact. energy: -0.107 local terms energy: -24.718867 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -3.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -52.783682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.783682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.783682 (E_RNA) where: Base-Base interactions energy: -25.911 where: short stacking energy: -22.517 Base-Backbone interact. energy: -0.042 local terms energy: -26.830885 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -2.510 tors. eta vs tors. theta energy: -4.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -45.875179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.875179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.875179 (E_RNA) where: Base-Base interactions energy: -22.208 where: short stacking energy: -22.208 Base-Backbone interact. energy: -0.001 local terms energy: -23.666015 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -2.355 flat angles P-C4'-P energy: -3.432 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: 7, replica: 7 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -77.043239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.043239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.043239 (E_RNA) where: Base-Base interactions energy: -53.643 where: short stacking energy: -13.577 Base-Backbone interact. energy: -0.009 local terms energy: -23.390564 where: bonds (distance) C4'-P energy: -5.181 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -47.795124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.795124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.795124 (E_RNA) where: Base-Base interactions energy: -25.330 where: short stacking energy: -24.782 Base-Backbone interact. energy: -0.024 local terms energy: -22.441132 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -2.603 flat angles P-C4'-P energy: -1.598 tors. eta vs tors. theta energy: -5.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -46.323048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.323048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.323048 (E_RNA) where: Base-Base interactions energy: -21.166 where: short stacking energy: -21.079 Base-Backbone interact. energy: -0.006 local terms energy: -25.151349 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.266 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -43.325249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.325249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.325249 (E_RNA) where: Base-Base interactions energy: -15.330 where: short stacking energy: -15.330 Base-Backbone interact. energy: -0.093 local terms energy: -27.902404 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -3.586 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: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -83.846689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.846689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.846689 (E_RNA) where: Base-Base interactions energy: -66.583 where: short stacking energy: -25.980 Base-Backbone interact. energy: 0.747 local terms energy: -18.010291 where: bonds (distance) C4'-P energy: -4.659 bonds (distance) P-C4' energy: -4.505 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: 4.318 tors. eta vs tors. theta energy: -6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -81.343240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.343240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.343240 (E_RNA) where: Base-Base interactions energy: -51.832 where: short stacking energy: -18.323 Base-Backbone interact. energy: -0.349 local terms energy: -29.162654 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -4.114 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -86.665306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.665306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.665306 (E_RNA) where: Base-Base interactions energy: -66.857 where: short stacking energy: -28.479 Base-Backbone interact. energy: -0.081 local terms energy: -19.726518 where: bonds (distance) C4'-P energy: -4.465 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: 1.255 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: 4, replica: 2 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -84.217747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.217747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.217747 (E_RNA) where: Base-Base interactions energy: -62.940 where: short stacking energy: -22.138 Base-Backbone interact. energy: -0.016 local terms energy: -21.261537 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -3.305 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -1.853 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -56.717488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.717488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.717488 (E_RNA) where: Base-Base interactions energy: -30.786 where: short stacking energy: -30.786 Base-Backbone interact. energy: -0.000 local terms energy: -25.931900 where: bonds (distance) C4'-P energy: -5.911 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -2.969 tors. eta vs tors. theta energy: -8.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -43.933222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.933222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.933222 (E_RNA) where: Base-Base interactions energy: -17.344 where: short stacking energy: -17.344 Base-Backbone interact. energy: -0.002 local terms energy: -26.586557 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -3.419 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: 168 Temperature: 1.200000 Total energy: -73.823180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.823180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.823180 (E_RNA) where: Base-Base interactions energy: -45.956 where: short stacking energy: -15.497 Base-Backbone interact. energy: -0.042 local terms energy: -27.825052 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.965 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -3.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -42.127761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.127761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.127761 (E_RNA) where: Base-Base interactions energy: -19.413 where: short stacking energy: -19.413 Base-Backbone interact. energy: -0.000 local terms energy: -22.714222 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -47.423138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.423138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.423138 (E_RNA) where: Base-Base interactions energy: -19.052 where: short stacking energy: -19.052 Base-Backbone interact. energy: -0.000 local terms energy: -28.371117 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -5.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -37.995313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.995313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.995313 (E_RNA) where: Base-Base interactions energy: -21.544 where: short stacking energy: -13.727 Base-Backbone interact. energy: -0.045 local terms energy: -16.406768 where: bonds (distance) C4'-P energy: -2.121 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -1.606 flat angles P-C4'-P energy: -3.158 tors. eta vs tors. theta energy: -1.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -89.216170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.216170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.216170 (E_RNA) where: Base-Base interactions energy: -64.657 where: short stacking energy: -25.467 Base-Backbone interact. energy: -0.002 local terms energy: -24.557488 where: bonds (distance) C4'-P energy: -4.357 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -1.911 tors. eta vs tors. theta energy: -3.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -89.824531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.824531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.824531 (E_RNA) where: Base-Base interactions energy: -64.933 where: short stacking energy: -25.859 Base-Backbone interact. energy: -0.193 local terms energy: -24.698849 where: bonds (distance) C4'-P energy: -5.356 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -2.652 tors. eta vs tors. theta energy: -5.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -87.600543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.600543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.600543 (E_RNA) where: Base-Base interactions energy: -61.121 where: short stacking energy: -23.205 Base-Backbone interact. energy: -0.070 local terms energy: -26.409515 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -0.342 tors. eta vs tors. theta energy: -6.834 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: 2 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -87.291199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.291199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.291199 (E_RNA) where: Base-Base interactions energy: -70.859 where: short stacking energy: -28.093 Base-Backbone interact. energy: -0.237 local terms energy: -16.194925 where: bonds (distance) C4'-P energy: -2.318 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: 2.318 tors. eta vs tors. theta energy: -4.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -49.788955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.788955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.788955 (E_RNA) where: Base-Base interactions energy: -25.619 where: short stacking energy: -19.412 Base-Backbone interact. energy: -0.001 local terms energy: -24.168266 where: bonds (distance) C4'-P energy: -5.259 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -4.142 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: 6, replica: 7 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -75.632724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.632724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.632724 (E_RNA) where: Base-Base interactions energy: -51.067 where: short stacking energy: -20.418 Base-Backbone interact. energy: -0.325 local terms energy: -24.241258 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -2.789 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: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -47.545062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.545062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.545062 (E_RNA) where: Base-Base interactions energy: -19.463 where: short stacking energy: -19.463 Base-Backbone interact. energy: -0.000 local terms energy: -28.082502 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -4.902 tors. eta vs tors. theta energy: -4.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -39.052256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.052256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.052256 (E_RNA) where: Base-Base interactions energy: -16.833 where: short stacking energy: -16.833 Base-Backbone interact. energy: -0.000 local terms energy: -22.219587 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -2.306 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -4.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -43.594054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.594054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.594054 (E_RNA) where: Base-Base interactions energy: -20.858 where: short stacking energy: -16.496 Base-Backbone interact. energy: -0.030 local terms energy: -22.706509 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -2.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -38.973799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.973799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.973799 (E_RNA) where: Base-Base interactions energy: -11.462 where: short stacking energy: -11.462 Base-Backbone interact. energy: -0.000 local terms energy: -27.511314 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -5.625 tors. eta vs tors. theta energy: -2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -89.641394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.641394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.641394 (E_RNA) where: Base-Base interactions energy: -66.221 where: short stacking energy: -22.863 Base-Backbone interact. energy: -0.005 local terms energy: -23.416091 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -2.870 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -3.092 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: 3 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -92.407030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.407030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.407030 (E_RNA) where: Base-Base interactions energy: -65.883 where: short stacking energy: -25.860 Base-Backbone interact. energy: -0.251 local terms energy: -26.273725 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -1.586 tors. eta vs tors. theta energy: -6.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -82.510302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.510302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.510302 (E_RNA) where: Base-Base interactions energy: -60.115 where: short stacking energy: -23.384 Base-Backbone interact. energy: -0.008 local terms energy: -22.387190 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: 0.216 tors. eta vs tors. theta energy: -5.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -83.782931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.782931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.782931 (E_RNA) where: Base-Base interactions energy: -60.026 where: short stacking energy: -18.469 Base-Backbone interact. energy: -0.003 local terms energy: -23.753834 where: bonds (distance) C4'-P energy: -4.064 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -2.072 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -78.228744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.228744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.228744 (E_RNA) where: Base-Base interactions energy: -52.326 where: short stacking energy: -24.455 Base-Backbone interact. energy: -0.001 local terms energy: -25.901793 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -5.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -38.766745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.766745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.766745 (E_RNA) where: Base-Base interactions energy: -15.633 where: short stacking energy: -15.633 Base-Backbone interact. energy: -0.047 local terms energy: -23.086844 where: bonds (distance) C4'-P energy: -2.283 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -1.226 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: 5 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -46.163626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.163626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.163626 (E_RNA) where: Base-Base interactions energy: -19.830 where: short stacking energy: -19.830 Base-Backbone interact. energy: -0.008 local terms energy: -26.325345 where: bonds (distance) C4'-P energy: -4.370 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -4.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -39.787423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.787423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.787423 (E_RNA) where: Base-Base interactions energy: -17.178 where: short stacking energy: -17.178 Base-Backbone interact. energy: -0.031 local terms energy: -22.578557 where: bonds (distance) C4'-P energy: -3.476 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -2.957 tors. eta vs tors. theta energy: -3.066 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: 4 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -39.050290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.050290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.050290 (E_RNA) where: Base-Base interactions energy: -15.259 where: short stacking energy: -15.259 Base-Backbone interact. energy: -0.000 local terms energy: -23.791058 where: bonds (distance) C4'-P energy: -5.421 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -5.020 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -34.908503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.908503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.908503 (E_RNA) where: Base-Base interactions energy: -12.639 where: short stacking energy: -12.639 Base-Backbone interact. energy: -0.041 local terms energy: -22.228330 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.000 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -1.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -88.505388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.505388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.505388 (E_RNA) where: Base-Base interactions energy: -65.336 where: short stacking energy: -24.215 Base-Backbone interact. energy: -0.002 local terms energy: -23.167006 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -0.371 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: 2, replica: 2 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -93.291828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.291828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.291828 (E_RNA) where: Base-Base interactions energy: -72.169 where: short stacking energy: -27.698 Base-Backbone interact. energy: -0.013 local terms energy: -21.109445 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: 1.114 tors. eta vs tors. theta energy: -4.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -89.426530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.426530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.426530 (E_RNA) where: Base-Base interactions energy: -64.645 where: short stacking energy: -22.871 Base-Backbone interact. energy: -0.000 local terms energy: -24.781468 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -3.356 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: -5.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -89.594159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.594159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.594159 (E_RNA) where: Base-Base interactions energy: -63.414 where: short stacking energy: -23.066 Base-Backbone interact. energy: 0.095 local terms energy: -26.275630 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -1.565 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: 5, replica: 10 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -81.671125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.671125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.671125 (E_RNA) where: Base-Base interactions energy: -61.415 where: short stacking energy: -21.933 Base-Backbone interact. energy: -0.320 local terms energy: -19.935448 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -2.836 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: 1.222 tors. eta vs tors. theta energy: -3.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -62.522745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.522745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.522745 (E_RNA) where: Base-Base interactions energy: -41.645 where: short stacking energy: -17.986 Base-Backbone interact. energy: -0.016 local terms energy: -20.861897 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -47.996318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.996318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.996318 (E_RNA) where: Base-Base interactions energy: -24.302 where: short stacking energy: -24.302 Base-Backbone interact. energy: -0.000 local terms energy: -23.693903 where: bonds (distance) C4'-P energy: -3.628 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -2.262 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -3.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -46.149731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.149731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.149731 (E_RNA) where: Base-Base interactions energy: -18.700 where: short stacking energy: -18.700 Base-Backbone interact. energy: -0.000 local terms energy: -27.450034 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.079 flat angles C4'-P-C4' energy: -4.526 flat angles P-C4'-P energy: -4.937 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) ================================== temp. level: 9, replica: 6 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -40.297984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.297984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.297984 (E_RNA) where: Base-Base interactions energy: -18.897 where: short stacking energy: -18.897 Base-Backbone interact. energy: -0.645 local terms energy: -20.755964 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -1.192 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -42.015168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.015168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.015168 (E_RNA) where: Base-Base interactions energy: -16.108 where: short stacking energy: -16.108 Base-Backbone interact. energy: -0.210 local terms energy: -25.696736 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -3.512 tors. eta vs tors. theta energy: -2.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -82.040573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.040573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.040573 (E_RNA) where: Base-Base interactions energy: -57.218 where: short stacking energy: -23.292 Base-Backbone interact. energy: -0.078 local terms energy: -24.744192 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -3.633 tors. eta vs tors. theta energy: -4.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -86.241319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.241319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.241319 (E_RNA) where: Base-Base interactions energy: -63.291 where: short stacking energy: -20.224 Base-Backbone interact. energy: -0.219 local terms energy: -22.731966 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -5.320 flat angles P-C4'-P energy: 0.192 tors. eta vs tors. theta energy: -5.128 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: 3, replica: 7 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -79.050911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.050911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.050911 (E_RNA) where: Base-Base interactions energy: -52.723 where: short stacking energy: -23.630 Base-Backbone interact. energy: -0.004 local terms energy: -26.323891 where: bonds (distance) C4'-P energy: -2.837 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -2.349 tors. eta vs tors. theta energy: -6.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -81.389863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.389863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.389863 (E_RNA) where: Base-Base interactions energy: -51.990 where: short stacking energy: -23.727 Base-Backbone interact. energy: -0.001 local terms energy: -29.399787 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -6.228 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -6.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -79.610466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.610466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.610466 (E_RNA) where: Base-Base interactions energy: -54.856 where: short stacking energy: -25.573 Base-Backbone interact. energy: -0.003 local terms energy: -24.751372 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -3.470 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -6.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -45.951241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.951241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.951241 (E_RNA) where: Base-Base interactions energy: -24.711 where: short stacking energy: -24.711 Base-Backbone interact. energy: -0.000 local terms energy: -21.239535 where: bonds (distance) C4'-P energy: -1.688 bonds (distance) P-C4' energy: -5.060 flat angles C4'-P-C4' energy: -1.947 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -7.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -48.207282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.207282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.207282 (E_RNA) where: Base-Base interactions energy: -23.086 where: short stacking energy: -23.086 Base-Backbone interact. energy: -0.002 local terms energy: -25.119301 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -4.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -43.977927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.977927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.977927 (E_RNA) where: Base-Base interactions energy: -15.663 where: short stacking energy: -15.663 Base-Backbone interact. energy: -0.000 local terms energy: -28.314017 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -6.164 tors. eta vs tors. theta energy: -4.305 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: 9, replica: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -38.222543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.222543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.222543 (E_RNA) where: Base-Base interactions energy: -18.244 where: short stacking energy: -8.604 Base-Backbone interact. energy: -0.280 local terms energy: -19.698342 where: bonds (distance) C4'-P energy: -3.533 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -4.009 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: -0.707 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: 172 Temperature: 1.350000 Total energy: -41.914545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.914545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.914545 (E_RNA) where: Base-Base interactions energy: -26.254 where: short stacking energy: -14.010 Base-Backbone interact. energy: -0.074 local terms energy: -15.586285 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -2.966 flat angles C4'-P-C4' energy: -3.779 flat angles P-C4'-P energy: 0.113 tors. eta vs tors. theta energy: -2.402 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: 173 Temperature: 0.900000 Total energy: -83.729698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.729698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.729698 (E_RNA) where: Base-Base interactions energy: -55.063 where: short stacking energy: -21.037 Base-Backbone interact. energy: -0.020 local terms energy: -28.647320 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -2.685 tors. eta vs tors. theta energy: -6.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -85.685821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.685821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.685821 (E_RNA) where: Base-Base interactions energy: -60.921 where: short stacking energy: -25.305 Base-Backbone interact. energy: -0.001 local terms energy: -24.763707 where: bonds (distance) C4'-P energy: -5.032 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -1.387 tors. eta vs tors. theta energy: -4.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -83.540110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.540110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.540110 (E_RNA) where: Base-Base interactions energy: -61.755 where: short stacking energy: -21.765 Base-Backbone interact. energy: -0.018 local terms energy: -21.767214 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -5.293 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -0.595 tors. eta vs tors. theta energy: -4.797 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: 4, replica: 10 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -85.786819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.786819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.786819 (E_RNA) where: Base-Base interactions energy: -63.793 where: short stacking energy: -26.601 Base-Backbone interact. energy: -0.341 local terms energy: -21.652199 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.337 flat angles P-C4'-P energy: -0.551 tors. eta vs tors. theta energy: -4.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -85.008962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.008962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.008962 (E_RNA) where: Base-Base interactions energy: -59.113 where: short stacking energy: -22.239 Base-Backbone interact. energy: -0.525 local terms energy: -25.370693 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -1.813 tors. eta vs tors. theta energy: -4.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -46.436048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.436048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.436048 (E_RNA) where: Base-Base interactions energy: -22.406 where: short stacking energy: -22.406 Base-Backbone interact. energy: -0.010 local terms energy: -24.019652 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -1.847 tors. eta vs tors. theta energy: -4.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -46.583325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.583325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.583325 (E_RNA) where: Base-Base interactions energy: -20.890 where: short stacking energy: -20.890 Base-Backbone interact. energy: -0.013 local terms energy: -25.679671 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -1.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -45.060900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.060900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.060900 (E_RNA) where: Base-Base interactions energy: -21.373 where: short stacking energy: -21.373 Base-Backbone interact. energy: -0.084 local terms energy: -23.603602 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -36.673480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.673480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.673480 (E_RNA) where: Base-Base interactions energy: -14.520 where: short stacking energy: -14.520 Base-Backbone interact. energy: -0.002 local terms energy: -22.151538 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: -2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -43.744851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.744851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.744851 (E_RNA) where: Base-Base interactions energy: -30.148 where: short stacking energy: -14.779 Base-Backbone interact. energy: -0.600 local terms energy: -12.996842 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -3.750 flat angles C4'-P-C4' energy: 0.822 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -0.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -78.413350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.413350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.413350 (E_RNA) where: Base-Base interactions energy: -52.866 where: short stacking energy: -18.849 Base-Backbone interact. energy: -0.013 local terms energy: -25.534260 where: bonds (distance) C4'-P energy: -5.731 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -2.650 tors. eta vs tors. theta energy: -3.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -82.383880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.383880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.383880 (E_RNA) where: Base-Base interactions energy: -55.416 where: short stacking energy: -24.838 Base-Backbone interact. energy: -0.000 local terms energy: -26.967540 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -72.654352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.654352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.654352 (E_RNA) where: Base-Base interactions energy: -48.281 where: short stacking energy: -14.160 Base-Backbone interact. energy: -0.100 local terms energy: -24.273579 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: -0.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -91.043567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.043567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.043567 (E_RNA) where: Base-Base interactions energy: -70.078 where: short stacking energy: -24.472 Base-Backbone interact. energy: -0.011 local terms energy: -20.953857 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -3.714 flat angles P-C4'-P energy: 0.622 tors. eta vs tors. theta energy: -4.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -53.094170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.094170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.094170 (E_RNA) where: Base-Base interactions energy: -32.273 where: short stacking energy: -14.627 Base-Backbone interact. energy: -0.122 local terms energy: -20.699419 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.323 flat angles P-C4'-P energy: -2.166 tors. eta vs tors. theta energy: -1.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -75.334356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.334356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.334356 (E_RNA) where: Base-Base interactions energy: -53.032 where: short stacking energy: -23.365 Base-Backbone interact. energy: -0.000 local terms energy: -22.301996 where: bonds (distance) C4'-P energy: -5.421 bonds (distance) P-C4' energy: -4.419 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -5.402 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: 7, replica: 1 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -46.532985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.532985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.532985 (E_RNA) where: Base-Base interactions energy: -21.581 where: short stacking energy: -21.581 Base-Backbone interact. energy: -0.000 local terms energy: -24.951365 where: bonds (distance) C4'-P energy: -3.116 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -2.715 tors. eta vs tors. theta energy: -5.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -52.452417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.452417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.452417 (E_RNA) where: Base-Base interactions energy: -25.390 where: short stacking energy: -22.178 Base-Backbone interact. energy: -0.005 local terms energy: -27.058133 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.644 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -2.301 tors. eta vs tors. theta energy: -5.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -47.249540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.249540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.249540 (E_RNA) where: Base-Base interactions energy: -27.915 where: short stacking energy: -16.869 Base-Backbone interact. energy: -0.002 local terms energy: -19.333201 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: -0.951 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: 10, replica: 9 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -43.061793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.061793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.061793 (E_RNA) where: Base-Base interactions energy: -22.442 where: short stacking energy: -20.177 Base-Backbone interact. energy: -0.085 local terms energy: -20.535332 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -4.373 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -1.425 tors. eta vs tors. theta energy: -3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -91.330649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.330649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.330649 (E_RNA) where: Base-Base interactions energy: -67.101 where: short stacking energy: -27.238 Base-Backbone interact. energy: -0.533 local terms energy: -23.697310 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.893 flat angles P-C4'-P energy: 0.636 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -81.272471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.272471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.272471 (E_RNA) where: Base-Base interactions energy: -53.660 where: short stacking energy: -24.892 Base-Backbone interact. energy: -0.002 local terms energy: -27.610880 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -74.835845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.835845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.835845 (E_RNA) where: Base-Base interactions energy: -51.156 where: short stacking energy: -13.147 Base-Backbone interact. energy: -0.071 local terms energy: -23.608598 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -2.116 tors. eta vs tors. theta energy: -0.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -92.743758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.743758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.743758 (E_RNA) where: Base-Base interactions energy: -73.675 where: short stacking energy: -28.110 Base-Backbone interact. energy: -0.042 local terms energy: -19.027302 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: 3.242 tors. eta vs tors. theta energy: -5.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -42.508468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.508468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.508468 (E_RNA) where: Base-Base interactions energy: -23.451 where: short stacking energy: -21.054 Base-Backbone interact. energy: 0.081 local terms energy: -19.138107 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: 1.100 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: 6, replica: 1 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -41.305976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.305976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.305976 (E_RNA) where: Base-Base interactions energy: -20.225 where: short stacking energy: -20.225 Base-Backbone interact. energy: -0.002 local terms energy: -21.078323 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -4.829 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -51.241452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.241452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.241452 (E_RNA) where: Base-Base interactions energy: -25.618 where: short stacking energy: -11.269 Base-Backbone interact. energy: -0.067 local terms energy: -25.557025 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -1.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -46.332034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.332034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.332034 (E_RNA) where: Base-Base interactions energy: -24.024 where: short stacking energy: -10.712 Base-Backbone interact. energy: 0.120 local terms energy: -22.428050 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.741 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -45.779352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.779352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.779352 (E_RNA) where: Base-Base interactions energy: -21.698 where: short stacking energy: -15.388 Base-Backbone interact. energy: -0.123 local terms energy: -23.958176 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -3.731 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -39.003456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.003456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.003456 (E_RNA) where: Base-Base interactions energy: -16.868 where: short stacking energy: -10.933 Base-Backbone interact. energy: -0.108 local terms energy: -22.028188 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -0.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -82.606405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.606405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.606405 (E_RNA) where: Base-Base interactions energy: -54.090 where: short stacking energy: -20.128 Base-Backbone interact. energy: -0.013 local terms energy: -28.503294 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -2.275 tors. eta vs tors. theta energy: -4.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -93.000613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.000613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.000613 (E_RNA) where: Base-Base interactions energy: -69.843 where: short stacking energy: -26.760 Base-Backbone interact. energy: -0.032 local terms energy: -23.124712 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: 0.460 tors. eta vs tors. theta energy: -5.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -81.988152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.988152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.988152 (E_RNA) where: Base-Base interactions energy: -57.165 where: short stacking energy: -20.310 Base-Backbone interact. energy: -0.086 local terms energy: -24.736711 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -0.851 tors. eta vs tors. theta energy: -6.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -77.369350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.369350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.369350 (E_RNA) where: Base-Base interactions energy: -50.787 where: short stacking energy: -18.228 Base-Backbone interact. energy: -0.005 local terms energy: -26.577441 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -5.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -46.362487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.362487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.362487 (E_RNA) where: Base-Base interactions energy: -18.914 where: short stacking energy: -14.761 Base-Backbone interact. energy: -0.067 local terms energy: -27.381801 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.474 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -4.026 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: 1 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -48.492248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.492248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.492248 (E_RNA) where: Base-Base interactions energy: -22.974 where: short stacking energy: -22.974 Base-Backbone interact. energy: -0.129 local terms energy: -25.388576 where: bonds (distance) C4'-P energy: -5.040 bonds (distance) P-C4' energy: -5.507 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -5.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -80.864102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.864102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.864102 (E_RNA) where: Base-Base interactions energy: -55.634 where: short stacking energy: -22.884 Base-Backbone interact. energy: -0.000 local terms energy: -25.230444 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.916 flat angles P-C4'-P energy: 0.445 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -40.224531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.224531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.224531 (E_RNA) where: Base-Base interactions energy: -18.719 where: short stacking energy: -11.913 Base-Backbone interact. energy: -0.028 local terms energy: -21.477443 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -36.887065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.887065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.887065 (E_RNA) where: Base-Base interactions energy: -15.077 where: short stacking energy: -13.636 Base-Backbone interact. energy: -0.012 local terms energy: -21.798047 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -3.511 flat angles P-C4'-P energy: -0.789 tors. eta vs tors. theta energy: -3.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -36.314053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.314053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.314053 (E_RNA) where: Base-Base interactions energy: -14.799 where: short stacking energy: -13.841 Base-Backbone interact. energy: -0.087 local terms energy: -21.427953 where: bonds (distance) C4'-P energy: -4.159 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.570 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -1.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -83.484218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.484218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.484218 (E_RNA) where: Base-Base interactions energy: -56.939 where: short stacking energy: -25.064 Base-Backbone interact. energy: -0.002 local terms energy: -26.542999 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -1.616 tors. eta vs tors. theta energy: -5.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -90.232143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.232143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.232143 (E_RNA) where: Base-Base interactions energy: -69.385 where: short stacking energy: -29.002 Base-Backbone interact. energy: -0.096 local terms energy: -20.751046 where: bonds (distance) C4'-P energy: -5.359 bonds (distance) P-C4' energy: -5.952 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: 0.973 tors. eta vs tors. theta energy: -6.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -91.357344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.357344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.357344 (E_RNA) where: Base-Base interactions energy: -64.462 where: short stacking energy: -22.595 Base-Backbone interact. energy: -0.004 local terms energy: -26.891453 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -1.754 tors. eta vs tors. theta energy: -6.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -87.147690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.147690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.147690 (E_RNA) where: Base-Base interactions energy: -58.922 where: short stacking energy: -20.537 Base-Backbone interact. energy: -0.001 local terms energy: -28.224946 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -5.231 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: 177 Temperature: 1.100000 Total energy: -80.530062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.530062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.530062 (E_RNA) where: Base-Base interactions energy: -58.900 where: short stacking energy: -22.293 Base-Backbone interact. energy: -0.930 local terms energy: -20.699987 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -1.749 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -82.289332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.289332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.289332 (E_RNA) where: Base-Base interactions energy: -59.951 where: short stacking energy: -21.887 Base-Backbone interact. energy: -0.309 local terms energy: -22.029469 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -3.688 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -4.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -71.046990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.046990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.046990 (E_RNA) where: Base-Base interactions energy: -46.859 where: short stacking energy: -19.624 Base-Backbone interact. energy: -0.033 local terms energy: -24.154981 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -1.454 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -40.150162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.150162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.150162 (E_RNA) where: Base-Base interactions energy: -16.821 where: short stacking energy: -16.821 Base-Backbone interact. energy: -0.001 local terms energy: -23.328240 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -4.355 flat angles C4'-P-C4' energy: -4.596 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -4.833 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: 9, replica: 3 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -43.218655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.218655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.218655 (E_RNA) where: Base-Base interactions energy: -22.406 where: short stacking energy: -13.088 Base-Backbone interact. energy: -0.000 local terms energy: -20.812232 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: 0.212 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: 5 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -50.667927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.667927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.667927 (E_RNA) where: Base-Base interactions energy: -26.254 where: short stacking energy: -16.576 Base-Backbone interact. energy: -0.067 local terms energy: -24.346252 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -90.282732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.282732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.282732 (E_RNA) where: Base-Base interactions energy: -72.267 where: short stacking energy: -26.368 Base-Backbone interact. energy: -0.005 local terms energy: -18.011124 where: bonds (distance) C4'-P energy: -4.957 bonds (distance) P-C4' energy: -5.955 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: 4.254 tors. eta vs tors. theta energy: -5.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -88.828641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.828641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.828641 (E_RNA) where: Base-Base interactions energy: -67.753 where: short stacking energy: -25.706 Base-Backbone interact. energy: 0.060 local terms energy: -21.135020 where: bonds (distance) C4'-P energy: -4.746 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: 1.484 tors. eta vs tors. theta energy: -5.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -85.411760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.411760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.411760 (E_RNA) where: Base-Base interactions energy: -63.144 where: short stacking energy: -22.016 Base-Backbone interact. energy: -0.025 local terms energy: -22.242747 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: 1.599 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -80.835201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.835201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.835201 (E_RNA) where: Base-Base interactions energy: -55.449 where: short stacking energy: -20.660 Base-Backbone interact. energy: -0.074 local terms energy: -25.311600 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -6.243 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -2.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -78.618548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.618548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.618548 (E_RNA) where: Base-Base interactions energy: -50.757 where: short stacking energy: -22.428 Base-Backbone interact. energy: -0.001 local terms energy: -27.860516 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -6.765 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -5.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -77.154517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.154517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.154517 (E_RNA) where: Base-Base interactions energy: -51.284 where: short stacking energy: -19.539 Base-Backbone interact. energy: 0.036 local terms energy: -25.906122 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -4.407 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -4.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -78.717206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.717206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.717206 (E_RNA) where: Base-Base interactions energy: -52.655 where: short stacking energy: -25.055 Base-Backbone interact. energy: -0.000 local terms energy: -26.062548 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -1.682 tors. eta vs tors. theta energy: -5.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -44.373337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.373337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.373337 (E_RNA) where: Base-Base interactions energy: -25.803 where: short stacking energy: -14.870 Base-Backbone interact. energy: -0.037 local terms energy: -18.533334 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -1.443 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -1.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -44.165193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.165193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.165193 (E_RNA) where: Base-Base interactions energy: -19.793 where: short stacking energy: -15.865 Base-Backbone interact. energy: -0.015 local terms energy: -24.356986 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -5.823 tors. eta vs tors. theta energy: -2.564 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: 3 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -38.809019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.809019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.809019 (E_RNA) where: Base-Base interactions energy: -14.672 where: short stacking energy: -14.672 Base-Backbone interact. energy: -0.067 local terms energy: -24.069986 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -4.796 tors. eta vs tors. theta energy: 0.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -86.435445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.435445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.435445 (E_RNA) where: Base-Base interactions energy: -64.296 where: short stacking energy: -23.508 Base-Backbone interact. energy: -0.158 local terms energy: -21.980659 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: 0.982 tors. eta vs tors. theta energy: -3.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -87.242022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.242022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.242022 (E_RNA) where: Base-Base interactions energy: -61.764 where: short stacking energy: -25.008 Base-Backbone interact. energy: -0.000 local terms energy: -25.477961 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -1.538 tors. eta vs tors. theta energy: -4.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -94.626537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.626537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.626537 (E_RNA) where: Base-Base interactions energy: -72.725 where: short stacking energy: -28.303 Base-Backbone interact. energy: -0.002 local terms energy: -21.899037 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: 2.213 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: 4, replica: 4 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -80.511523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.511523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.511523 (E_RNA) where: Base-Base interactions energy: -57.384 where: short stacking energy: -22.344 Base-Backbone interact. energy: -0.007 local terms energy: -23.120600 where: bonds (distance) C4'-P energy: -5.040 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -0.808 tors. eta vs tors. theta energy: -5.255 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: 5, replica: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -78.067814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.067814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.067814 (E_RNA) where: Base-Base interactions energy: -54.886 where: short stacking energy: -24.844 Base-Backbone interact. energy: 1.006 local terms energy: -24.187707 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -2.925 flat angles P-C4'-P energy: -2.230 tors. eta vs tors. theta energy: -6.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -73.294945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.294945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.294945 (E_RNA) where: Base-Base interactions energy: -48.401 where: short stacking energy: -18.241 Base-Backbone interact. energy: -0.720 local terms energy: -24.174090 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: -3.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -85.635756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.635756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.635756 (E_RNA) where: Base-Base interactions energy: -63.267 where: short stacking energy: -24.646 Base-Backbone interact. energy: -0.003 local terms energy: -22.365348 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.153 flat angles P-C4'-P energy: 0.020 tors. eta vs tors. theta energy: -2.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -43.780648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.780648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.780648 (E_RNA) where: Base-Base interactions energy: -16.931 where: short stacking energy: -16.931 Base-Backbone interact. energy: -0.034 local terms energy: -26.816129 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -6.636 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -3.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -47.003231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.003231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.003231 (E_RNA) where: Base-Base interactions energy: -21.373 where: short stacking energy: -21.373 Base-Backbone interact. energy: -0.003 local terms energy: -25.627762 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -5.751 tors. eta vs tors. theta energy: -1.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -45.163409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.163409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.163409 (E_RNA) where: Base-Base interactions energy: -19.010 where: short stacking energy: -17.746 Base-Backbone interact. energy: -0.000 local terms energy: -26.153042 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -3.367 flat angles P-C4'-P energy: -5.820 tors. eta vs tors. theta energy: -2.443 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: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -86.526774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.526774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.526774 (E_RNA) where: Base-Base interactions energy: -61.537 where: short stacking energy: -25.412 Base-Backbone interact. energy: -0.000 local terms energy: -24.989627 where: bonds (distance) C4'-P energy: -4.730 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -0.006 tors. eta vs tors. theta energy: -6.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -77.792271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.792271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.792271 (E_RNA) where: Base-Base interactions energy: -52.339 where: short stacking energy: -21.031 Base-Backbone interact. energy: -0.832 local terms energy: -24.620836 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -6.149 flat angles P-C4'-P energy: -2.229 tors. eta vs tors. theta energy: -4.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -95.949056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.949056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.949056 (E_RNA) where: Base-Base interactions energy: -70.783 where: short stacking energy: -25.029 Base-Backbone interact. energy: -0.123 local terms energy: -25.043087 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: 0.668 tors. eta vs tors. theta energy: -5.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -79.651859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.651859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.651859 (E_RNA) where: Base-Base interactions energy: -50.434 where: short stacking energy: -22.687 Base-Backbone interact. energy: 0.139 local terms energy: -29.356968 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -5.054 tors. eta vs tors. theta energy: -3.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -80.958177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.958177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.958177 (E_RNA) where: Base-Base interactions energy: -63.253 where: short stacking energy: -23.119 Base-Backbone interact. energy: -0.004 local terms energy: -17.700999 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: 0.699 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -0.379 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: 6, replica: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -80.913310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.913310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.913310 (E_RNA) where: Base-Base interactions energy: -59.245 where: short stacking energy: -24.276 Base-Backbone interact. energy: -0.469 local terms energy: -21.198849 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: 0.113 tors. eta vs tors. theta energy: -3.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -81.144093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.144093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.144093 (E_RNA) where: Base-Base interactions energy: -60.500 where: short stacking energy: -19.803 Base-Backbone interact. energy: -0.004 local terms energy: -20.640321 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -1.127 flat angles P-C4'-P energy: -2.128 tors. eta vs tors. theta energy: -4.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -41.354310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.354310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.354310 (E_RNA) where: Base-Base interactions energy: -17.976 where: short stacking energy: -17.976 Base-Backbone interact. energy: -0.003 local terms energy: -23.375435 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -49.188510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.188510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.188510 (E_RNA) where: Base-Base interactions energy: -21.677 where: short stacking energy: -21.677 Base-Backbone interact. energy: -0.000 local terms energy: -27.511527 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -4.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -42.269895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.269895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.269895 (E_RNA) where: Base-Base interactions energy: -16.326 where: short stacking energy: -16.326 Base-Backbone interact. energy: -0.002 local terms energy: -25.942048 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -3.521 tors. eta vs tors. theta energy: -3.354 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: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -87.224113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.224113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.224113 (E_RNA) where: Base-Base interactions energy: -64.933 where: short stacking energy: -24.863 Base-Backbone interact. energy: -0.403 local terms energy: -21.887813 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: 0.499 tors. eta vs tors. theta energy: -5.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -85.926374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.926374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.926374 (E_RNA) where: Base-Base interactions energy: -67.592 where: short stacking energy: -27.592 Base-Backbone interact. energy: -0.057 local terms energy: -18.277024 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -4.348 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: 1.640 tors. eta vs tors. theta energy: -4.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -89.679257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.679257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.679257 (E_RNA) where: Base-Base interactions energy: -63.760 where: short stacking energy: -24.478 Base-Backbone interact. energy: -0.001 local terms energy: -25.918944 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -2.437 tors. eta vs tors. theta energy: -4.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -86.706999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.706999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.706999 (E_RNA) where: Base-Base interactions energy: -60.700 where: short stacking energy: -20.459 Base-Backbone interact. energy: -0.000 local terms energy: -26.007034 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -1.097 tors. eta vs tors. theta energy: -5.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -79.174744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.174744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.174744 (E_RNA) where: Base-Base interactions energy: -59.414 where: short stacking energy: -19.181 Base-Backbone interact. energy: 1.540 local terms energy: -21.301273 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.124 flat angles P-C4'-P energy: -2.249 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -86.656138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.656138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.656138 (E_RNA) where: Base-Base interactions energy: -66.465 where: short stacking energy: -26.306 Base-Backbone interact. energy: -0.405 local terms energy: -19.785691 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: 3.227 tors. eta vs tors. theta energy: -4.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -76.461186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.461186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.461186 (E_RNA) where: Base-Base interactions energy: -57.020 where: short stacking energy: -20.271 Base-Backbone interact. energy: 3.310 local terms energy: -22.750897 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -2.405 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -46.940515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.940515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.940515 (E_RNA) where: Base-Base interactions energy: -22.996 where: short stacking energy: -22.996 Base-Backbone interact. energy: -0.000 local terms energy: -23.944765 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -4.660 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -3.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -40.168174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.168174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.168174 (E_RNA) where: Base-Base interactions energy: -17.812 where: short stacking energy: -17.812 Base-Backbone interact. energy: -0.003 local terms energy: -22.353730 where: bonds (distance) C4'-P energy: -4.271 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -1.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -44.446885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.446885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.446885 (E_RNA) where: Base-Base interactions energy: -17.550 where: short stacking energy: -17.369 Base-Backbone interact. energy: -0.005 local terms energy: -26.891708 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: -5.637 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -94.162416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.162416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.162416 (E_RNA) where: Base-Base interactions energy: -71.818 where: short stacking energy: -27.584 Base-Backbone interact. energy: -0.390 local terms energy: -21.954624 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: 2.895 tors. eta vs tors. theta energy: -5.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -83.570540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.570540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.570540 (E_RNA) where: Base-Base interactions energy: -56.003 where: short stacking energy: -16.701 Base-Backbone interact. energy: -0.001 local terms energy: -27.566112 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -5.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -80.144277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.144277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.144277 (E_RNA) where: Base-Base interactions energy: -54.103 where: short stacking energy: -21.800 Base-Backbone interact. energy: -0.040 local terms energy: -26.001282 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -1.101 tors. eta vs tors. theta energy: -6.003 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: 182 Temperature: 1.050000 Total energy: -88.096128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.096128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.096128 (E_RNA) where: Base-Base interactions energy: -64.484 where: short stacking energy: -24.080 Base-Backbone interact. energy: -0.001 local terms energy: -23.611096 where: bonds (distance) C4'-P energy: -5.322 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -1.481 tors. eta vs tors. theta energy: -5.180 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: 6 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -82.953649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.953649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.953649 (E_RNA) where: Base-Base interactions energy: -58.817 where: short stacking energy: -18.653 Base-Backbone interact. energy: -0.035 local terms energy: -24.102591 where: bonds (distance) C4'-P energy: -6.278 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -0.387 tors. eta vs tors. theta energy: -5.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -61.698090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.698090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.698090 (E_RNA) where: Base-Base interactions energy: -36.176 where: short stacking energy: -21.270 Base-Backbone interact. energy: -0.027 local terms energy: -25.495029 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -4.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -80.585401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.585401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.585401 (E_RNA) where: Base-Base interactions energy: -52.100 where: short stacking energy: -21.224 Base-Backbone interact. energy: -0.002 local terms energy: -28.483997 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -7.695 flat angles P-C4'-P energy: -5.192 tors. eta vs tors. theta energy: -4.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -49.597409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.597409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.597409 (E_RNA) where: Base-Base interactions energy: -21.744 where: short stacking energy: -21.744 Base-Backbone interact. energy: -0.000 local terms energy: -27.853246 where: bonds (distance) C4'-P energy: -3.124 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -5.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -43.776386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.776386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.776386 (E_RNA) where: Base-Base interactions energy: -19.947 where: short stacking energy: -19.947 Base-Backbone interact. energy: -0.001 local terms energy: -23.828272 where: bonds (distance) C4'-P energy: -3.798 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -4.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -44.361476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.361476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.361476 (E_RNA) where: Base-Base interactions energy: -17.424 where: short stacking energy: -17.424 Base-Backbone interact. energy: -0.000 local terms energy: -26.937372 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -4.802 tors. eta vs tors. theta energy: -5.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -87.657612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.657612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.657612 (E_RNA) where: Base-Base interactions energy: -64.145 where: short stacking energy: -24.170 Base-Backbone interact. energy: -0.647 local terms energy: -22.865330 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -5.962 flat angles C4'-P-C4' energy: -3.778 flat angles P-C4'-P energy: -0.294 tors. eta vs tors. theta energy: -5.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -85.119870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.119870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.119870 (E_RNA) where: Base-Base interactions energy: -62.304 where: short stacking energy: -20.962 Base-Backbone interact. energy: -0.001 local terms energy: -22.815242 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: 1.357 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -80.804239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.804239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.804239 (E_RNA) where: Base-Base interactions energy: -49.096 where: short stacking energy: -19.478 Base-Backbone interact. energy: -0.411 local terms energy: -31.297219 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.255 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -5.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -85.769513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.769513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.769513 (E_RNA) where: Base-Base interactions energy: -61.128 where: short stacking energy: -22.184 Base-Backbone interact. energy: -0.003 local terms energy: -24.638296 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -5.646 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -0.915 tors. eta vs tors. theta energy: -5.460 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: 8 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -81.192958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.192958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.192958 (E_RNA) where: Base-Base interactions energy: -56.985 where: short stacking energy: -24.787 Base-Backbone interact. energy: -0.004 local terms energy: -24.203335 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -3.275 flat angles P-C4'-P energy: -4.181 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: 6, replica: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -80.236452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.236452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.236452 (E_RNA) where: Base-Base interactions energy: -56.944 where: short stacking energy: -20.419 Base-Backbone interact. energy: -0.061 local terms energy: -23.231310 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -1.274 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -41.809747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.809747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.809747 (E_RNA) where: Base-Base interactions energy: -20.907 where: short stacking energy: -11.498 Base-Backbone interact. energy: -0.182 local terms energy: -20.720804 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: 3.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -68.565406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.565406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.565406 (E_RNA) where: Base-Base interactions energy: -45.904 where: short stacking energy: -21.544 Base-Backbone interact. energy: -0.000 local terms energy: -22.661760 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -3.268 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -4.545 tors. eta vs tors. theta energy: -3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -44.200760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.200760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.200760 (E_RNA) where: Base-Base interactions energy: -20.249 where: short stacking energy: -20.249 Base-Backbone interact. energy: -0.001 local terms energy: -23.950980 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: -4.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -40.668380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.668380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.668380 (E_RNA) where: Base-Base interactions energy: -22.840 where: short stacking energy: -12.114 Base-Backbone interact. energy: -0.130 local terms energy: -17.698103 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: 0.495 tors. eta vs tors. theta energy: 0.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -91.438279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.438279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.438279 (E_RNA) where: Base-Base interactions energy: -66.130 where: short stacking energy: -25.085 Base-Backbone interact. energy: -0.001 local terms energy: -25.307275 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -1.679 tors. eta vs tors. theta energy: -5.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -87.487884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.487884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.487884 (E_RNA) where: Base-Base interactions energy: -62.950 where: short stacking energy: -21.728 Base-Backbone interact. energy: -0.293 local terms energy: -24.245231 where: bonds (distance) C4'-P energy: -3.240 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -2.361 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: 3, replica: 10 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -79.999084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.999084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.999084 (E_RNA) where: Base-Base interactions energy: -49.568 where: short stacking energy: -21.428 Base-Backbone interact. energy: -0.002 local terms energy: -30.428714 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -4.999 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: 4, replica: 6 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -83.436852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.436852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.436852 (E_RNA) where: Base-Base interactions energy: -58.285 where: short stacking energy: -22.029 Base-Backbone interact. energy: -0.001 local terms energy: -25.151263 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -1.718 tors. eta vs tors. theta energy: -5.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -71.580727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.580727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.580727 (E_RNA) where: Base-Base interactions energy: -46.730 where: short stacking energy: -18.345 Base-Backbone interact. energy: -0.639 local terms energy: -24.210886 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.296 flat angles C4'-P-C4' energy: -4.563 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -3.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -76.629424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.629424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.629424 (E_RNA) where: Base-Base interactions energy: -50.222 where: short stacking energy: -21.762 Base-Backbone interact. energy: -0.019 local terms energy: -26.388901 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -1.136 tors. eta vs tors. theta energy: -6.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -47.280549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.280549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.280549 (E_RNA) where: Base-Base interactions energy: -24.949 where: short stacking energy: -24.949 Base-Backbone interact. energy: -0.027 local terms energy: -22.304428 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -1.399 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: 4 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -45.683337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.683337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.683337 (E_RNA) where: Base-Base interactions energy: -23.702 where: short stacking energy: -18.024 Base-Backbone interact. energy: -0.000 local terms energy: -21.981615 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -1.367 tors. eta vs tors. theta energy: -2.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -44.275072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.275072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.275072 (E_RNA) where: Base-Base interactions energy: -23.566 where: short stacking energy: -23.309 Base-Backbone interact. energy: -0.003 local terms energy: -20.706538 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -6.003 flat angles C4'-P-C4' energy: -2.530 flat angles P-C4'-P energy: -2.985 tors. eta vs tors. theta energy: -3.354 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: 9 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -35.998042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.998042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.998042 (E_RNA) where: Base-Base interactions energy: -13.745 where: short stacking energy: -13.745 Base-Backbone interact. energy: -0.021 local terms energy: -22.232128 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -1.179 tors. eta vs tors. theta energy: -2.159 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: 1, replica: 1 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -87.295121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.295121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.295121 (E_RNA) where: Base-Base interactions energy: -64.825 where: short stacking energy: -25.111 Base-Backbone interact. energy: -0.000 local terms energy: -22.469820 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.050 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -1.327 tors. eta vs tors. theta energy: -3.008 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: 10 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -88.563699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.563699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.563699 (E_RNA) where: Base-Base interactions energy: -66.609 where: short stacking energy: -26.223 Base-Backbone interact. energy: -0.125 local terms energy: -21.829977 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -0.130 tors. eta vs tors. theta energy: -2.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -80.680565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.680565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.680565 (E_RNA) where: Base-Base interactions energy: -51.554 where: short stacking energy: -18.412 Base-Backbone interact. energy: -0.000 local terms energy: -29.126385 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -5.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -88.664805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.664805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.664805 (E_RNA) where: Base-Base interactions energy: -69.021 where: short stacking energy: -22.650 Base-Backbone interact. energy: -0.016 local terms energy: -19.628274 where: bonds (distance) C4'-P energy: -4.746 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: 0.617 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -80.851993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.851993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.851993 (E_RNA) where: Base-Base interactions energy: -55.083 where: short stacking energy: -16.814 Base-Backbone interact. energy: -0.000 local terms energy: -25.769388 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.204 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -1.443 tors. eta vs tors. theta energy: -4.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -44.684564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.684564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.684564 (E_RNA) where: Base-Base interactions energy: -17.472 where: short stacking energy: -17.472 Base-Backbone interact. energy: -0.001 local terms energy: -27.212107 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.055 flat angles P-C4'-P energy: -6.012 tors. eta vs tors. theta energy: -5.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -80.470489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.470489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.470489 (E_RNA) where: Base-Base interactions energy: -53.970 where: short stacking energy: -24.743 Base-Backbone interact. energy: 1.286 local terms energy: -27.787015 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -5.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -44.310007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.310007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.310007 (E_RNA) where: Base-Base interactions energy: -27.765 where: short stacking energy: -15.323 Base-Backbone interact. energy: -0.005 local terms energy: -16.539642 where: bonds (distance) C4'-P energy: -2.528 bonds (distance) P-C4' energy: -1.731 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -2.862 tors. eta vs tors. theta energy: -2.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -40.052509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.052509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.052509 (E_RNA) where: Base-Base interactions energy: -16.284 where: short stacking energy: -16.284 Base-Backbone interact. energy: -0.083 local terms energy: -23.685754 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -0.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -44.181727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.181727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.181727 (E_RNA) where: Base-Base interactions energy: -16.533 where: short stacking energy: -16.533 Base-Backbone interact. energy: -0.000 local terms energy: -27.648221 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -5.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -93.552877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.552877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.552877 (E_RNA) where: Base-Base interactions energy: -67.718 where: short stacking energy: -28.079 Base-Backbone interact. energy: -0.006 local terms energy: -25.829105 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.994 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -0.088 tors. eta vs tors. theta energy: -5.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -87.206869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.206869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.206869 (E_RNA) where: Base-Base interactions energy: -65.215 where: short stacking energy: -24.473 Base-Backbone interact. energy: -0.709 local terms energy: -21.283395 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: 0.228 tors. eta vs tors. theta energy: -5.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -82.168543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.168543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.168543 (E_RNA) where: Base-Base interactions energy: -59.683 where: short stacking energy: -23.472 Base-Backbone interact. energy: -0.104 local terms energy: -22.381370 where: bonds (distance) C4'-P energy: -5.259 bonds (distance) P-C4' energy: -6.087 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -2.160 tors. eta vs tors. theta energy: -4.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -79.699307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.699307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.699307 (E_RNA) where: Base-Base interactions energy: -54.062 where: short stacking energy: -19.275 Base-Backbone interact. energy: -0.130 local terms energy: -25.507695 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -4.898 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -3.000 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -82.800753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.800753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.800753 (E_RNA) where: Base-Base interactions energy: -52.588 where: short stacking energy: -21.354 Base-Backbone interact. energy: -0.001 local terms energy: -30.212498 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.054 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -5.379 tors. eta vs tors. theta energy: -6.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -46.028925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.028925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.028925 (E_RNA) where: Base-Base interactions energy: -21.038 where: short stacking energy: -21.038 Base-Backbone interact. energy: 0.673 local terms energy: -25.663488 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -3.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -43.394297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.394297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.394297 (E_RNA) where: Base-Base interactions energy: -19.981 where: short stacking energy: -19.981 Base-Backbone interact. energy: -0.047 local terms energy: -23.365908 where: bonds (distance) C4'-P energy: -3.455 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -1.231 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: 8, replica: 8 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -44.305268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.305268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.305268 (E_RNA) where: Base-Base interactions energy: -20.137 where: short stacking energy: -20.137 Base-Backbone interact. energy: -0.001 local terms energy: -24.166544 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -44.328350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.328350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.328350 (E_RNA) where: Base-Base interactions energy: -17.556 where: short stacking energy: -17.359 Base-Backbone interact. energy: -0.004 local terms energy: -26.767777 where: bonds (distance) C4'-P energy: -5.881 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -3.564 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: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -39.509512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.509512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.509512 (E_RNA) where: Base-Base interactions energy: -19.424 where: short stacking energy: -19.424 Base-Backbone interact. energy: -0.012 local terms energy: -20.073683 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -2.833 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -81.948289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.948289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.948289 (E_RNA) where: Base-Base interactions energy: -55.171 where: short stacking energy: -24.249 Base-Backbone interact. energy: -0.005 local terms energy: -26.772242 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -2.261 tors. eta vs tors. theta energy: -3.890 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: 187 Temperature: 0.950000 Total energy: -85.265498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.265498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.265498 (E_RNA) where: Base-Base interactions energy: -61.228 where: short stacking energy: -23.521 Base-Backbone interact. energy: -0.288 local terms energy: -23.749753 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -0.706 tors. eta vs tors. theta energy: -6.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -89.673287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.673287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.673287 (E_RNA) where: Base-Base interactions energy: -63.822 where: short stacking energy: -20.597 Base-Backbone interact. energy: -0.003 local terms energy: -25.848305 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -3.536 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -6.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -85.624434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.624434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.624434 (E_RNA) where: Base-Base interactions energy: -64.290 where: short stacking energy: -22.543 Base-Backbone interact. energy: -0.009 local terms energy: -21.324854 where: bonds (distance) C4'-P energy: -3.285 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -0.953 tors. eta vs tors. theta energy: -2.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -76.320511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.320511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.320511 (E_RNA) where: Base-Base interactions energy: -51.449 where: short stacking energy: -20.390 Base-Backbone interact. energy: -0.084 local terms energy: -24.787021 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -2.098 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: 5 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -51.813516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.813516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.813516 (E_RNA) where: Base-Base interactions energy: -27.516 where: short stacking energy: -14.636 Base-Backbone interact. energy: -0.109 local terms energy: -24.188570 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -1.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -56.339293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.339293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.339293 (E_RNA) where: Base-Base interactions energy: -31.333 where: short stacking energy: -16.810 Base-Backbone interact. energy: -0.022 local terms energy: -24.984463 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: -0.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -45.750967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.750967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.750967 (E_RNA) where: Base-Base interactions energy: -17.554 where: short stacking energy: -17.554 Base-Backbone interact. energy: -0.007 local terms energy: -28.189712 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -4.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -41.564614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.564614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.564614 (E_RNA) where: Base-Base interactions energy: -15.090 where: short stacking energy: -15.090 Base-Backbone interact. energy: -0.073 local terms energy: -26.401465 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.646 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: -2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -46.980395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.980395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.980395 (E_RNA) where: Base-Base interactions energy: -21.022 where: short stacking energy: -21.022 Base-Backbone interact. energy: -0.000 local terms energy: -25.958731 where: bonds (distance) C4'-P energy: -4.651 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -5.120 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -82.265165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.265165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.265165 (E_RNA) where: Base-Base interactions energy: -53.917 where: short stacking energy: -23.032 Base-Backbone interact. energy: 0.635 local terms energy: -28.983939 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -5.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -80.465426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.465426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.465426 (E_RNA) where: Base-Base interactions energy: -52.337 where: short stacking energy: -19.811 Base-Backbone interact. energy: 0.663 local terms energy: -28.791274 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -3.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -87.621639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.621639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.621639 (E_RNA) where: Base-Base interactions energy: -66.774 where: short stacking energy: -24.517 Base-Backbone interact. energy: -0.006 local terms energy: -20.841253 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -3.587 flat angles P-C4'-P energy: 1.205 tors. eta vs tors. theta energy: -4.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -85.239013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.239013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.239013 (E_RNA) where: Base-Base interactions energy: -60.519 where: short stacking energy: -19.488 Base-Backbone interact. energy: -0.012 local terms energy: -24.708394 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.254 flat angles P-C4'-P energy: -3.316 tors. eta vs tors. theta energy: -3.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -76.889168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.889168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.889168 (E_RNA) where: Base-Base interactions energy: -51.880 where: short stacking energy: -20.298 Base-Backbone interact. energy: -0.021 local terms energy: -24.988000 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -0.666 tors. eta vs tors. theta energy: -5.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -45.859951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.859951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.859951 (E_RNA) where: Base-Base interactions energy: -20.147 where: short stacking energy: -16.482 Base-Backbone interact. energy: -0.105 local terms energy: -25.608074 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -5.413 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -41.846274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.846274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.846274 (E_RNA) where: Base-Base interactions energy: -21.969 where: short stacking energy: -21.969 Base-Backbone interact. energy: 0.924 local terms energy: -20.800584 where: bonds (distance) C4'-P energy: -6.588 bonds (distance) P-C4' energy: -3.116 flat angles C4'-P-C4' energy: -2.727 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -3.248 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: 188 Temperature: 1.250000 Total energy: -39.277354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.277354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.277354 (E_RNA) where: Base-Base interactions energy: -21.779 where: short stacking energy: -8.373 Base-Backbone interact. energy: -0.260 local terms energy: -17.238044 where: bonds (distance) C4'-P energy: -4.461 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: 2.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -41.467729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.467729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.467729 (E_RNA) where: Base-Base interactions energy: -18.710 where: short stacking energy: -19.310 Base-Backbone interact. energy: -0.004 local terms energy: -22.753642 where: bonds (distance) C4'-P energy: -4.602 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -1.497 tors. eta vs tors. theta energy: -3.799 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: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -44.550507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.550507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.550507 (E_RNA) where: Base-Base interactions energy: -19.201 where: short stacking energy: -19.201 Base-Backbone interact. energy: -0.005 local terms energy: -25.345218 where: bonds (distance) C4'-P energy: -5.965 bonds (distance) P-C4' energy: -3.097 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -5.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -90.373714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.373714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.373714 (E_RNA) where: Base-Base interactions energy: -67.201 where: short stacking energy: -26.013 Base-Backbone interact. energy: -0.000 local terms energy: -23.172536 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: 0.204 tors. eta vs tors. theta energy: -4.999 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: 189 Temperature: 0.950000 Total energy: -92.207836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.207836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.207836 (E_RNA) where: Base-Base interactions energy: -67.771 where: short stacking energy: -25.427 Base-Backbone interact. energy: -0.380 local terms energy: -24.056711 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: 1.878 tors. eta vs tors. theta energy: -5.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -81.335626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.335626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.335626 (E_RNA) where: Base-Base interactions energy: -62.242 where: short stacking energy: -25.062 Base-Backbone interact. energy: -0.008 local terms energy: -19.086251 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: 1.431 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -80.277777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.277777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.277777 (E_RNA) where: Base-Base interactions energy: -57.930 where: short stacking energy: -24.411 Base-Backbone interact. energy: -0.004 local terms energy: -22.343794 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: 0.367 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: 5, replica: 2 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -73.574937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.574937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.574937 (E_RNA) where: Base-Base interactions energy: -50.481 where: short stacking energy: -13.036 Base-Backbone interact. energy: -0.187 local terms energy: -22.907007 where: bonds (distance) C4'-P energy: -4.224 bonds (distance) P-C4' energy: -5.585 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -47.523198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.523198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.523198 (E_RNA) where: Base-Base interactions energy: -22.935 where: short stacking energy: -22.935 Base-Backbone interact. energy: -0.001 local terms energy: -24.587069 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -2.717 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -48.954665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.954665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.954665 (E_RNA) where: Base-Base interactions energy: -18.974 where: short stacking energy: -18.974 Base-Backbone interact. energy: -0.000 local terms energy: -29.980747 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -5.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -43.727234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.727234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.727234 (E_RNA) where: Base-Base interactions energy: -16.361 where: short stacking energy: -16.361 Base-Backbone interact. energy: -0.000 local terms energy: -27.366349 where: bonds (distance) C4'-P energy: -5.889 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.776 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -4.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -40.505643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.505643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.505643 (E_RNA) where: Base-Base interactions energy: -18.779 where: short stacking energy: -18.779 Base-Backbone interact. energy: -0.000 local terms energy: -21.726838 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -2.208 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -3.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -40.605253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.605253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.605253 (E_RNA) where: Base-Base interactions energy: -17.597 where: short stacking energy: -17.597 Base-Backbone interact. energy: -0.000 local terms energy: -23.008052 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -5.952 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -2.225 tors. eta vs tors. theta energy: -0.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -92.974432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.974432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.974432 (E_RNA) where: Base-Base interactions energy: -71.292 where: short stacking energy: -25.946 Base-Backbone interact. energy: -0.504 local terms energy: -21.178205 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.355 flat angles P-C4'-P energy: 2.292 tors. eta vs tors. theta energy: -4.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -89.626397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.626397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.626397 (E_RNA) where: Base-Base interactions energy: -66.714 where: short stacking energy: -24.262 Base-Backbone interact. energy: -0.007 local terms energy: -22.905017 where: bonds (distance) C4'-P energy: -5.413 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -1.248 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -83.123000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.123000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.123000 (E_RNA) where: Base-Base interactions energy: -59.472 where: short stacking energy: -26.453 Base-Backbone interact. energy: -0.000 local terms energy: -23.650623 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -5.385 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -2.539 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: 4, replica: 6 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -78.485564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.485564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.485564 (E_RNA) where: Base-Base interactions energy: -48.587 where: short stacking energy: -20.477 Base-Backbone interact. energy: -0.010 local terms energy: -29.889014 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -5.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -63.090778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.090778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.090778 (E_RNA) where: Base-Base interactions energy: -43.446 where: short stacking energy: -13.801 Base-Backbone interact. energy: -0.167 local terms energy: -19.476919 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -4.845 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -0.851 tors. eta vs tors. theta energy: -0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -59.352039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.352039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.352039 (E_RNA) where: Base-Base interactions energy: -30.800 where: short stacking energy: -17.215 Base-Backbone interact. energy: -0.008 local terms energy: -28.544203 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -5.016 tors. eta vs tors. theta energy: -2.395 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: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -42.413370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.413370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.413370 (E_RNA) where: Base-Base interactions energy: -18.722 where: short stacking energy: -18.722 Base-Backbone interact. energy: -0.033 local terms energy: -23.657631 where: bonds (distance) C4'-P energy: -2.577 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -5.272 tors. eta vs tors. theta energy: -1.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -47.621939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.621939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.621939 (E_RNA) where: Base-Base interactions energy: -21.808 where: short stacking energy: -21.808 Base-Backbone interact. energy: -0.000 local terms energy: -25.813793 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -4.378 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -5.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -45.779571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.779571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.779571 (E_RNA) where: Base-Base interactions energy: -19.640 where: short stacking energy: -15.420 Base-Backbone interact. energy: -0.001 local terms energy: -26.138608 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -5.716 tors. eta vs tors. theta energy: -0.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -43.273453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.273453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.273453 (E_RNA) where: Base-Base interactions energy: -20.786 where: short stacking energy: -20.786 Base-Backbone interact. energy: -0.000 local terms energy: -22.487392 where: bonds (distance) C4'-P energy: -5.616 bonds (distance) P-C4' energy: -4.893 flat angles C4'-P-C4' energy: -4.508 flat angles P-C4'-P energy: -2.593 tors. eta vs tors. theta energy: -4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -88.414672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.414672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.414672 (E_RNA) where: Base-Base interactions energy: -64.044 where: short stacking energy: -25.209 Base-Backbone interact. energy: -0.004 local terms energy: -24.366470 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -1.012 tors. eta vs tors. theta energy: -4.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -89.354074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.354074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.354074 (E_RNA) where: Base-Base interactions energy: -63.351 where: short stacking energy: -21.287 Base-Backbone interact. energy: -0.074 local terms energy: -25.928533 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -1.686 flat angles P-C4'-P energy: -3.706 tors. eta vs tors. theta energy: -6.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -77.189889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.189889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.189889 (E_RNA) where: Base-Base interactions energy: -49.709 where: short stacking energy: -16.485 Base-Backbone interact. energy: -0.098 local terms energy: -27.383161 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -4.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -70.852561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.852561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.852561 (E_RNA) where: Base-Base interactions energy: -45.557 where: short stacking energy: -17.662 Base-Backbone interact. energy: -0.000 local terms energy: -25.295188 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -81.441159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.441159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.441159 (E_RNA) where: Base-Base interactions energy: -53.514 where: short stacking energy: -24.984 Base-Backbone interact. energy: -0.000 local terms energy: -27.926520 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -4.777 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -7.107 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: 5 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -51.040114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.040114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.040114 (E_RNA) where: Base-Base interactions energy: -23.462 where: short stacking energy: -23.462 Base-Backbone interact. energy: -0.007 local terms energy: -27.570462 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -3.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -45.187427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.187427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.187427 (E_RNA) where: Base-Base interactions energy: -18.935 where: short stacking energy: -18.935 Base-Backbone interact. energy: -0.004 local terms energy: -26.248546 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -5.322 tors. eta vs tors. theta energy: -2.204 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: 8 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -43.760668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.760668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.760668 (E_RNA) where: Base-Base interactions energy: -18.289 where: short stacking energy: -14.351 Base-Backbone interact. energy: -0.026 local terms energy: -25.445848 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -2.623 tors. eta vs tors. theta energy: -3.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -38.542996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.542996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.542996 (E_RNA) where: Base-Base interactions energy: -16.976 where: short stacking energy: -16.976 Base-Backbone interact. energy: -0.000 local terms energy: -21.566489 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: 0.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -42.518680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.518680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.518680 (E_RNA) where: Base-Base interactions energy: -20.248 where: short stacking energy: -20.248 Base-Backbone interact. energy: -0.002 local terms energy: -22.268718 where: bonds (distance) C4'-P energy: -4.361 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -2.269 tors. eta vs tors. theta energy: -4.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -91.202085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.202085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.202085 (E_RNA) where: Base-Base interactions energy: -68.880 where: short stacking energy: -26.273 Base-Backbone interact. energy: -0.002 local terms energy: -22.320462 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -1.104 tors. eta vs tors. theta energy: -5.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -82.280217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.280217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.280217 (E_RNA) where: Base-Base interactions energy: -57.166 where: short stacking energy: -20.854 Base-Backbone interact. energy: -0.694 local terms energy: -24.420012 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -0.922 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -90.245838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.245838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.245838 (E_RNA) where: Base-Base interactions energy: -72.683 where: short stacking energy: -25.188 Base-Backbone interact. energy: -0.086 local terms energy: -17.477135 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.163 flat angles P-C4'-P energy: 3.683 tors. eta vs tors. theta energy: -2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -73.438000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.438000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.438000 (E_RNA) where: Base-Base interactions energy: -53.198 where: short stacking energy: -17.426 Base-Backbone interact. energy: -0.015 local terms energy: -20.225917 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -2.978 flat angles P-C4'-P energy: -2.497 tors. eta vs tors. theta energy: -2.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -82.602191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.602191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.602191 (E_RNA) where: Base-Base interactions energy: -65.280 where: short stacking energy: -26.274 Base-Backbone interact. energy: -0.000 local terms energy: -17.321530 where: bonds (distance) C4'-P energy: -3.472 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -3.626 flat angles P-C4'-P energy: -0.304 tors. eta vs tors. theta energy: -3.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -59.089884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.089884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.089884 (E_RNA) where: Base-Base interactions energy: -31.913 where: short stacking energy: -20.102 Base-Backbone interact. energy: -0.013 local terms energy: -27.164690 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -3.323 tors. eta vs tors. theta energy: -3.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -43.235172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.235172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.235172 (E_RNA) where: Base-Base interactions energy: -20.768 where: short stacking energy: -15.426 Base-Backbone interact. energy: -0.003 local terms energy: -22.464360 where: bonds (distance) C4'-P energy: -3.915 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: -5.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -41.743677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.743677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.743677 (E_RNA) where: Base-Base interactions energy: -16.301 where: short stacking energy: -16.301 Base-Backbone interact. energy: 0.007 local terms energy: -25.449375 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -5.699 tors. eta vs tors. theta energy: -1.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -37.547501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.547501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.547501 (E_RNA) where: Base-Base interactions energy: -12.729 where: short stacking energy: -12.025 Base-Backbone interact. energy: -0.000 local terms energy: -24.818704 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -1.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -43.603230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.603230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.603230 (E_RNA) where: Base-Base interactions energy: -21.790 where: short stacking energy: -16.430 Base-Backbone interact. energy: -0.000 local terms energy: -21.812903 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -4.297 flat angles P-C4'-P energy: -0.130 tors. eta vs tors. theta energy: -6.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -84.965828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.965828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.965828 (E_RNA) where: Base-Base interactions energy: -61.841 where: short stacking energy: -24.390 Base-Backbone interact. energy: -0.004 local terms energy: -23.121275 where: bonds (distance) C4'-P energy: -2.453 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.098 flat angles P-C4'-P energy: -0.132 tors. eta vs tors. theta energy: -6.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -86.135820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.135820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.135820 (E_RNA) where: Base-Base interactions energy: -61.124 where: short stacking energy: -21.978 Base-Backbone interact. energy: -0.010 local terms energy: -25.001876 where: bonds (distance) C4'-P energy: -5.865 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -0.115 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: 3, replica: 1 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -85.486183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.486183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.486183 (E_RNA) where: Base-Base interactions energy: -67.616 where: short stacking energy: -27.177 Base-Backbone interact. energy: -0.006 local terms energy: -17.863385 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -3.452 flat angles C4'-P-C4' energy: -6.722 flat angles P-C4'-P energy: 3.818 tors. eta vs tors. theta energy: -4.546 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: 4, replica: 6 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -47.178494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.178494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.178494 (E_RNA) where: Base-Base interactions energy: -20.253 where: short stacking energy: -19.583 Base-Backbone interact. energy: 0.131 local terms energy: -27.056891 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -3.881 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: 9 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -48.057378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.057378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.057378 (E_RNA) where: Base-Base interactions energy: -20.319 where: short stacking energy: -19.867 Base-Backbone interact. energy: -0.000 local terms energy: -27.738430 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -5.861 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: 193 Temperature: 1.150000 Total energy: -61.048121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.048121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.048121 (E_RNA) where: Base-Base interactions energy: -33.053 where: short stacking energy: -17.546 Base-Backbone interact. energy: -1.158 local terms energy: -26.837383 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -1.854 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -49.710277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.710277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.710277 (E_RNA) where: Base-Base interactions energy: -31.506 where: short stacking energy: -18.794 Base-Backbone interact. energy: -0.148 local terms energy: -18.056989 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -1.609 tors. eta vs tors. theta energy: 0.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -42.212813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.212813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.212813 (E_RNA) where: Base-Base interactions energy: -17.130 where: short stacking energy: -17.245 Base-Backbone interact. energy: -0.003 local terms energy: -25.080207 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -5.946 flat angles P-C4'-P energy: -3.360 tors. eta vs tors. theta energy: -3.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -39.164883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.164883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.164883 (E_RNA) where: Base-Base interactions energy: -15.076 where: short stacking energy: -15.076 Base-Backbone interact. energy: -0.001 local terms energy: -24.088230 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -0.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -36.115399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.115399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.115399 (E_RNA) where: Base-Base interactions energy: -13.564 where: short stacking energy: -12.410 Base-Backbone interact. energy: -0.058 local terms energy: -22.493633 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -1.551 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -5.900 tors. eta vs tors. theta energy: -1.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -88.799581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.799581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.799581 (E_RNA) where: Base-Base interactions energy: -68.966 where: short stacking energy: -27.097 Base-Backbone interact. energy: -0.145 local terms energy: -19.688779 where: bonds (distance) C4'-P energy: -5.388 bonds (distance) P-C4' energy: -6.225 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -1.442 tors. eta vs tors. theta energy: -2.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -83.413161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.413161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.413161 (E_RNA) where: Base-Base interactions energy: -55.025 where: short stacking energy: -23.543 Base-Backbone interact. energy: -0.001 local terms energy: -28.387420 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -5.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -65.018070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.018070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.018070 (E_RNA) where: Base-Base interactions energy: -38.046 where: short stacking energy: -20.910 Base-Backbone interact. energy: -0.005 local terms energy: -26.967550 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -6.301 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -2.467 tors. eta vs tors. theta energy: -4.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -85.604970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.604970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.604970 (E_RNA) where: Base-Base interactions energy: -62.154 where: short stacking energy: -22.468 Base-Backbone interact. energy: -0.010 local terms energy: -23.441022 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: 0.116 tors. eta vs tors. theta energy: -4.151 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: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -43.867940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.867940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.867940 (E_RNA) where: Base-Base interactions energy: -17.247 where: short stacking energy: -14.288 Base-Backbone interact. energy: -0.081 local terms energy: -26.540520 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -4.915 tors. eta vs tors. theta energy: -2.219 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: 9 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -45.553896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.553896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.553896 (E_RNA) where: Base-Base interactions energy: -23.421 where: short stacking energy: -23.421 Base-Backbone interact. energy: -0.002 local terms energy: -22.130743 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -4.140 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -2.766 tors. eta vs tors. theta energy: -3.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -49.122092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.122092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.122092 (E_RNA) where: Base-Base interactions energy: -22.367 where: short stacking energy: -17.302 Base-Backbone interact. energy: 0.786 local terms energy: -27.540862 where: bonds (distance) C4'-P energy: -5.525 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -3.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -41.012781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.012781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.012781 (E_RNA) where: Base-Base interactions energy: -16.845 where: short stacking energy: -16.817 Base-Backbone interact. energy: -0.001 local terms energy: -24.166723 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.057 flat angles C4'-P-C4' energy: -3.873 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -2.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -38.315365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.315365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.315365 (E_RNA) where: Base-Base interactions energy: -16.518 where: short stacking energy: -16.518 Base-Backbone interact. energy: -0.003 local terms energy: -21.794140 where: bonds (distance) C4'-P energy: -3.736 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -0.315 tors. eta vs tors. theta energy: -5.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -38.179551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.179551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.179551 (E_RNA) where: Base-Base interactions energy: -13.961 where: short stacking energy: -13.961 Base-Backbone interact. energy: 1.022 local terms energy: -25.240264 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -3.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -89.617243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.617243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.617243 (E_RNA) where: Base-Base interactions energy: -67.069 where: short stacking energy: -24.097 Base-Backbone interact. energy: -0.001 local terms energy: -22.547829 where: bonds (distance) C4'-P energy: -4.564 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: 1.435 tors. eta vs tors. theta energy: -6.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -84.936711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.936711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.936711 (E_RNA) where: Base-Base interactions energy: -59.163 where: short stacking energy: -24.255 Base-Backbone interact. energy: -0.002 local terms energy: -25.771620 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: 0.424 tors. eta vs tors. theta energy: -5.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -53.012506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.012506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.012506 (E_RNA) where: Base-Base interactions energy: -22.861 where: short stacking energy: -19.513 Base-Backbone interact. energy: -0.573 local terms energy: -29.578683 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.238 flat angles P-C4'-P energy: -2.707 tors. eta vs tors. theta energy: -7.342 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: 1 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -84.476502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.476502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.476502 (E_RNA) where: Base-Base interactions energy: -63.016 where: short stacking energy: -24.217 Base-Backbone interact. energy: -0.026 local terms energy: -21.434910 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -2.535 flat angles P-C4'-P energy: -0.186 tors. eta vs tors. theta energy: -4.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -50.258629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.258629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.258629 (E_RNA) where: Base-Base interactions energy: -19.357 where: short stacking energy: -19.357 Base-Backbone interact. energy: -0.000 local terms energy: -30.901838 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -5.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -52.981426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.981426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.981426 (E_RNA) where: Base-Base interactions energy: -21.794 where: short stacking energy: -21.794 Base-Backbone interact. energy: -0.000 local terms energy: -31.187137 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -5.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -51.778940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.778940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.778940 (E_RNA) where: Base-Base interactions energy: -25.805 where: short stacking energy: -25.805 Base-Backbone interact. energy: -0.000 local terms energy: -25.974261 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.401 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -5.326 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -42.922251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.922251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.922251 (E_RNA) where: Base-Base interactions energy: -18.198 where: short stacking energy: -12.276 Base-Backbone interact. energy: 0.464 local terms energy: -25.187675 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -2.962 tors. eta vs tors. theta energy: -1.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -40.242150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.242150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.242150 (E_RNA) where: Base-Base interactions energy: -20.349 where: short stacking energy: -12.711 Base-Backbone interact. energy: -0.211 local terms energy: -19.682254 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -4.239 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -2.775 tors. eta vs tors. theta energy: -2.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -35.552040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.552040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.552040 (E_RNA) where: Base-Base interactions energy: -17.714 where: short stacking energy: -17.714 Base-Backbone interact. energy: -0.001 local terms energy: -17.836841 where: bonds (distance) C4'-P energy: -4.776 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -0.761 flat angles P-C4'-P energy: -2.350 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -87.103255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.103255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.103255 (E_RNA) where: Base-Base interactions energy: -60.198 where: short stacking energy: -23.533 Base-Backbone interact. energy: -0.036 local terms energy: -26.868788 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -0.783 tors. eta vs tors. theta energy: -5.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -81.701113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.701113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.701113 (E_RNA) where: Base-Base interactions energy: -53.294 where: short stacking energy: -22.073 Base-Backbone interact. energy: -0.004 local terms energy: -28.403620 where: bonds (distance) C4'-P energy: -6.220 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -5.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -93.700518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.700518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.700518 (E_RNA) where: Base-Base interactions energy: -70.994 where: short stacking energy: -27.214 Base-Backbone interact. energy: -0.005 local terms energy: -22.701068 where: bonds (distance) C4'-P energy: -6.000 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: 2.321 tors. eta vs tors. theta energy: -5.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -74.089324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.089324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.089324 (E_RNA) where: Base-Base interactions energy: -50.999 where: short stacking energy: -19.527 Base-Backbone interact. energy: -0.000 local terms energy: -23.090372 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.749 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -2.118 tors. eta vs tors. theta energy: -4.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -44.590104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.590104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.590104 (E_RNA) where: Base-Base interactions energy: -19.234 where: short stacking energy: -19.234 Base-Backbone interact. energy: -0.000 local terms energy: -25.355807 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -5.219 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: -2.236 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: 2 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -45.394184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.394184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.394184 (E_RNA) where: Base-Base interactions energy: -19.834 where: short stacking energy: -21.234 Base-Backbone interact. energy: -0.002 local terms energy: -25.557945 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -2.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -56.613576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.613576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.613576 (E_RNA) where: Base-Base interactions energy: -31.790 where: short stacking energy: -14.037 Base-Backbone interact. energy: -0.186 local terms energy: -24.637681 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -2.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -48.658600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.658600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.658600 (E_RNA) where: Base-Base interactions energy: -23.325 where: short stacking energy: -13.059 Base-Backbone interact. energy: 0.570 local terms energy: -25.903514 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -45.309266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.309266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.309266 (E_RNA) where: Base-Base interactions energy: -29.917 where: short stacking energy: -19.514 Base-Backbone interact. energy: 0.830 local terms energy: -16.222249 where: bonds (distance) C4'-P energy: -4.130 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -2.919 flat angles P-C4'-P energy: -1.900 tors. eta vs tors. theta energy: -1.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -41.172036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.172036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.172036 (E_RNA) where: Base-Base interactions energy: -23.019 where: short stacking energy: -12.114 Base-Backbone interact. energy: -0.127 local terms energy: -18.025476 where: bonds (distance) C4'-P energy: -3.844 bonds (distance) P-C4' energy: -5.459 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: -1.781 tors. eta vs tors. theta energy: -0.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -83.596259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.596259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.596259 (E_RNA) where: Base-Base interactions energy: -55.988 where: short stacking energy: -23.678 Base-Backbone interact. energy: -0.001 local terms energy: -27.607046 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: -3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -97.156873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.156873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.156873 (E_RNA) where: Base-Base interactions energy: -75.695 where: short stacking energy: -30.669 Base-Backbone interact. energy: -0.002 local terms energy: -21.460152 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: 1.742 tors. eta vs tors. theta energy: -4.544 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: 10 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -78.458388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.458388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.458388 (E_RNA) where: Base-Base interactions energy: -52.217 where: short stacking energy: -21.053 Base-Backbone interact. energy: -0.001 local terms energy: -26.240933 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.581 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -2.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -53.480926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.480926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.480926 (E_RNA) where: Base-Base interactions energy: -28.293 where: short stacking energy: -27.492 Base-Backbone interact. energy: -0.001 local terms energy: -25.187070 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -2.719 tors. eta vs tors. theta energy: -5.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -75.720898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.720898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.720898 (E_RNA) where: Base-Base interactions energy: -47.539 where: short stacking energy: -22.012 Base-Backbone interact. energy: -0.000 local terms energy: -28.182305 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -4.387 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: 6, replica: 4 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -52.284786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.284786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.284786 (E_RNA) where: Base-Base interactions energy: -28.369 where: short stacking energy: -21.958 Base-Backbone interact. energy: -0.092 local terms energy: -23.823649 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -3.838 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -3.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -48.605786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.605786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.605786 (E_RNA) where: Base-Base interactions energy: -24.415 where: short stacking energy: -24.415 Base-Backbone interact. energy: -0.000 local terms energy: -24.190512 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -1.660 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: 3 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -43.518024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.518024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.518024 (E_RNA) where: Base-Base interactions energy: -23.786 where: short stacking energy: -16.040 Base-Backbone interact. energy: -0.007 local terms energy: -19.725100 where: bonds (distance) C4'-P energy: -4.718 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -2.436 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -3.328 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: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -45.528736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.528736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.528736 (E_RNA) where: Base-Base interactions energy: -23.354 where: short stacking energy: -23.354 Base-Backbone interact. energy: -0.002 local terms energy: -22.172713 where: bonds (distance) C4'-P energy: -5.028 bonds (distance) P-C4' energy: -3.681 flat angles C4'-P-C4' energy: -4.331 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -38.738443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.738443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.738443 (E_RNA) where: Base-Base interactions energy: -16.955 where: short stacking energy: -16.955 Base-Backbone interact. energy: 0.410 local terms energy: -22.193935 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: -0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -94.748466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.748466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.748466 (E_RNA) where: Base-Base interactions energy: -71.220 where: short stacking energy: -28.764 Base-Backbone interact. energy: -0.214 local terms energy: -23.314851 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: 2.401 tors. eta vs tors. theta energy: -5.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -84.879750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.879750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.879750 (E_RNA) where: Base-Base interactions energy: -59.256 where: short stacking energy: -21.824 Base-Backbone interact. energy: -0.001 local terms energy: -25.622897 where: bonds (distance) C4'-P energy: -5.546 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -1.931 tors. eta vs tors. theta energy: -4.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -58.397108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.397108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.397108 (E_RNA) where: Base-Base interactions energy: -25.699 where: short stacking energy: -25.699 Base-Backbone interact. energy: -0.038 local terms energy: -32.660728 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -5.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -83.095098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.095098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.095098 (E_RNA) where: Base-Base interactions energy: -59.080 where: short stacking energy: -24.299 Base-Backbone interact. energy: -0.002 local terms energy: -24.012509 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -1.928 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -58.227613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.227613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.227613 (E_RNA) where: Base-Base interactions energy: -32.697 where: short stacking energy: -12.811 Base-Backbone interact. energy: 0.049 local terms energy: -25.580031 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -48.058450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.058450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.058450 (E_RNA) where: Base-Base interactions energy: -22.362 where: short stacking energy: -17.464 Base-Backbone interact. energy: -0.003 local terms energy: -25.693743 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -0.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -41.064221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.064221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.064221 (E_RNA) where: Base-Base interactions energy: -16.192 where: short stacking energy: -16.192 Base-Backbone interact. energy: -0.018 local terms energy: -24.854597 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -41.235409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.235409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.235409 (E_RNA) where: Base-Base interactions energy: -19.167 where: short stacking energy: -19.167 Base-Backbone interact. energy: -0.000 local terms energy: -22.067745 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -2.787 flat angles P-C4'-P energy: -1.885 tors. eta vs tors. theta energy: -4.495 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: 5 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -41.403083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.403083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.403083 (E_RNA) where: Base-Base interactions energy: -16.558 where: short stacking energy: -16.558 Base-Backbone interact. energy: -0.001 local terms energy: -24.844515 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.123 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -2.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -38.999985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.999985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.999985 (E_RNA) where: Base-Base interactions energy: -15.298 where: short stacking energy: -14.829 Base-Backbone interact. energy: -0.045 local terms energy: -23.657278 where: bonds (distance) C4'-P energy: -2.492 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -4.824 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: 1, replica: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -95.098800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.098800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.098800 (E_RNA) where: Base-Base interactions energy: -73.493 where: short stacking energy: -28.094 Base-Backbone interact. energy: 0.790 local terms energy: -22.395083 where: bonds (distance) C4'-P energy: -5.471 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: 1.866 tors. eta vs tors. theta energy: -5.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -84.680210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.680210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.680210 (E_RNA) where: Base-Base interactions energy: -56.453 where: short stacking energy: -23.157 Base-Backbone interact. energy: -0.000 local terms energy: -28.227468 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -3.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -63.952908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.952908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.952908 (E_RNA) where: Base-Base interactions energy: -31.808 where: short stacking energy: -31.808 Base-Backbone interact. energy: -0.000 local terms energy: -32.145265 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.361 flat angles P-C4'-P energy: -4.661 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: 4, replica: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -58.716253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.716253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.716253 (E_RNA) where: Base-Base interactions energy: -35.405 where: short stacking energy: -17.132 Base-Backbone interact. energy: -0.059 local terms energy: -23.252396 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -0.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -78.809494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.809494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.809494 (E_RNA) where: Base-Base interactions energy: -51.272 where: short stacking energy: -19.819 Base-Backbone interact. energy: -0.367 local terms energy: -27.170372 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: -4.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -46.286576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.286576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.286576 (E_RNA) where: Base-Base interactions energy: -19.562 where: short stacking energy: -19.562 Base-Backbone interact. energy: 0.194 local terms energy: -26.918360 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -4.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -46.370197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.370197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.370197 (E_RNA) where: Base-Base interactions energy: -19.145 where: short stacking energy: -19.145 Base-Backbone interact. energy: -0.073 local terms energy: -27.152760 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -3.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -43.929400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.929400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.929400 (E_RNA) where: Base-Base interactions energy: -15.973 where: short stacking energy: -15.973 Base-Backbone interact. energy: -0.080 local terms energy: -27.876736 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.267 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -3.800 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: 2 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -51.547974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.547974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.547974 (E_RNA) where: Base-Base interactions energy: -29.177 where: short stacking energy: -29.177 Base-Backbone interact. energy: -0.000 local terms energy: -22.371017 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.035 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -2.168 tors. eta vs tors. theta energy: -6.768 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: 9 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -46.720523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.720523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.720523 (E_RNA) where: Base-Base interactions energy: -23.271 where: short stacking energy: -14.310 Base-Backbone interact. energy: -0.009 local terms energy: -23.441143 where: bonds (distance) C4'-P energy: -3.106 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -4.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -83.287757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.287757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.287757 (E_RNA) where: Base-Base interactions energy: -59.241 where: short stacking energy: -23.678 Base-Backbone interact. energy: -0.000 local terms energy: -24.046666 where: bonds (distance) C4'-P energy: -4.602 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -3.382 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: 2, replica: 1 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -86.360748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.360748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.360748 (E_RNA) where: Base-Base interactions energy: -70.094 where: short stacking energy: -28.156 Base-Backbone interact. energy: -0.046 local terms energy: -16.220888 where: bonds (distance) C4'-P energy: -4.829 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.571 flat angles P-C4'-P energy: 3.904 tors. eta vs tors. theta energy: -4.187 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: 3, replica: 8 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -57.482607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.482607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.482607 (E_RNA) where: Base-Base interactions energy: -28.287 where: short stacking energy: -28.287 Base-Backbone interact. energy: -0.000 local terms energy: -29.194897 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -4.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -51.585526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.585526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.585526 (E_RNA) where: Base-Base interactions energy: -25.748 where: short stacking energy: -25.748 Base-Backbone interact. energy: -0.001 local terms energy: -25.836950 where: bonds (distance) C4'-P energy: -4.652 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: -2.951 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: 10 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -86.473024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.473024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.473024 (E_RNA) where: Base-Base interactions energy: -63.545 where: short stacking energy: -24.660 Base-Backbone interact. energy: -0.001 local terms energy: -22.926962 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: 1.287 tors. eta vs tors. theta energy: -5.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -48.096046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.096046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.096046 (E_RNA) where: Base-Base interactions energy: -20.862 where: short stacking energy: -20.862 Base-Backbone interact. energy: -0.000 local terms energy: -27.233480 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -5.721 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: 5 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -50.202736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.202736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.202736 (E_RNA) where: Base-Base interactions energy: -25.735 where: short stacking energy: -15.493 Base-Backbone interact. energy: -0.284 local terms energy: -24.184082 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -2.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -48.473071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.473071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.473071 (E_RNA) where: Base-Base interactions energy: -22.060 where: short stacking energy: -22.060 Base-Backbone interact. energy: -0.000 local terms energy: -26.413437 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -5.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -39.770803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.770803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.770803 (E_RNA) where: Base-Base interactions energy: -21.879 where: short stacking energy: -21.879 Base-Backbone interact. energy: -0.000 local terms energy: -17.891366 where: bonds (distance) C4'-P energy: -0.769 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -0.702 tors. eta vs tors. theta energy: -4.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -41.465819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.465819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.465819 (E_RNA) where: Base-Base interactions energy: -18.595 where: short stacking energy: -18.595 Base-Backbone interact. energy: -0.069 local terms energy: -22.801798 where: bonds (distance) C4'-P energy: -3.865 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: 0.198 tors. eta vs tors. theta energy: -6.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -87.181184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.181184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.181184 (E_RNA) where: Base-Base interactions energy: -63.336 where: short stacking energy: -25.349 Base-Backbone interact. energy: 0.234 local terms energy: -24.078751 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -4.790 flat angles P-C4'-P energy: -1.622 tors. eta vs tors. theta energy: -6.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -88.613557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.613557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.613557 (E_RNA) where: Base-Base interactions energy: -61.836 where: short stacking energy: -26.027 Base-Backbone interact. energy: -0.001 local terms energy: -26.776057 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -2.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -54.363452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.363452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.363452 (E_RNA) where: Base-Base interactions energy: -29.352 where: short stacking energy: -29.352 Base-Backbone interact. energy: -0.000 local terms energy: -25.011637 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.827 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: 0.113 tors. eta vs tors. theta energy: -6.003 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: 10 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -88.405625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.405625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.405625 (E_RNA) where: Base-Base interactions energy: -62.188 where: short stacking energy: -24.501 Base-Backbone interact. energy: -0.000 local terms energy: -26.217433 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -2.382 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -59.762060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.762060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.762060 (E_RNA) where: Base-Base interactions energy: -35.431 where: short stacking energy: -21.451 Base-Backbone interact. energy: -0.000 local terms energy: -24.330601 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -5.581 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -2.132 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -51.214951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.214951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.214951 (E_RNA) where: Base-Base interactions energy: -21.522 where: short stacking energy: -21.522 Base-Backbone interact. energy: -0.000 local terms energy: -29.692902 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -4.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -47.078307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.078307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.078307 (E_RNA) where: Base-Base interactions energy: -21.267 where: short stacking energy: -21.267 Base-Backbone interact. energy: -0.072 local terms energy: -25.739056 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -4.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -57.986134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.986134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.986134 (E_RNA) where: Base-Base interactions energy: -27.284 where: short stacking energy: -27.284 Base-Backbone interact. energy: -0.000 local terms energy: -30.701694 where: bonds (distance) C4'-P energy: -4.064 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -5.722 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: 9, replica: 2 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -39.424303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.424303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.424303 (E_RNA) where: Base-Base interactions energy: -15.424 where: short stacking energy: -15.178 Base-Backbone interact. energy: -0.002 local terms energy: -23.998416 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -2.138 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -3.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -43.194058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.194058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.194058 (E_RNA) where: Base-Base interactions energy: -21.004 where: short stacking energy: -20.014 Base-Backbone interact. energy: -0.274 local terms energy: -21.915827 where: bonds (distance) C4'-P energy: -2.759 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -2.560 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -86.210638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.210638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.210638 (E_RNA) where: Base-Base interactions energy: -61.408 where: short stacking energy: -26.567 Base-Backbone interact. energy: -0.004 local terms energy: -24.798260 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: 0.231 tors. eta vs tors. theta energy: -5.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -85.100161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.100161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.100161 (E_RNA) where: Base-Base interactions energy: -57.828 where: short stacking energy: -27.870 Base-Backbone interact. energy: -0.001 local terms energy: -27.270574 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -3.436 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: 10 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -77.809122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.809122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.809122 (E_RNA) where: Base-Base interactions energy: -50.683 where: short stacking energy: -20.955 Base-Backbone interact. energy: -0.018 local terms energy: -27.108522 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -4.951 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: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -49.767029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.767029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.767029 (E_RNA) where: Base-Base interactions energy: -25.955 where: short stacking energy: -25.955 Base-Backbone interact. energy: -0.003 local terms energy: -23.809627 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -2.138 flat angles P-C4'-P energy: -2.538 tors. eta vs tors. theta energy: -5.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -48.313963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.313963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.313963 (E_RNA) where: Base-Base interactions energy: -19.516 where: short stacking energy: -19.436 Base-Backbone interact. energy: -0.004 local terms energy: -28.794220 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -3.664 tors. eta vs tors. theta energy: -4.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -51.073086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.073086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.073086 (E_RNA) where: Base-Base interactions energy: -24.212 where: short stacking energy: -24.212 Base-Backbone interact. energy: -0.000 local terms energy: -26.860959 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -4.831 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: 4 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -46.342641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.342641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.342641 (E_RNA) where: Base-Base interactions energy: -23.655 where: short stacking energy: -16.267 Base-Backbone interact. energy: -0.167 local terms energy: -22.520417 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: 0.775 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: 3 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -45.324469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.324469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.324469 (E_RNA) where: Base-Base interactions energy: -21.756 where: short stacking energy: -21.756 Base-Backbone interact. energy: -0.000 local terms energy: -23.568542 where: bonds (distance) C4'-P energy: -4.391 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -2.379 tors. eta vs tors. theta energy: -4.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -43.703299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.703299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.703299 (E_RNA) where: Base-Base interactions energy: -16.674 where: short stacking energy: -16.674 Base-Backbone interact. energy: -0.010 local terms energy: -27.019747 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -4.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -40.016916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.016916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.016916 (E_RNA) where: Base-Base interactions energy: -15.343 where: short stacking energy: -15.343 Base-Backbone interact. energy: -0.000 local terms energy: -24.673446 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -1.438 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: 1, replica: 7 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -83.332995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.332995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.332995 (E_RNA) where: Base-Base interactions energy: -61.524 where: short stacking energy: -24.079 Base-Backbone interact. energy: -0.133 local terms energy: -21.675809 where: bonds (distance) C4'-P energy: -4.837 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -0.057 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -87.984037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.984037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.984037 (E_RNA) where: Base-Base interactions energy: -60.582 where: short stacking energy: -24.975 Base-Backbone interact. energy: -0.001 local terms energy: -27.400584 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -1.952 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: 10 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -83.514057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.514057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.514057 (E_RNA) where: Base-Base interactions energy: -54.133 where: short stacking energy: -22.857 Base-Backbone interact. energy: -0.232 local terms energy: -29.149170 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -4.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -44.944321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.944321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.944321 (E_RNA) where: Base-Base interactions energy: -21.396 where: short stacking energy: -21.396 Base-Backbone interact. energy: -0.124 local terms energy: -23.424661 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -4.731 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -2.457 tors. eta vs tors. theta energy: -3.289 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: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -63.731407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.731407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.731407 (E_RNA) where: Base-Base interactions energy: -39.651 where: short stacking energy: -13.908 Base-Backbone interact. energy: 0.230 local terms energy: -24.310863 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -0.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -47.027214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.027214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.027214 (E_RNA) where: Base-Base interactions energy: -23.163 where: short stacking energy: -14.806 Base-Backbone interact. energy: -0.000 local terms energy: -23.864108 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: 0.351 tors. eta vs tors. theta energy: -5.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -50.054461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.054461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.054461 (E_RNA) where: Base-Base interactions energy: -20.109 where: short stacking energy: -20.109 Base-Backbone interact. energy: -0.000 local terms energy: -29.944910 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -6.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -52.597250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.597250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.597250 (E_RNA) where: Base-Base interactions energy: -28.710 where: short stacking energy: -12.095 Base-Backbone interact. energy: -0.058 local terms energy: -23.829475 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: -0.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -41.786010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.786010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.786010 (E_RNA) where: Base-Base interactions energy: -19.149 where: short stacking energy: -19.149 Base-Backbone interact. energy: -0.000 local terms energy: -22.636914 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -3.834 flat angles P-C4'-P energy: -3.274 tors. eta vs tors. theta energy: -4.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -37.523796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.523796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.523796 (E_RNA) where: Base-Base interactions energy: -18.485 where: short stacking energy: -18.485 Base-Backbone interact. energy: -0.006 local terms energy: -19.032727 where: bonds (distance) C4'-P energy: -4.830 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -2.258 tors. eta vs tors. theta energy: -1.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -84.239742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.239742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.239742 (E_RNA) where: Base-Base interactions energy: -55.295 where: short stacking energy: -24.824 Base-Backbone interact. energy: -0.000 local terms energy: -28.944515 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -4.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -89.044695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.044695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.044695 (E_RNA) where: Base-Base interactions energy: -65.902 where: short stacking energy: -23.526 Base-Backbone interact. energy: -0.002 local terms energy: -23.139954 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -4.504 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -1.821 tors. eta vs tors. theta energy: -5.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -90.650298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.650298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.650298 (E_RNA) where: Base-Base interactions energy: -72.675 where: short stacking energy: -27.230 Base-Backbone interact. energy: -0.038 local terms energy: -17.937286 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -5.814 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: 0.700 tors. eta vs tors. theta energy: -3.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -61.551262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.551262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.551262 (E_RNA) where: Base-Base interactions energy: -26.902 where: short stacking energy: -26.902 Base-Backbone interact. energy: -0.000 local terms energy: -34.649680 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -9.147 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: 204 Temperature: 1.100000 Total energy: -66.350425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.350425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.350425 (E_RNA) where: Base-Base interactions energy: -41.239 where: short stacking energy: -16.261 Base-Backbone interact. energy: -0.026 local terms energy: -25.085909 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -5.160 tors. eta vs tors. theta energy: -1.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -45.328690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.328690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.328690 (E_RNA) where: Base-Base interactions energy: -20.886 where: short stacking energy: -20.886 Base-Backbone interact. energy: -0.000 local terms energy: -24.442878 where: bonds (distance) C4'-P energy: -4.511 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -3.713 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: 7, replica: 9 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -75.820227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.820227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.820227 (E_RNA) where: Base-Base interactions energy: -50.556 where: short stacking energy: -21.761 Base-Backbone interact. energy: -0.088 local terms energy: -25.176122 where: bonds (distance) C4'-P energy: -3.554 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -1.736 tors. eta vs tors. theta energy: -5.807 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: 5 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -51.309670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.309670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.309670 (E_RNA) where: Base-Base interactions energy: -20.315 where: short stacking energy: -20.315 Base-Backbone interact. energy: -0.000 local terms energy: -30.994920 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -7.314 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: 9, replica: 2 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -43.460183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.460183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.460183 (E_RNA) where: Base-Base interactions energy: -20.751 where: short stacking energy: -7.807 Base-Backbone interact. energy: -0.187 local terms energy: -22.522145 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -3.381 tors. eta vs tors. theta energy: 0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -41.897937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.897937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.897937 (E_RNA) where: Base-Base interactions energy: -21.846 where: short stacking energy: -14.495 Base-Backbone interact. energy: -0.014 local terms energy: -20.038086 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -1.072 tors. eta vs tors. theta energy: -1.339 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: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -86.722036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.722036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.722036 (E_RNA) where: Base-Base interactions energy: -60.623 where: short stacking energy: -21.105 Base-Backbone interact. energy: -0.005 local terms energy: -26.093979 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -3.696 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: 2, replica: 10 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -84.033820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.033820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.033820 (E_RNA) where: Base-Base interactions energy: -58.895 where: short stacking energy: -20.389 Base-Backbone interact. energy: -0.042 local terms energy: -25.097224 where: bonds (distance) C4'-P energy: -6.482 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -1.660 tors. eta vs tors. theta energy: -4.714 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: 7 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -91.850935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.850935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.850935 (E_RNA) where: Base-Base interactions energy: -69.004 where: short stacking energy: -25.151 Base-Backbone interact. energy: -0.072 local terms energy: -22.775015 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -0.917 tors. eta vs tors. theta energy: -3.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -56.816261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.816261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.816261 (E_RNA) where: Base-Base interactions energy: -25.554 where: short stacking energy: -25.554 Base-Backbone interact. energy: -0.000 local terms energy: -31.262286 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -5.715 tors. eta vs tors. theta energy: -5.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -51.747994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.747994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.747994 (E_RNA) where: Base-Base interactions energy: -25.782 where: short stacking energy: -25.626 Base-Backbone interact. energy: -0.025 local terms energy: -25.941163 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -3.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -75.173836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.173836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.173836 (E_RNA) where: Base-Base interactions energy: -48.116 where: short stacking energy: -16.337 Base-Backbone interact. energy: -0.012 local terms energy: -27.045765 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -3.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -45.145806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.145806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.145806 (E_RNA) where: Base-Base interactions energy: -24.646 where: short stacking energy: -15.600 Base-Backbone interact. energy: -0.124 local terms energy: -20.375583 where: bonds (distance) C4'-P energy: -3.791 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -2.732 tors. eta vs tors. theta energy: -0.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -74.726323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.726323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.726323 (E_RNA) where: Base-Base interactions energy: -48.696 where: short stacking energy: -22.155 Base-Backbone interact. energy: -0.003 local terms energy: -26.027615 where: bonds (distance) C4'-P energy: -4.519 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -4.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -45.098602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.098602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.098602 (E_RNA) where: Base-Base interactions energy: -15.030 where: short stacking energy: -15.030 Base-Backbone interact. energy: -0.000 local terms energy: -30.068212 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.906 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -5.590 tors. eta vs tors. theta energy: -4.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -36.209611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.209611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.209611 (E_RNA) where: Base-Base interactions energy: -9.662 where: short stacking energy: -9.662 Base-Backbone interact. energy: -0.100 local terms energy: -26.447177 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: -2.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -81.531796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.531796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.531796 (E_RNA) where: Base-Base interactions energy: -52.798 where: short stacking energy: -22.966 Base-Backbone interact. energy: -0.017 local terms energy: -28.716926 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -4.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -91.700704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.700704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.700704 (E_RNA) where: Base-Base interactions energy: -65.712 where: short stacking energy: -24.827 Base-Backbone interact. energy: -0.001 local terms energy: -25.988364 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.811 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -0.463 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: 3, replica: 7 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -90.940959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.940959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.940959 (E_RNA) where: Base-Base interactions energy: -67.662 where: short stacking energy: -25.610 Base-Backbone interact. energy: -0.032 local terms energy: -23.247379 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: 1.248 tors. eta vs tors. theta energy: -4.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -59.349338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.349338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.349338 (E_RNA) where: Base-Base interactions energy: -31.159 where: short stacking energy: -22.745 Base-Backbone interact. energy: -0.001 local terms energy: -28.189793 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.595 flat angles P-C4'-P energy: -4.462 tors. eta vs tors. theta energy: -2.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -83.900108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.900108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.900108 (E_RNA) where: Base-Base interactions energy: -61.195 where: short stacking energy: -22.603 Base-Backbone interact. energy: -0.002 local terms energy: -22.703400 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: 0.901 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -56.170969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.170969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.170969 (E_RNA) where: Base-Base interactions energy: -28.335 where: short stacking energy: -28.335 Base-Backbone interact. energy: -0.000 local terms energy: -27.835758 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.671 flat angles P-C4'-P energy: -0.917 tors. eta vs tors. theta energy: -5.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -47.020531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.020531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.020531 (E_RNA) where: Base-Base interactions energy: -21.711 where: short stacking energy: -13.554 Base-Backbone interact. energy: -0.091 local terms energy: -25.218118 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -1.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -42.532493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.532493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.532493 (E_RNA) where: Base-Base interactions energy: -19.116 where: short stacking energy: -19.116 Base-Backbone interact. energy: -0.010 local terms energy: -23.407034 where: bonds (distance) C4'-P energy: -5.579 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -1.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -46.523439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.523439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.523439 (E_RNA) where: Base-Base interactions energy: -25.267 where: short stacking energy: -17.354 Base-Backbone interact. energy: -0.044 local terms energy: -21.212772 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -0.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -39.055985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.055985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.055985 (E_RNA) where: Base-Base interactions energy: -17.824 where: short stacking energy: -16.459 Base-Backbone interact. energy: -0.020 local terms energy: -21.211781 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.929 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -0.461 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: 207 Temperature: 0.900000 Total energy: -83.105506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.105506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.105506 (E_RNA) where: Base-Base interactions energy: -56.617 where: short stacking energy: -22.432 Base-Backbone interact. energy: -0.000 local terms energy: -26.487816 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -1.811 tors. eta vs tors. theta energy: -4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -93.217644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.217644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.217644 (E_RNA) where: Base-Base interactions energy: -68.527 where: short stacking energy: -24.275 Base-Backbone interact. energy: -0.098 local terms energy: -24.592871 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: 0.204 tors. eta vs tors. theta energy: -5.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -84.180255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.180255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.180255 (E_RNA) where: Base-Base interactions energy: -60.850 where: short stacking energy: -25.059 Base-Backbone interact. energy: -0.104 local terms energy: -23.226159 where: bonds (distance) C4'-P energy: -5.579 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.494 flat angles P-C4'-P energy: -0.353 tors. eta vs tors. theta energy: -5.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -79.839993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.839993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.839993 (E_RNA) where: Base-Base interactions energy: -51.818 where: short stacking energy: -26.316 Base-Backbone interact. energy: -0.000 local terms energy: -28.021585 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -2.678 flat angles P-C4'-P energy: -5.188 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: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -50.221564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.221564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.221564 (E_RNA) where: Base-Base interactions energy: -22.506 where: short stacking energy: -19.564 Base-Backbone interact. energy: -0.056 local terms energy: -27.659662 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -6.786 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -4.079 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -49.715786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.715786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.715786 (E_RNA) where: Base-Base interactions energy: -26.712 where: short stacking energy: -10.396 Base-Backbone interact. energy: -0.167 local terms energy: -22.836146 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -2.860 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -49.294085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.294085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.294085 (E_RNA) where: Base-Base interactions energy: -20.769 where: short stacking energy: -20.769 Base-Backbone interact. energy: -0.015 local terms energy: -28.510510 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -4.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -40.640994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.640994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.640994 (E_RNA) where: Base-Base interactions energy: -19.429 where: short stacking energy: -19.429 Base-Backbone interact. energy: -0.096 local terms energy: -21.115986 where: bonds (distance) C4'-P energy: -2.163 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -70.137833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.137833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.137833 (E_RNA) where: Base-Base interactions energy: -47.842 where: short stacking energy: -19.037 Base-Backbone interact. energy: -0.017 local terms energy: -22.279778 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -1.957 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -1.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -43.699593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.699593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.699593 (E_RNA) where: Base-Base interactions energy: -23.627 where: short stacking energy: -23.627 Base-Backbone interact. energy: -0.000 local terms energy: -20.072618 where: bonds (distance) C4'-P energy: -2.006 bonds (distance) P-C4' energy: -3.307 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -5.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -92.642714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.642714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.642714 (E_RNA) where: Base-Base interactions energy: -67.863 where: short stacking energy: -26.727 Base-Backbone interact. energy: -0.024 local terms energy: -24.756110 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -1.339 tors. eta vs tors. theta energy: -5.498 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: 2, replica: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -80.650227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.650227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.650227 (E_RNA) where: Base-Base interactions energy: -54.462 where: short stacking energy: -23.217 Base-Backbone interact. energy: -0.007 local terms energy: -26.181079 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -3.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -79.912013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.912013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.912013 (E_RNA) where: Base-Base interactions energy: -52.474 where: short stacking energy: -23.454 Base-Backbone interact. energy: -0.001 local terms energy: -27.437525 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -2.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -82.630664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.630664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.630664 (E_RNA) where: Base-Base interactions energy: -58.787 where: short stacking energy: -22.850 Base-Backbone interact. energy: -0.092 local terms energy: -23.752133 where: bonds (distance) C4'-P energy: -4.942 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -0.880 tors. eta vs tors. theta energy: -4.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -45.336440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.336440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.336440 (E_RNA) where: Base-Base interactions energy: -21.984 where: short stacking energy: -16.553 Base-Backbone interact. energy: -0.116 local terms energy: -23.236809 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -3.083 tors. eta vs tors. theta energy: 0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -48.139507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.139507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.139507 (E_RNA) where: Base-Base interactions energy: -22.785 where: short stacking energy: -17.850 Base-Backbone interact. energy: -0.001 local terms energy: -25.353064 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -2.558 tors. eta vs tors. theta energy: -2.884 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: 7, replica: 8 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -64.346943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.346943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.346943 (E_RNA) where: Base-Base interactions energy: -39.819 where: short stacking energy: -26.117 Base-Backbone interact. energy: -0.041 local terms energy: -24.486968 where: bonds (distance) C4'-P energy: -5.624 bonds (distance) P-C4' energy: -4.021 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -4.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -47.529281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.529281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.529281 (E_RNA) where: Base-Base interactions energy: -33.395 where: short stacking energy: -14.371 Base-Backbone interact. energy: -0.009 local terms energy: -14.125270 where: bonds (distance) C4'-P energy: -4.456 bonds (distance) P-C4' energy: -4.382 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -0.255 tors. eta vs tors. theta energy: 0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -56.250599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.250599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.250599 (E_RNA) where: Base-Base interactions energy: -28.868 where: short stacking energy: -28.868 Base-Backbone interact. energy: -0.000 local terms energy: -27.382862 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -5.011 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -2.017 tors. eta vs tors. theta energy: -8.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -61.631852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.631852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.631852 (E_RNA) where: Base-Base interactions energy: -40.992 where: short stacking energy: -16.337 Base-Backbone interact. energy: -0.008 local terms energy: -20.632806 where: bonds (distance) C4'-P energy: -2.188 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.756 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -3.720 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: 1, replica: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -90.330473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.330473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.330473 (E_RNA) where: Base-Base interactions energy: -68.331 where: short stacking energy: -27.192 Base-Backbone interact. energy: -0.019 local terms energy: -21.980580 where: bonds (distance) C4'-P energy: -5.794 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -0.310 tors. eta vs tors. theta energy: -3.505 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: 9 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -84.382046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.382046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.382046 (E_RNA) where: Base-Base interactions energy: -55.536 where: short stacking energy: -25.198 Base-Backbone interact. energy: -0.001 local terms energy: -28.845916 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.955 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -6.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -92.453595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.453595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.453595 (E_RNA) where: Base-Base interactions energy: -71.160 where: short stacking energy: -26.211 Base-Backbone interact. energy: -0.018 local terms energy: -21.275356 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: 0.357 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: 4, replica: 7 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -80.429052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.429052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.429052 (E_RNA) where: Base-Base interactions energy: -53.169 where: short stacking energy: -22.100 Base-Backbone interact. energy: -0.001 local terms energy: -27.259536 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -3.038 tors. eta vs tors. theta energy: -6.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -53.746662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.746662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.746662 (E_RNA) where: Base-Base interactions energy: -34.498 where: short stacking energy: -17.116 Base-Backbone interact. energy: -0.003 local terms energy: -19.245723 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -1.385 tors. eta vs tors. theta energy: -2.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -39.129139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.129139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.129139 (E_RNA) where: Base-Base interactions energy: -19.034 where: short stacking energy: -19.034 Base-Backbone interact. energy: -0.037 local terms energy: -20.058996 where: bonds (distance) C4'-P energy: -4.884 bonds (distance) P-C4' energy: -1.934 flat angles C4'-P-C4' energy: -6.636 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -1.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -48.467704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.467704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.467704 (E_RNA) where: Base-Base interactions energy: -25.569 where: short stacking energy: -25.569 Base-Backbone interact. energy: -0.001 local terms energy: -22.897487 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -1.712 tors. eta vs tors. theta energy: -3.534 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: 3 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -41.377326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.377326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.377326 (E_RNA) where: Base-Base interactions energy: -16.596 where: short stacking energy: -16.596 Base-Backbone interact. energy: -0.020 local terms energy: -24.761563 where: bonds (distance) C4'-P energy: -0.906 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.400 flat angles P-C4'-P energy: -5.604 tors. eta vs tors. theta energy: -6.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -45.548527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.548527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.548527 (E_RNA) where: Base-Base interactions energy: -21.279 where: short stacking energy: -20.825 Base-Backbone interact. energy: -0.005 local terms energy: -24.264765 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -4.717 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: 10, replica: 4 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -36.475751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.475751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.475751 (E_RNA) where: Base-Base interactions energy: -14.971 where: short stacking energy: -14.971 Base-Backbone interact. energy: -0.008 local terms energy: -21.497264 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -1.622 tors. eta vs tors. theta energy: -0.619 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: 9 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -86.470239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.470239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.470239 (E_RNA) where: Base-Base interactions energy: -63.784 where: short stacking energy: -24.094 Base-Backbone interact. energy: -0.130 local terms energy: -22.556247 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -5.989 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -0.894 tors. eta vs tors. theta energy: -4.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -92.136085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.136085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.136085 (E_RNA) where: Base-Base interactions energy: -67.644 where: short stacking energy: -26.343 Base-Backbone interact. energy: -0.327 local terms energy: -24.165081 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: 0.124 tors. eta vs tors. theta energy: -4.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -94.844404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.844404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.844404 (E_RNA) where: Base-Base interactions energy: -70.776 where: short stacking energy: -25.183 Base-Backbone interact. energy: -0.001 local terms energy: -24.067494 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -7.170 flat angles P-C4'-P energy: -0.648 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -77.332464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.332464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.332464 (E_RNA) where: Base-Base interactions energy: -52.447 where: short stacking energy: -22.134 Base-Backbone interact. energy: -0.039 local terms energy: -24.846545 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.743 flat angles P-C4'-P energy: -2.555 tors. eta vs tors. theta energy: -2.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -44.403757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.403757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.403757 (E_RNA) where: Base-Base interactions energy: -23.130 where: short stacking energy: -23.130 Base-Backbone interact. energy: -0.013 local terms energy: -21.261286 where: bonds (distance) C4'-P energy: -3.071 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.563 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -2.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -47.836571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.836571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.836571 (E_RNA) where: Base-Base interactions energy: -24.700 where: short stacking energy: -18.283 Base-Backbone interact. energy: -0.017 local terms energy: -23.120092 where: bonds (distance) C4'-P energy: -3.563 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -51.051757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.051757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.051757 (E_RNA) where: Base-Base interactions energy: -23.693 where: short stacking energy: -23.693 Base-Backbone interact. energy: -0.000 local terms energy: -27.358786 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -2.641 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: 8, replica: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -39.853679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.853679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.853679 (E_RNA) where: Base-Base interactions energy: -15.195 where: short stacking energy: -15.195 Base-Backbone interact. energy: -0.001 local terms energy: -24.658059 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.786 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -0.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -41.483786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.483786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.483786 (E_RNA) where: Base-Base interactions energy: -14.635 where: short stacking energy: -14.635 Base-Backbone interact. energy: -0.003 local terms energy: -26.846196 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -3.437 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: 5 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -49.598537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.598537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.598537 (E_RNA) where: Base-Base interactions energy: -23.543 where: short stacking energy: -23.543 Base-Backbone interact. energy: -0.002 local terms energy: -26.053187 where: bonds (distance) C4'-P energy: -4.519 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.814 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: -3.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -92.253270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.253270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.253270 (E_RNA) where: Base-Base interactions energy: -66.988 where: short stacking energy: -26.792 Base-Backbone interact. energy: -0.040 local terms energy: -25.225432 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -1.153 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -98.088941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.088941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.088941 (E_RNA) where: Base-Base interactions energy: -75.035 where: short stacking energy: -29.406 Base-Backbone interact. energy: -0.600 local terms energy: -22.453554 where: bonds (distance) C4'-P energy: -3.500 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -0.205 tors. eta vs tors. theta energy: -5.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -81.608797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.608797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.608797 (E_RNA) where: Base-Base interactions energy: -55.682 where: short stacking energy: -25.321 Base-Backbone interact. energy: -0.135 local terms energy: -25.791276 where: bonds (distance) C4'-P energy: -4.399 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -2.486 tors. eta vs tors. theta energy: -6.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -80.127799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.127799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.127799 (E_RNA) where: Base-Base interactions energy: -60.689 where: short stacking energy: -19.042 Base-Backbone interact. energy: -0.245 local terms energy: -19.194056 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -5.581 flat angles C4'-P-C4' energy: -5.477 flat angles P-C4'-P energy: 0.260 tors. eta vs tors. theta energy: -2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -80.234615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.234615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.234615 (E_RNA) where: Base-Base interactions energy: -57.717 where: short stacking energy: -25.554 Base-Backbone interact. energy: -0.000 local terms energy: -22.517261 where: bonds (distance) C4'-P energy: -2.018 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -4.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -47.721057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.721057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.721057 (E_RNA) where: Base-Base interactions energy: -20.213 where: short stacking energy: -20.213 Base-Backbone interact. energy: -0.000 local terms energy: -27.507619 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -3.255 tors. eta vs tors. theta energy: -4.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -40.735166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.735166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.735166 (E_RNA) where: Base-Base interactions energy: -20.182 where: short stacking energy: -10.761 Base-Backbone interact. energy: -0.184 local terms energy: -20.369423 where: bonds (distance) C4'-P energy: -5.147 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: 1.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -47.510156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.510156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.510156 (E_RNA) where: Base-Base interactions energy: -23.748 where: short stacking energy: -21.282 Base-Backbone interact. energy: -0.020 local terms energy: -23.742203 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -3.142 tors. eta vs tors. theta energy: -3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -42.285812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.285812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.285812 (E_RNA) where: Base-Base interactions energy: -17.562 where: short stacking energy: -12.078 Base-Backbone interact. energy: -0.078 local terms energy: -24.645661 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -1.283 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: 10, replica: 5 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -47.330934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.330934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.330934 (E_RNA) where: Base-Base interactions energy: -25.268 where: short stacking energy: -10.425 Base-Backbone interact. energy: -0.001 local terms energy: -22.061765 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -96.379672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.379672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.379672 (E_RNA) where: Base-Base interactions energy: -71.011 where: short stacking energy: -26.647 Base-Backbone interact. energy: -0.538 local terms energy: -24.831046 where: bonds (distance) C4'-P energy: -5.396 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -1.930 tors. eta vs tors. theta energy: -3.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -93.716216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.716216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.716216 (E_RNA) where: Base-Base interactions energy: -71.438 where: short stacking energy: -28.595 Base-Backbone interact. energy: -0.012 local terms energy: -22.266361 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: 2.569 tors. eta vs tors. theta energy: -6.037 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: 3, replica: 7 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -86.111038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.111038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.111038 (E_RNA) where: Base-Base interactions energy: -60.939 where: short stacking energy: -22.127 Base-Backbone interact. energy: -0.317 local terms energy: -24.855427 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.521 flat angles P-C4'-P energy: -3.195 tors. eta vs tors. theta energy: -5.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -82.883137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.883137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.883137 (E_RNA) where: Base-Base interactions energy: -66.587 where: short stacking energy: -24.175 Base-Backbone interact. energy: -0.103 local terms energy: -16.193248 where: bonds (distance) C4'-P energy: -3.360 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -2.878 flat angles P-C4'-P energy: 3.421 tors. eta vs tors. theta energy: -5.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -50.120314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.120314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.120314 (E_RNA) where: Base-Base interactions energy: -26.578 where: short stacking energy: -26.578 Base-Backbone interact. energy: -0.015 local terms energy: -23.527245 where: bonds (distance) C4'-P energy: -2.155 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -5.545 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: 8 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -80.024754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.024754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.024754 (E_RNA) where: Base-Base interactions energy: -56.581 where: short stacking energy: -17.424 Base-Backbone interact. energy: -0.027 local terms energy: -23.416760 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -0.381 tors. eta vs tors. theta energy: -4.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -43.446912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.446912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.446912 (E_RNA) where: Base-Base interactions energy: -17.934 where: short stacking energy: -17.934 Base-Backbone interact. energy: -0.018 local terms energy: -25.495487 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -3.005 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: 8, replica: 2 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -48.203670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.203670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.203670 (E_RNA) where: Base-Base interactions energy: -23.944 where: short stacking energy: -20.354 Base-Backbone interact. energy: -0.043 local terms energy: -24.217364 where: bonds (distance) C4'-P energy: -4.800 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -2.863 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: 9, replica: 5 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -40.300084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.300084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.300084 (E_RNA) where: Base-Base interactions energy: -17.290 where: short stacking energy: -17.290 Base-Backbone interact. energy: -0.044 local terms energy: -22.965842 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -7.517 flat angles P-C4'-P energy: -2.869 tors. eta vs tors. theta energy: -2.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -37.013850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.013850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.013850 (E_RNA) where: Base-Base interactions energy: -15.336 where: short stacking energy: -14.498 Base-Backbone interact. energy: -0.108 local terms energy: -21.570148 where: bonds (distance) C4'-P energy: -4.917 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.086 flat angles P-C4'-P energy: -0.954 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -97.314412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.314412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.314412 (E_RNA) where: Base-Base interactions energy: -73.752 where: short stacking energy: -26.571 Base-Backbone interact. energy: -0.005 local terms energy: -23.557399 where: bonds (distance) C4'-P energy: -4.684 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.523 flat angles P-C4'-P energy: -0.461 tors. eta vs tors. theta energy: -3.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -93.082947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.082947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.082947 (E_RNA) where: Base-Base interactions energy: -65.644 where: short stacking energy: -26.317 Base-Backbone interact. energy: -0.002 local terms energy: -27.436655 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -2.544 tors. eta vs tors. theta energy: -5.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -83.263683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.263683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.263683 (E_RNA) where: Base-Base interactions energy: -61.058 where: short stacking energy: -22.030 Base-Backbone interact. energy: -0.074 local terms energy: -22.132129 where: bonds (distance) C4'-P energy: -5.691 bonds (distance) P-C4' energy: -4.560 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: 0.073 tors. eta vs tors. theta energy: -5.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -84.155320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.155320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.155320 (E_RNA) where: Base-Base interactions energy: -59.137 where: short stacking energy: -24.573 Base-Backbone interact. energy: -0.022 local terms energy: -24.996076 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: 0.315 tors. eta vs tors. theta energy: -5.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -45.423139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.423139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.423139 (E_RNA) where: Base-Base interactions energy: -18.379 where: short stacking energy: -13.560 Base-Backbone interact. energy: -0.223 local terms energy: -26.821182 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -3.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -78.501061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.501061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.501061 (E_RNA) where: Base-Base interactions energy: -52.101 where: short stacking energy: -19.101 Base-Backbone interact. energy: -0.017 local terms energy: -26.383571 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -2.652 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: 7, replica: 4 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -56.533515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.533515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.533515 (E_RNA) where: Base-Base interactions energy: -34.667 where: short stacking energy: -20.557 Base-Backbone interact. energy: 1.843 local terms energy: -23.710134 where: bonds (distance) C4'-P energy: -5.607 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: -2.026 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: 8, replica: 5 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -46.762135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.762135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.762135 (E_RNA) where: Base-Base interactions energy: -18.142 where: short stacking energy: -18.142 Base-Backbone interact. energy: -0.000 local terms energy: -28.620538 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -5.372 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: 9, replica: 2 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -54.452785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.452785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.452785 (E_RNA) where: Base-Base interactions energy: -26.274 where: short stacking energy: -26.274 Base-Backbone interact. energy: -0.000 local terms energy: -28.178331 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -3.732 flat angles P-C4'-P energy: -3.087 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: 10, replica: 6 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -47.052443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.052443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.052443 (E_RNA) where: Base-Base interactions energy: -17.522 where: short stacking energy: -17.522 Base-Backbone interact. energy: -0.000 local terms energy: -29.530495 where: bonds (distance) C4'-P energy: -5.111 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -5.658 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: 10 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -96.553992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.553992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.553992 (E_RNA) where: Base-Base interactions energy: -72.443 where: short stacking energy: -26.958 Base-Backbone interact. energy: -0.003 local terms energy: -24.107862 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -1.541 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: 2, replica: 7 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -85.204461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.204461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.204461 (E_RNA) where: Base-Base interactions energy: -58.935 where: short stacking energy: -23.043 Base-Backbone interact. energy: -0.002 local terms energy: -26.267989 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -2.440 tors. eta vs tors. theta energy: -3.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -81.559852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.559852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.559852 (E_RNA) where: Base-Base interactions energy: -57.552 where: short stacking energy: -24.798 Base-Backbone interact. energy: -0.001 local terms energy: -24.006615 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -1.327 tors. eta vs tors. theta energy: -3.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -84.185175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.185175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.185175 (E_RNA) where: Base-Base interactions energy: -59.137 where: short stacking energy: -21.748 Base-Backbone interact. energy: -0.002 local terms energy: -25.046323 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -4.112 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -1.930 tors. eta vs tors. theta energy: -5.719 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: 5, replica: 8 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -77.045209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.045209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.045209 (E_RNA) where: Base-Base interactions energy: -49.619 where: short stacking energy: -19.719 Base-Backbone interact. energy: -0.021 local terms energy: -27.405251 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.901 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -4.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -40.307894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.307894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.307894 (E_RNA) where: Base-Base interactions energy: -15.593 where: short stacking energy: -15.593 Base-Backbone interact. energy: -0.022 local terms energy: -24.692744 where: bonds (distance) C4'-P energy: -5.359 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -3.989 tors. eta vs tors. theta energy: -3.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -41.225470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.225470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.225470 (E_RNA) where: Base-Base interactions energy: -20.744 where: short stacking energy: -20.744 Base-Backbone interact. energy: -0.069 local terms energy: -20.412382 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -0.216 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -40.053357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.053357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.053357 (E_RNA) where: Base-Base interactions energy: -15.812 where: short stacking energy: -12.516 Base-Backbone interact. energy: -0.001 local terms energy: -24.240313 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -4.069 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -3.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -47.448246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.448246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.448246 (E_RNA) where: Base-Base interactions energy: -20.068 where: short stacking energy: -20.068 Base-Backbone interact. energy: -0.097 local terms energy: -27.283223 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -4.181 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: 10, replica: 2 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -43.677365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.677365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.677365 (E_RNA) where: Base-Base interactions energy: -17.517 where: short stacking energy: -15.511 Base-Backbone interact. energy: -0.001 local terms energy: -26.159566 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -4.988 tors. eta vs tors. theta energy: -2.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -97.038357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.038357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.038357 (E_RNA) where: Base-Base interactions energy: -74.404 where: short stacking energy: -30.242 Base-Backbone interact. energy: -0.152 local terms energy: -22.482171 where: bonds (distance) C4'-P energy: -4.507 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.055 flat angles P-C4'-P energy: 0.820 tors. eta vs tors. theta energy: -4.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -82.265458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.265458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.265458 (E_RNA) where: Base-Base interactions energy: -52.173 where: short stacking energy: -23.748 Base-Backbone interact. energy: -0.580 local terms energy: -29.512161 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -5.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -84.138023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.138023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.138023 (E_RNA) where: Base-Base interactions energy: -60.445 where: short stacking energy: -24.075 Base-Backbone interact. energy: -0.000 local terms energy: -23.692708 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -2.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -82.013954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.013954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.013954 (E_RNA) where: Base-Base interactions energy: -55.485 where: short stacking energy: -22.115 Base-Backbone interact. energy: -0.000 local terms energy: -26.528868 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -1.981 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: 5, replica: 9 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -88.201492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.201492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.201492 (E_RNA) where: Base-Base interactions energy: -65.256 where: short stacking energy: -23.655 Base-Backbone interact. energy: -0.003 local terms energy: -22.942207 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -5.980 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -1.410 tors. eta vs tors. theta energy: -4.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -52.539492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.539492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.539492 (E_RNA) where: Base-Base interactions energy: -20.764 where: short stacking energy: -20.764 Base-Backbone interact. energy: -0.000 local terms energy: -31.775205 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -6.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -54.952044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.952044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.952044 (E_RNA) where: Base-Base interactions energy: -25.503 where: short stacking energy: -25.503 Base-Backbone interact. energy: -0.000 local terms energy: -29.448709 where: bonds (distance) C4'-P energy: -5.016 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -6.971 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: 8, replica: 6 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -61.114200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.114200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.114200 (E_RNA) where: Base-Base interactions energy: -37.048 where: short stacking energy: -15.643 Base-Backbone interact. energy: -0.000 local terms energy: -24.065647 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: -0.571 tors. eta vs tors. theta energy: -5.764 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: 4 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -42.669084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.669084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.669084 (E_RNA) where: Base-Base interactions energy: -17.319 where: short stacking energy: -17.319 Base-Backbone interact. energy: -0.026 local terms energy: -25.324318 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -4.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -40.899654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.899654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.899654 (E_RNA) where: Base-Base interactions energy: -13.406 where: short stacking energy: -13.406 Base-Backbone interact. energy: -0.000 local terms energy: -27.493191 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -2.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -95.105083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.105083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.105083 (E_RNA) where: Base-Base interactions energy: -71.366 where: short stacking energy: -25.375 Base-Backbone interact. energy: -0.036 local terms energy: -23.702656 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: 0.598 tors. eta vs tors. theta energy: -6.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -81.407431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.407431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.407431 (E_RNA) where: Base-Base interactions energy: -51.680 where: short stacking energy: -21.847 Base-Backbone interact. energy: -0.015 local terms energy: -29.711967 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.404 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -5.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -78.083720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.083720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.083720 (E_RNA) where: Base-Base interactions energy: -50.012 where: short stacking energy: -20.062 Base-Backbone interact. energy: -0.031 local terms energy: -28.040513 where: bonds (distance) C4'-P energy: -5.330 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -3.894 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: 7 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -77.743492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.743492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.743492 (E_RNA) where: Base-Base interactions energy: -63.952 where: short stacking energy: -22.196 Base-Backbone interact. energy: -0.011 local terms energy: -13.780270 where: bonds (distance) C4'-P energy: -5.616 bonds (distance) P-C4' energy: -3.424 flat angles C4'-P-C4' energy: 0.067 flat angles P-C4'-P energy: 0.078 tors. eta vs tors. theta energy: -4.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -79.942386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.942386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.942386 (E_RNA) where: Base-Base interactions energy: -53.318 where: short stacking energy: -27.203 Base-Backbone interact. energy: -0.000 local terms energy: -26.624349 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -4.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -39.272166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.272166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.272166 (E_RNA) where: Base-Base interactions energy: -15.724 where: short stacking energy: -15.724 Base-Backbone interact. energy: -0.102 local terms energy: -23.446102 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -3.105 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: 7, replica: 6 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -55.504718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.504718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.504718 (E_RNA) where: Base-Base interactions energy: -27.105 where: short stacking energy: -27.105 Base-Backbone interact. energy: -0.000 local terms energy: -28.399318 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -3.918 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -7.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -44.082646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.082646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.082646 (E_RNA) where: Base-Base interactions energy: -20.041 where: short stacking energy: -20.041 Base-Backbone interact. energy: -0.002 local terms energy: -24.039099 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -1.340 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: 216 Temperature: 1.300000 Total energy: -70.912519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.912519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.912519 (E_RNA) where: Base-Base interactions energy: -48.349 where: short stacking energy: -21.870 Base-Backbone interact. energy: -0.000 local terms energy: -22.562957 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -0.273 tors. eta vs tors. theta energy: -4.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -40.853759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.853759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.853759 (E_RNA) where: Base-Base interactions energy: -18.320 where: short stacking energy: -18.320 Base-Backbone interact. energy: -0.003 local terms energy: -22.530940 where: bonds (distance) C4'-P energy: -3.906 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -0.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -96.798400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.798400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.798400 (E_RNA) where: Base-Base interactions energy: -74.557 where: short stacking energy: -27.140 Base-Backbone interact. energy: -0.078 local terms energy: -22.163528 where: bonds (distance) C4'-P energy: -4.507 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.402 flat angles P-C4'-P energy: 0.061 tors. eta vs tors. theta energy: -5.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -82.550009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.550009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.550009 (E_RNA) where: Base-Base interactions energy: -55.924 where: short stacking energy: -16.467 Base-Backbone interact. energy: -0.059 local terms energy: -26.567173 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -5.441 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -2.351 tors. eta vs tors. theta energy: -4.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -76.839284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.839284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.839284 (E_RNA) where: Base-Base interactions energy: -50.438 where: short stacking energy: -20.448 Base-Backbone interact. energy: -0.042 local terms energy: -26.358921 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -5.767 tors. eta vs tors. theta energy: -2.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -79.454079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.454079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.454079 (E_RNA) where: Base-Base interactions energy: -53.145 where: short stacking energy: -21.004 Base-Backbone interact. energy: -0.017 local terms energy: -26.292037 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -4.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -83.289216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.289216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.289216 (E_RNA) where: Base-Base interactions energy: -53.013 where: short stacking energy: -18.101 Base-Backbone interact. energy: -0.001 local terms energy: -30.275080 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -6.388 flat angles P-C4'-P energy: -4.289 tors. eta vs tors. theta energy: -5.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -49.678686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.678686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.678686 (E_RNA) where: Base-Base interactions energy: -27.082 where: short stacking energy: -14.308 Base-Backbone interact. energy: -0.105 local terms energy: -22.491306 where: bonds (distance) C4'-P energy: -5.388 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -1.674 tors. eta vs tors. theta energy: -1.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -47.687938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.687938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.687938 (E_RNA) where: Base-Base interactions energy: -26.870 where: short stacking energy: -26.870 Base-Backbone interact. energy: -0.000 local terms energy: -20.818271 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -4.160 flat angles C4'-P-C4' energy: -3.706 flat angles P-C4'-P energy: -3.315 tors. eta vs tors. theta energy: -3.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -38.961170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.961170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.961170 (E_RNA) where: Base-Base interactions energy: -15.780 where: short stacking energy: -15.780 Base-Backbone interact. energy: -0.000 local terms energy: -23.180963 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -3.709 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -52.480055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.480055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.480055 (E_RNA) where: Base-Base interactions energy: -25.275 where: short stacking energy: -18.371 Base-Backbone interact. energy: -0.089 local terms energy: -27.115850 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: -4.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -40.007584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.007584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.007584 (E_RNA) where: Base-Base interactions energy: -18.008 where: short stacking energy: -13.025 Base-Backbone interact. energy: -0.002 local terms energy: -21.997673 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -5.649 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -2.407 tors. eta vs tors. theta energy: -1.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -86.600234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.600234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.600234 (E_RNA) where: Base-Base interactions energy: -60.060 where: short stacking energy: -24.463 Base-Backbone interact. energy: -0.415 local terms energy: -26.125210 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -1.136 tors. eta vs tors. theta energy: -5.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -96.817691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.817691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.817691 (E_RNA) where: Base-Base interactions energy: -74.378 where: short stacking energy: -27.088 Base-Backbone interact. energy: -0.160 local terms energy: -22.279851 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -5.756 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: 2.902 tors. eta vs tors. theta energy: -6.548 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: 3, replica: 9 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -83.466296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.466296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.466296 (E_RNA) where: Base-Base interactions energy: -51.235 where: short stacking energy: -22.071 Base-Backbone interact. energy: -0.003 local terms energy: -32.228629 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -6.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -88.269509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.269509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.269509 (E_RNA) where: Base-Base interactions energy: -64.451 where: short stacking energy: -21.269 Base-Backbone interact. energy: -0.001 local terms energy: -23.817896 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -0.380 tors. eta vs tors. theta energy: -4.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -79.198652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.198652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.198652 (E_RNA) where: Base-Base interactions energy: -52.639 where: short stacking energy: -27.368 Base-Backbone interact. energy: -0.000 local terms energy: -26.558950 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.308 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -6.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -53.232918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.232918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.232918 (E_RNA) where: Base-Base interactions energy: -28.633 where: short stacking energy: -18.113 Base-Backbone interact. energy: -0.096 local terms energy: -24.503788 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -2.785 tors. eta vs tors. theta energy: -2.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -45.306502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.306502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.306502 (E_RNA) where: Base-Base interactions energy: -22.536 where: short stacking energy: -21.701 Base-Backbone interact. energy: -0.000 local terms energy: -22.770146 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -3.329 flat angles P-C4'-P energy: -2.062 tors. eta vs tors. theta energy: -2.827 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: 5 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -45.972973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.972973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.972973 (E_RNA) where: Base-Base interactions energy: -22.262 where: short stacking energy: -22.262 Base-Backbone interact. energy: -0.018 local terms energy: -23.692947 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -3.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -35.702544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.702544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.702544 (E_RNA) where: Base-Base interactions energy: -14.161 where: short stacking energy: -14.161 Base-Backbone interact. energy: -0.002 local terms energy: -21.538759 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -1.346 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: 3 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -40.392194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.392194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.392194 (E_RNA) where: Base-Base interactions energy: -18.068 where: short stacking energy: -18.068 Base-Backbone interact. energy: -0.000 local terms energy: -22.323849 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -1.541 tors. eta vs tors. theta energy: -1.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -89.574733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.574733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.574733 (E_RNA) where: Base-Base interactions energy: -60.139 where: short stacking energy: -22.899 Base-Backbone interact. energy: -0.000 local terms energy: -29.435273 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -2.500 tors. eta vs tors. theta energy: -5.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -96.843138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.843138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.843138 (E_RNA) where: Base-Base interactions energy: -75.461 where: short stacking energy: -26.874 Base-Backbone interact. energy: -0.013 local terms energy: -21.368861 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -0.622 tors. eta vs tors. theta energy: -2.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -84.380945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.380945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.380945 (E_RNA) where: Base-Base interactions energy: -60.660 where: short stacking energy: -22.249 Base-Backbone interact. energy: -0.001 local terms energy: -23.720030 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -1.004 tors. eta vs tors. theta energy: -3.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -84.445007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.445007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.445007 (E_RNA) where: Base-Base interactions energy: -61.432 where: short stacking energy: -26.011 Base-Backbone interact. energy: -0.001 local terms energy: -23.012007 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.388 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -1.453 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: 5, replica: 8 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -83.596151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.596151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.596151 (E_RNA) where: Base-Base interactions energy: -65.861 where: short stacking energy: -23.045 Base-Backbone interact. energy: -0.001 local terms energy: -17.734037 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: 4.895 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -53.926981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.926981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.926981 (E_RNA) where: Base-Base interactions energy: -26.422 where: short stacking energy: -26.422 Base-Backbone interact. energy: -0.000 local terms energy: -27.505206 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -3.124 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -6.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -42.581188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.581188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.581188 (E_RNA) where: Base-Base interactions energy: -16.944 where: short stacking energy: -16.944 Base-Backbone interact. energy: -0.124 local terms energy: -25.513247 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -49.445522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.445522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.445522 (E_RNA) where: Base-Base interactions energy: -23.425 where: short stacking energy: -23.425 Base-Backbone interact. energy: -0.005 local terms energy: -26.015160 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -45.717402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.717402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.717402 (E_RNA) where: Base-Base interactions energy: -21.021 where: short stacking energy: -21.021 Base-Backbone interact. energy: -0.002 local terms energy: -24.693903 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -2.286 tors. eta vs tors. theta energy: -3.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -38.019258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.019258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.019258 (E_RNA) where: Base-Base interactions energy: -14.115 where: short stacking energy: -14.115 Base-Backbone interact. energy: -0.016 local terms energy: -23.887863 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -2.929 tors. eta vs tors. theta energy: -3.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -96.489692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.489692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.489692 (E_RNA) where: Base-Base interactions energy: -73.023 where: short stacking energy: -27.979 Base-Backbone interact. energy: -0.090 local terms energy: -23.376284 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: 0.917 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: 2, replica: 1 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -91.333365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.333365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.333365 (E_RNA) where: Base-Base interactions energy: -69.052 where: short stacking energy: -24.749 Base-Backbone interact. energy: -0.002 local terms energy: -22.279262 where: bonds (distance) C4'-P energy: -5.364 bonds (distance) P-C4' energy: -4.388 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: 0.967 tors. eta vs tors. theta energy: -7.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -85.120647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.120647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.120647 (E_RNA) where: Base-Base interactions energy: -63.700 where: short stacking energy: -23.713 Base-Backbone interact. energy: -0.568 local terms energy: -20.852417 where: bonds (distance) C4'-P energy: -4.522 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: 1.046 tors. eta vs tors. theta energy: -3.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -81.239654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.239654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.239654 (E_RNA) where: Base-Base interactions energy: -54.200 where: short stacking energy: -22.586 Base-Backbone interact. energy: -0.001 local terms energy: -27.039256 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -3.830 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: 5, replica: 8 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -75.808470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.808470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.808470 (E_RNA) where: Base-Base interactions energy: -51.518 where: short stacking energy: -19.933 Base-Backbone interact. energy: -0.001 local terms energy: -24.289252 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -1.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -59.950200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.950200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.950200 (E_RNA) where: Base-Base interactions energy: -36.961 where: short stacking energy: -21.663 Base-Backbone interact. energy: -0.669 local terms energy: -22.320650 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -2.052 tors. eta vs tors. theta energy: -3.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -47.311467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.311467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.311467 (E_RNA) where: Base-Base interactions energy: -23.306 where: short stacking energy: -23.306 Base-Backbone interact. energy: 0.027 local terms energy: -24.032132 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -2.862 tors. eta vs tors. theta energy: -4.893 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: 6 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -38.733906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.733906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.733906 (E_RNA) where: Base-Base interactions energy: -17.854 where: short stacking energy: -17.854 Base-Backbone interact. energy: -0.003 local terms energy: -20.877032 where: bonds (distance) C4'-P energy: -3.887 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -0.790 tors. eta vs tors. theta energy: -2.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -43.278970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.278970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.278970 (E_RNA) where: Base-Base interactions energy: -22.363 where: short stacking energy: -22.363 Base-Backbone interact. energy: -0.015 local terms energy: -20.900441 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.814 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -42.357852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.357852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.357852 (E_RNA) where: Base-Base interactions energy: -14.831 where: short stacking energy: -14.831 Base-Backbone interact. energy: -0.019 local terms energy: -27.508352 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -3.481 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: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -94.896046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.896046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.896046 (E_RNA) where: Base-Base interactions energy: -71.175 where: short stacking energy: -28.128 Base-Backbone interact. energy: -0.090 local terms energy: -23.631044 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.646 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -0.740 tors. eta vs tors. theta energy: -4.972 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: 221 Temperature: 0.950000 Total energy: -85.803589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.803589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.803589 (E_RNA) where: Base-Base interactions energy: -60.513 where: short stacking energy: -20.514 Base-Backbone interact. energy: -0.234 local terms energy: -25.056449 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -0.701 tors. eta vs tors. theta energy: -4.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -88.387430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.387430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.387430 (E_RNA) where: Base-Base interactions energy: -64.505 where: short stacking energy: -24.229 Base-Backbone interact. energy: -0.006 local terms energy: -23.876036 where: bonds (distance) C4'-P energy: -4.313 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -2.193 tors. eta vs tors. theta energy: -5.629 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: 8 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -88.390132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.390132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.390132 (E_RNA) where: Base-Base interactions energy: -63.625 where: short stacking energy: -24.516 Base-Backbone interact. energy: -0.042 local terms energy: -24.724013 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -1.416 tors. eta vs tors. theta energy: -4.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -83.641092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.641092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.641092 (E_RNA) where: Base-Base interactions energy: -63.312 where: short stacking energy: -23.473 Base-Backbone interact. energy: -0.042 local terms energy: -20.286691 where: bonds (distance) C4'-P energy: -5.773 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: 2.674 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -48.931796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.931796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.931796 (E_RNA) where: Base-Base interactions energy: -22.253 where: short stacking energy: -16.562 Base-Backbone interact. energy: -0.045 local terms energy: -26.633663 where: bonds (distance) C4'-P energy: -5.856 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -5.326 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: 4 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -48.527435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.527435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.527435 (E_RNA) where: Base-Base interactions energy: -20.072 where: short stacking energy: -20.072 Base-Backbone interact. energy: -0.000 local terms energy: -28.455213 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: -4.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -47.241496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.241496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.241496 (E_RNA) where: Base-Base interactions energy: -22.095 where: short stacking energy: -22.095 Base-Backbone interact. energy: -0.140 local terms energy: -25.006504 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -4.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -36.755423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.755423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.755423 (E_RNA) where: Base-Base interactions energy: -14.144 where: short stacking energy: -14.144 Base-Backbone interact. energy: -0.100 local terms energy: -22.511575 where: bonds (distance) C4'-P energy: -3.695 bonds (distance) P-C4' energy: -6.505 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -1.801 tors. eta vs tors. theta energy: -5.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -43.071984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.071984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.071984 (E_RNA) where: Base-Base interactions energy: -24.625 where: short stacking energy: -13.185 Base-Backbone interact. energy: -0.189 local terms energy: -18.258139 where: bonds (distance) C4'-P energy: -5.471 bonds (distance) P-C4' energy: -5.185 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -3.090 tors. eta vs tors. theta energy: 0.226 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: 7 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -92.419885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.419885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.419885 (E_RNA) where: Base-Base interactions energy: -66.042 where: short stacking energy: -24.167 Base-Backbone interact. energy: -0.383 local terms energy: -25.994805 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -1.829 tors. eta vs tors. theta energy: -4.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -93.851625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.851625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.851625 (E_RNA) where: Base-Base interactions energy: -68.925 where: short stacking energy: -24.097 Base-Backbone interact. energy: -0.003 local terms energy: -24.923698 where: bonds (distance) C4'-P energy: -5.749 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -1.661 tors. eta vs tors. theta energy: -3.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -80.748933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.748933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.748933 (E_RNA) where: Base-Base interactions energy: -58.361 where: short stacking energy: -20.619 Base-Backbone interact. energy: -0.617 local terms energy: -21.770810 where: bonds (distance) C4'-P energy: -4.812 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -1.324 tors. eta vs tors. theta energy: -4.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -87.872557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.872557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.872557 (E_RNA) where: Base-Base interactions energy: -65.864 where: short stacking energy: -25.786 Base-Backbone interact. energy: -0.041 local terms energy: -21.967701 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -4.053 flat angles P-C4'-P energy: 1.147 tors. eta vs tors. theta energy: -5.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -87.401204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.401204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.401204 (E_RNA) where: Base-Base interactions energy: -69.383 where: short stacking energy: -24.776 Base-Backbone interact. energy: -0.001 local terms energy: -18.017996 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -4.737 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: 1.589 tors. eta vs tors. theta energy: -2.792 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: 2 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -47.015782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.015782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.015782 (E_RNA) where: Base-Base interactions energy: -27.973 where: short stacking energy: -15.588 Base-Backbone interact. energy: 1.790 local terms energy: -20.833238 where: bonds (distance) C4'-P energy: -2.937 bonds (distance) P-C4' energy: -5.421 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -1.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -52.175562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.175562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.175562 (E_RNA) where: Base-Base interactions energy: -24.865 where: short stacking energy: -24.865 Base-Backbone interact. energy: -0.007 local terms energy: -27.303928 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -5.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -42.823380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.823380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.823380 (E_RNA) where: Base-Base interactions energy: -22.483 where: short stacking energy: -22.483 Base-Backbone interact. energy: -0.141 local terms energy: -20.199243 where: bonds (distance) C4'-P energy: -4.457 bonds (distance) P-C4' energy: -4.927 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -0.321 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -45.304660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.304660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.304660 (E_RNA) where: Base-Base interactions energy: -17.490 where: short stacking energy: -17.490 Base-Backbone interact. energy: -0.000 local terms energy: -27.814628 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: -4.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -37.849871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.849871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.849871 (E_RNA) where: Base-Base interactions energy: -19.801 where: short stacking energy: -13.392 Base-Backbone interact. energy: -0.113 local terms energy: -17.935653 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: 0.749 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: 7 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -88.597876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.597876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.597876 (E_RNA) where: Base-Base interactions energy: -65.598 where: short stacking energy: -24.519 Base-Backbone interact. energy: -0.053 local terms energy: -22.946856 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: 0.837 tors. eta vs tors. theta energy: -5.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -89.066298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.066298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.066298 (E_RNA) where: Base-Base interactions energy: -64.482 where: short stacking energy: -24.887 Base-Backbone interact. energy: -0.008 local terms energy: -24.575877 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.353 flat angles P-C4'-P energy: 0.699 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: 3, replica: 10 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -97.124189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.124189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.124189 (E_RNA) where: Base-Base interactions energy: -71.822 where: short stacking energy: -26.526 Base-Backbone interact. energy: -0.021 local terms energy: -25.281769 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -0.070 tors. eta vs tors. theta energy: -4.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -78.428585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.428585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.428585 (E_RNA) where: Base-Base interactions energy: -56.168 where: short stacking energy: -21.506 Base-Backbone interact. energy: -0.001 local terms energy: -22.259855 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.003 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -2.720 tors. eta vs tors. theta energy: -2.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -90.098803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.098803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.098803 (E_RNA) where: Base-Base interactions energy: -70.894 where: short stacking energy: -26.555 Base-Backbone interact. energy: -0.023 local terms energy: -19.181751 where: bonds (distance) C4'-P energy: -4.205 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -1.256 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -46.779337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.779337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.779337 (E_RNA) where: Base-Base interactions energy: -18.985 where: short stacking energy: -18.985 Base-Backbone interact. energy: -0.000 local terms energy: -27.793738 where: bonds (distance) C4'-P energy: -5.587 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -5.582 tors. eta vs tors. theta energy: -4.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -48.481101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.481101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.481101 (E_RNA) where: Base-Base interactions energy: -21.909 where: short stacking energy: -21.909 Base-Backbone interact. energy: -0.000 local terms energy: -26.572214 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -4.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -46.168344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.168344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.168344 (E_RNA) where: Base-Base interactions energy: -21.013 where: short stacking energy: -14.704 Base-Backbone interact. energy: -0.104 local terms energy: -25.051140 where: bonds (distance) C4'-P energy: -5.012 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -1.736 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: 4 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -42.725145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.725145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.725145 (E_RNA) where: Base-Base interactions energy: -21.738 where: short stacking energy: -21.738 Base-Backbone interact. energy: -0.000 local terms energy: -20.986740 where: bonds (distance) C4'-P energy: -3.446 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -1.130 tors. eta vs tors. theta energy: -4.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -36.899070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.899070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.899070 (E_RNA) where: Base-Base interactions energy: -11.850 where: short stacking energy: -11.850 Base-Backbone interact. energy: -0.014 local terms energy: -25.034823 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -2.587 tors. eta vs tors. theta energy: -4.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -88.498942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.498942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.498942 (E_RNA) where: Base-Base interactions energy: -64.217 where: short stacking energy: -20.506 Base-Backbone interact. energy: -0.406 local terms energy: -23.875512 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.058 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: 0.849 tors. eta vs tors. theta energy: -7.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -79.220194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.220194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.220194 (E_RNA) where: Base-Base interactions energy: -54.339 where: short stacking energy: -19.996 Base-Backbone interact. energy: 0.820 local terms energy: -25.700955 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -6.527 flat angles P-C4'-P energy: -3.108 tors. eta vs tors. theta energy: -1.941 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: 10 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -87.251390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.251390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.251390 (E_RNA) where: Base-Base interactions energy: -66.207 where: short stacking energy: -22.619 Base-Backbone interact. energy: -0.672 local terms energy: -20.373208 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -5.621 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: 0.539 tors. eta vs tors. theta energy: -4.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -89.227261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.227261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.227261 (E_RNA) where: Base-Base interactions energy: -64.547 where: short stacking energy: -21.482 Base-Backbone interact. energy: -0.001 local terms energy: -24.679369 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: -4.054 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: 5, replica: 1 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -78.459595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.459595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.459595 (E_RNA) where: Base-Base interactions energy: -53.304 where: short stacking energy: -21.458 Base-Backbone interact. energy: -0.002 local terms energy: -25.154206 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -5.941 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: 6, replica: 3 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -54.171441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.171441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.171441 (E_RNA) where: Base-Base interactions energy: -27.985 where: short stacking energy: -27.985 Base-Backbone interact. energy: -0.000 local terms energy: -26.186738 where: bonds (distance) C4'-P energy: -3.712 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -6.231 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: 6 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -45.531611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.531611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.531611 (E_RNA) where: Base-Base interactions energy: -24.080 where: short stacking energy: -24.080 Base-Backbone interact. energy: -0.000 local terms energy: -21.450909 where: bonds (distance) C4'-P energy: -4.014 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: -3.951 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: 8, replica: 2 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -47.662521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.662521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.662521 (E_RNA) where: Base-Base interactions energy: -21.446 where: short stacking energy: -21.446 Base-Backbone interact. energy: -0.012 local terms energy: -26.204634 where: bonds (distance) C4'-P energy: -3.758 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -4.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -45.828651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.828651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.828651 (E_RNA) where: Base-Base interactions energy: -21.899 where: short stacking energy: -17.074 Base-Backbone interact. energy: -0.015 local terms energy: -23.914818 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -6.454 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: 10, replica: 4 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -39.364720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.364720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.364720 (E_RNA) where: Base-Base interactions energy: -16.802 where: short stacking energy: -14.215 Base-Backbone interact. energy: -0.102 local terms energy: -22.460077 where: bonds (distance) C4'-P energy: -3.649 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -2.018 flat angles P-C4'-P energy: -5.473 tors. eta vs tors. theta energy: -3.754 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: 8 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -92.960236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.960236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.960236 (E_RNA) where: Base-Base interactions energy: -65.680 where: short stacking energy: -23.433 Base-Backbone interact. energy: -0.002 local terms energy: -27.278186 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -1.962 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: 2, replica: 10 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -87.627992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.627992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.627992 (E_RNA) where: Base-Base interactions energy: -64.806 where: short stacking energy: -23.086 Base-Backbone interact. energy: -0.043 local terms energy: -22.779181 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -3.376 flat angles P-C4'-P energy: -1.227 tors. eta vs tors. theta energy: -4.448 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: 7 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -88.877894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.877894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.877894 (E_RNA) where: Base-Base interactions energy: -66.145 where: short stacking energy: -27.383 Base-Backbone interact. energy: -0.476 local terms energy: -22.256688 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: 1.438 tors. eta vs tors. theta energy: -4.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -76.213166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.213166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.213166 (E_RNA) where: Base-Base interactions energy: -49.852 where: short stacking energy: -19.646 Base-Backbone interact. energy: 0.393 local terms energy: -26.754003 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -3.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -87.570780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.570780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.570780 (E_RNA) where: Base-Base interactions energy: -67.975 where: short stacking energy: -25.524 Base-Backbone interact. energy: -0.002 local terms energy: -19.593237 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.143 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: 0.203 tors. eta vs tors. theta energy: -2.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -48.845131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.845131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.845131 (E_RNA) where: Base-Base interactions energy: -28.096 where: short stacking energy: -28.096 Base-Backbone interact. energy: -0.087 local terms energy: -20.661716 where: bonds (distance) C4'-P energy: -2.449 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -1.535 tors. eta vs tors. theta energy: -4.283 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: 7, replica: 3 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -41.605956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.605956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.605956 (E_RNA) where: Base-Base interactions energy: -25.195 where: short stacking energy: -25.195 Base-Backbone interact. energy: -0.019 local terms energy: -16.391847 where: bonds (distance) C4'-P energy: -0.726 bonds (distance) P-C4' energy: -3.550 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -1.647 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: 8, replica: 5 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -50.222406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.222406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.222406 (E_RNA) where: Base-Base interactions energy: -25.266 where: short stacking energy: -25.266 Base-Backbone interact. energy: -0.001 local terms energy: -24.956119 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: -4.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -47.180334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.180334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.180334 (E_RNA) where: Base-Base interactions energy: -21.282 where: short stacking energy: -14.975 Base-Backbone interact. energy: -0.008 local terms energy: -25.890124 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -2.104 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: 225 Temperature: 1.350000 Total energy: -37.468704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.468704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.468704 (E_RNA) where: Base-Base interactions energy: -12.281 where: short stacking energy: -7.690 Base-Backbone interact. energy: -0.000 local terms energy: -25.187623 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -2.588 tors. eta vs tors. theta energy: -2.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -89.277049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.277049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.277049 (E_RNA) where: Base-Base interactions energy: -68.091 where: short stacking energy: -27.232 Base-Backbone interact. energy: -0.340 local terms energy: -20.845439 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: 0.069 tors. eta vs tors. theta energy: -4.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -84.392093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.392093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.392093 (E_RNA) where: Base-Base interactions energy: -63.488 where: short stacking energy: -25.578 Base-Backbone interact. energy: -0.008 local terms energy: -20.895606 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -4.824 flat angles P-C4'-P energy: 0.977 tors. eta vs tors. theta energy: -4.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -83.005438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.005438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.005438 (E_RNA) where: Base-Base interactions energy: -57.771 where: short stacking energy: -26.070 Base-Backbone interact. energy: -0.042 local terms energy: -25.192466 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: 0.473 tors. eta vs tors. theta energy: -6.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -79.387735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.387735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.387735 (E_RNA) where: Base-Base interactions energy: -52.559 where: short stacking energy: -21.041 Base-Backbone interact. energy: -0.000 local terms energy: -26.828927 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: -3.313 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: 9 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -87.316966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.316966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.316966 (E_RNA) where: Base-Base interactions energy: -63.730 where: short stacking energy: -25.371 Base-Backbone interact. energy: -0.644 local terms energy: -22.943302 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -5.644 flat angles P-C4'-P energy: -1.620 tors. eta vs tors. theta energy: -2.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -61.027665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.027665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.027665 (E_RNA) where: Base-Base interactions energy: -30.450 where: short stacking energy: -30.450 Base-Backbone interact. energy: -0.000 local terms energy: -30.577854 where: bonds (distance) C4'-P energy: -4.482 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -5.756 tors. eta vs tors. theta energy: -8.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -54.026300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.026300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.026300 (E_RNA) where: Base-Base interactions energy: -28.165 where: short stacking energy: -19.694 Base-Backbone interact. energy: -0.000 local terms energy: -25.861126 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -5.848 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -4.949 tors. eta vs tors. theta energy: -3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -55.147194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.147194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.147194 (E_RNA) where: Base-Base interactions energy: -24.865 where: short stacking energy: -24.865 Base-Backbone interact. energy: -0.000 local terms energy: -30.281705 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -5.015 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -3.712 tors. eta vs tors. theta energy: -8.727 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: 9, replica: 4 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -50.049823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.049823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.049823 (E_RNA) where: Base-Base interactions energy: -23.919 where: short stacking energy: -6.112 Base-Backbone interact. energy: -0.328 local terms energy: -25.802877 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -4.995 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -35.004473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.004473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.004473 (E_RNA) where: Base-Base interactions energy: -16.262 where: short stacking energy: -13.239 Base-Backbone interact. energy: 0.378 local terms energy: -19.120604 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.048 flat angles C4'-P-C4' energy: -2.666 flat angles P-C4'-P energy: -3.346 tors. eta vs tors. theta energy: -3.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -90.699966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.699966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.699966 (E_RNA) where: Base-Base interactions energy: -65.625 where: short stacking energy: -25.653 Base-Backbone interact. energy: -0.001 local terms energy: -25.074240 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -1.599 tors. eta vs tors. theta energy: -4.870 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: 2, replica: 1 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -90.499685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.499685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.499685 (E_RNA) where: Base-Base interactions energy: -65.410 where: short stacking energy: -25.009 Base-Backbone interact. energy: -0.031 local terms energy: -25.059313 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: 1.524 tors. eta vs tors. theta energy: -7.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -81.407220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.407220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.407220 (E_RNA) where: Base-Base interactions energy: -52.675 where: short stacking energy: -22.110 Base-Backbone interact. energy: -1.033 local terms energy: -27.699173 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -4.618 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: 4, replica: 9 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -78.552087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.552087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.552087 (E_RNA) where: Base-Base interactions energy: -54.779 where: short stacking energy: -21.210 Base-Backbone interact. energy: -0.083 local terms energy: -23.689373 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -0.808 tors. eta vs tors. theta energy: -4.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -78.099541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.099541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.099541 (E_RNA) where: Base-Base interactions energy: -51.158 where: short stacking energy: -24.427 Base-Backbone interact. energy: -0.098 local terms energy: -26.843721 where: bonds (distance) C4'-P energy: -3.418 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -7.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -49.751190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.751190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.751190 (E_RNA) where: Base-Base interactions energy: -23.547 where: short stacking energy: -23.547 Base-Backbone interact. energy: 0.310 local terms energy: -26.514607 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -5.219 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -5.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -47.615186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.615186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.615186 (E_RNA) where: Base-Base interactions energy: -21.837 where: short stacking energy: -21.837 Base-Backbone interact. energy: -0.000 local terms energy: -25.778220 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -3.898 tors. eta vs tors. theta energy: -4.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -43.262281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.262281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.262281 (E_RNA) where: Base-Base interactions energy: -17.184 where: short stacking energy: -13.590 Base-Backbone interact. energy: -0.009 local terms energy: -26.069505 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -5.521 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: 9, replica: 3 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -55.799431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.799431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.799431 (E_RNA) where: Base-Base interactions energy: -32.998 where: short stacking energy: -17.495 Base-Backbone interact. energy: -0.002 local terms energy: -22.798660 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -2.978 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -4.649 tors. eta vs tors. theta energy: -3.378 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: 2 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -41.206794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.206794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.206794 (E_RNA) where: Base-Base interactions energy: -19.857 where: short stacking energy: -19.857 Base-Backbone interact. energy: -0.011 local terms energy: -21.339466 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -1.995 flat angles P-C4'-P energy: -3.245 tors. eta vs tors. theta energy: -3.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -83.127178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.127178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.127178 (E_RNA) where: Base-Base interactions energy: -55.775 where: short stacking energy: -23.144 Base-Backbone interact. energy: -0.098 local terms energy: -27.254069 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -2.028 tors. eta vs tors. theta energy: -5.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -91.644342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.644342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.644342 (E_RNA) where: Base-Base interactions energy: -66.986 where: short stacking energy: -25.128 Base-Backbone interact. energy: -0.003 local terms energy: -24.654824 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: 0.270 tors. eta vs tors. theta energy: -4.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -82.381783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.381783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.381783 (E_RNA) where: Base-Base interactions energy: -57.519 where: short stacking energy: -18.002 Base-Backbone interact. energy: 0.315 local terms energy: -25.177207 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: -1.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -80.425173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.425173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.425173 (E_RNA) where: Base-Base interactions energy: -60.899 where: short stacking energy: -24.120 Base-Backbone interact. energy: -0.162 local terms energy: -19.363911 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.484 flat angles P-C4'-P energy: 0.131 tors. eta vs tors. theta energy: -3.986 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: 5, replica: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -78.692846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.692846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.692846 (E_RNA) where: Base-Base interactions energy: -55.421 where: short stacking energy: -19.532 Base-Backbone interact. energy: 0.785 local terms energy: -24.057412 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -1.009 tors. eta vs tors. theta energy: -4.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -42.359000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.359000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.359000 (E_RNA) where: Base-Base interactions energy: -20.803 where: short stacking energy: -20.803 Base-Backbone interact. energy: -0.018 local terms energy: -21.537197 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -2.382 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -3.399 tors. eta vs tors. theta energy: -2.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -74.964120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.964120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.964120 (E_RNA) where: Base-Base interactions energy: -48.773 where: short stacking energy: -19.666 Base-Backbone interact. energy: -0.012 local terms energy: -26.179239 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -0.152 tors. eta vs tors. theta energy: -6.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -38.610437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.610437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.610437 (E_RNA) where: Base-Base interactions energy: -17.535 where: short stacking energy: -17.535 Base-Backbone interact. energy: 0.443 local terms energy: -21.518641 where: bonds (distance) C4'-P energy: -3.141 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -5.251 tors. eta vs tors. theta energy: -3.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -38.998105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.998105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.998105 (E_RNA) where: Base-Base interactions energy: -20.531 where: short stacking energy: -20.531 Base-Backbone interact. energy: -0.020 local terms energy: -18.446810 where: bonds (distance) C4'-P energy: -3.178 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -0.391 tors. eta vs tors. theta energy: -1.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -38.755422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.755422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.755422 (E_RNA) where: Base-Base interactions energy: -16.635 where: short stacking energy: -16.344 Base-Backbone interact. energy: -0.100 local terms energy: -22.021019 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -1.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -79.928898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.928898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.928898 (E_RNA) where: Base-Base interactions energy: -52.380 where: short stacking energy: -24.143 Base-Backbone interact. energy: -0.174 local terms energy: -27.374663 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -4.712 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: 10 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -87.966129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.966129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.966129 (E_RNA) where: Base-Base interactions energy: -65.377 where: short stacking energy: -24.483 Base-Backbone interact. energy: 0.147 local terms energy: -22.736665 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: 1.358 tors. eta vs tors. theta energy: -4.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -85.608656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.608656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.608656 (E_RNA) where: Base-Base interactions energy: -64.218 where: short stacking energy: -24.141 Base-Backbone interact. energy: -0.048 local terms energy: -21.343147 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: 1.133 tors. eta vs tors. theta energy: -3.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -83.628253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.628253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.628253 (E_RNA) where: Base-Base interactions energy: -54.269 where: short stacking energy: -24.378 Base-Backbone interact. energy: -0.008 local terms energy: -29.351734 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -85.072197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.072197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.072197 (E_RNA) where: Base-Base interactions energy: -61.863 where: short stacking energy: -21.770 Base-Backbone interact. energy: -0.248 local terms energy: -22.960578 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -0.302 tors. eta vs tors. theta energy: -4.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -80.602998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.602998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.602998 (E_RNA) where: Base-Base interactions energy: -59.819 where: short stacking energy: -25.970 Base-Backbone interact. energy: -0.008 local terms energy: -20.775407 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -5.565 flat angles C4'-P-C4' energy: -5.000 flat angles P-C4'-P energy: -1.852 tors. eta vs tors. theta energy: -2.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -56.719723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.719723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.719723 (E_RNA) where: Base-Base interactions energy: -36.608 where: short stacking energy: -15.655 Base-Backbone interact. energy: -0.074 local terms energy: -20.038182 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -4.389 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -2.143 tors. eta vs tors. theta energy: -2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -45.875598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.875598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.875598 (E_RNA) where: Base-Base interactions energy: -17.897 where: short stacking energy: -17.897 Base-Backbone interact. energy: -0.003 local terms energy: -27.975523 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -39.936651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.936651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.936651 (E_RNA) where: Base-Base interactions energy: -16.992 where: short stacking energy: -12.571 Base-Backbone interact. energy: -0.008 local terms energy: -22.936087 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -1.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -39.644737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.644737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.644737 (E_RNA) where: Base-Base interactions energy: -15.252 where: short stacking energy: -15.252 Base-Backbone interact. energy: -0.000 local terms energy: -24.392489 where: bonds (distance) C4'-P energy: -4.767 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.748 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -3.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -92.775040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.775040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.775040 (E_RNA) where: Base-Base interactions energy: -63.003 where: short stacking energy: -24.266 Base-Backbone interact. energy: -0.004 local terms energy: -29.767554 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -2.907 tors. eta vs tors. theta energy: -6.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -89.966910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.966910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.966910 (E_RNA) where: Base-Base interactions energy: -65.320 where: short stacking energy: -25.090 Base-Backbone interact. energy: -0.010 local terms energy: -24.636444 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -1.154 tors. eta vs tors. theta energy: -6.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -85.525987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.525987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.525987 (E_RNA) where: Base-Base interactions energy: -61.333 where: short stacking energy: -24.638 Base-Backbone interact. energy: -0.002 local terms energy: -24.191266 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: 0.753 tors. eta vs tors. theta energy: -5.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -78.865698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.865698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.865698 (E_RNA) where: Base-Base interactions energy: -54.016 where: short stacking energy: -25.139 Base-Backbone interact. energy: -0.097 local terms energy: -24.752794 where: bonds (distance) C4'-P energy: -5.219 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -3.503 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: 5, replica: 8 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -80.234220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.234220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.234220 (E_RNA) where: Base-Base interactions energy: -61.915 where: short stacking energy: -22.780 Base-Backbone interact. energy: -0.007 local terms energy: -18.312652 where: bonds (distance) C4'-P energy: -4.122 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: 1.228 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: 6, replica: 4 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -76.614754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.614754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.614754 (E_RNA) where: Base-Base interactions energy: -51.784 where: short stacking energy: -20.568 Base-Backbone interact. energy: -0.407 local terms energy: -24.424385 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -4.209 flat angles C4'-P-C4' energy: -5.843 flat angles P-C4'-P energy: -2.044 tors. eta vs tors. theta energy: -6.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -49.936613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.936613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.936613 (E_RNA) where: Base-Base interactions energy: -30.806 where: short stacking energy: -18.224 Base-Backbone interact. energy: -0.190 local terms energy: -18.940622 where: bonds (distance) C4'-P energy: -3.517 bonds (distance) P-C4' energy: -5.713 flat angles C4'-P-C4' energy: -2.590 flat angles P-C4'-P energy: -2.629 tors. eta vs tors. theta energy: -4.491 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: 5 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -46.715718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.715718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.715718 (E_RNA) where: Base-Base interactions energy: -26.164 where: short stacking energy: -10.338 Base-Backbone interact. energy: -0.193 local terms energy: -20.359010 where: bonds (distance) C4'-P energy: -4.403 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: 1.158 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: 9, replica: 3 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -42.039390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.039390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.039390 (E_RNA) where: Base-Base interactions energy: -19.035 where: short stacking energy: -18.254 Base-Backbone interact. energy: -0.002 local terms energy: -23.002150 where: bonds (distance) C4'-P energy: -4.410 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.433 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -41.431104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.431104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.431104 (E_RNA) where: Base-Base interactions energy: -17.443 where: short stacking energy: -17.443 Base-Backbone interact. energy: -0.000 local terms energy: -23.988019 where: bonds (distance) C4'-P energy: -4.387 bonds (distance) P-C4' energy: -3.678 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -3.411 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: 10 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -88.552363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.552363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.552363 (E_RNA) where: Base-Base interactions energy: -59.076 where: short stacking energy: -20.991 Base-Backbone interact. energy: -0.002 local terms energy: -29.474402 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -81.531480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.531480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.531480 (E_RNA) where: Base-Base interactions energy: -55.504 where: short stacking energy: -24.643 Base-Backbone interact. energy: -0.002 local terms energy: -26.025116 where: bonds (distance) C4'-P energy: -4.644 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -5.955 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: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -83.942683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.942683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.942683 (E_RNA) where: Base-Base interactions energy: -56.158 where: short stacking energy: -22.903 Base-Backbone interact. energy: -0.000 local terms energy: -27.784810 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -6.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -55.036924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.036924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.036924 (E_RNA) where: Base-Base interactions energy: -30.712 where: short stacking energy: -21.444 Base-Backbone interact. energy: -0.057 local terms energy: -24.267990 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -4.433 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -3.080 tors. eta vs tors. theta energy: -4.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -83.925423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.925423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.925423 (E_RNA) where: Base-Base interactions energy: -60.778 where: short stacking energy: -21.602 Base-Backbone interact. energy: -0.005 local terms energy: -23.141832 where: bonds (distance) C4'-P energy: -5.255 bonds (distance) P-C4' energy: -6.733 flat angles C4'-P-C4' energy: -4.656 flat angles P-C4'-P energy: -2.413 tors. eta vs tors. theta energy: -4.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -44.325293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.325293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.325293 (E_RNA) where: Base-Base interactions energy: -23.133 where: short stacking energy: -18.945 Base-Backbone interact. energy: 0.343 local terms energy: -21.535175 where: bonds (distance) C4'-P energy: -3.186 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -3.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -75.684555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.684555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.684555 (E_RNA) where: Base-Base interactions energy: -53.501 where: short stacking energy: -24.338 Base-Backbone interact. energy: -0.459 local terms energy: -21.724203 where: bonds (distance) C4'-P energy: -2.271 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -3.834 flat angles P-C4'-P energy: -2.015 tors. eta vs tors. theta energy: -6.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -40.042156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.042156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.042156 (E_RNA) where: Base-Base interactions energy: -20.023 where: short stacking energy: -19.308 Base-Backbone interact. energy: -0.070 local terms energy: -19.948678 where: bonds (distance) C4'-P energy: -2.953 bonds (distance) P-C4' energy: -5.538 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -0.323 tors. eta vs tors. theta energy: -4.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -40.995481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.995481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.995481 (E_RNA) where: Base-Base interactions energy: -17.158 where: short stacking energy: -17.158 Base-Backbone interact. energy: -0.012 local terms energy: -23.825917 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: -2.725 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: 6 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -44.285570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.285570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.285570 (E_RNA) where: Base-Base interactions energy: -20.121 where: short stacking energy: -20.121 Base-Backbone interact. energy: -0.057 local terms energy: -24.107804 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -4.496 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: 7 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -86.286588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.286588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.286588 (E_RNA) where: Base-Base interactions energy: -66.453 where: short stacking energy: -24.992 Base-Backbone interact. energy: -0.068 local terms energy: -19.765639 where: bonds (distance) C4'-P energy: -5.674 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: 0.560 tors. eta vs tors. theta energy: -2.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -85.249214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.249214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.249214 (E_RNA) where: Base-Base interactions energy: -57.394 where: short stacking energy: -25.031 Base-Backbone interact. energy: 0.333 local terms energy: -28.188222 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -5.880 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: 8 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -54.064338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.064338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.064338 (E_RNA) where: Base-Base interactions energy: -27.834 where: short stacking energy: -27.834 Base-Backbone interact. energy: -0.000 local terms energy: -26.230498 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.643 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -5.242 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: 1 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -79.844407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.844407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.844407 (E_RNA) where: Base-Base interactions energy: -52.755 where: short stacking energy: -22.942 Base-Backbone interact. energy: -0.044 local terms energy: -27.044531 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -4.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -50.953921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.953921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.953921 (E_RNA) where: Base-Base interactions energy: -22.037 where: short stacking energy: -22.037 Base-Backbone interact. energy: -0.000 local terms energy: -28.916778 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -5.201 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -3.328 tors. eta vs tors. theta energy: -7.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -76.398585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.398585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.398585 (E_RNA) where: Base-Base interactions energy: -49.723 where: short stacking energy: -24.662 Base-Backbone interact. energy: -0.074 local terms energy: -26.601211 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -5.975 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: 4 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -75.673038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.673038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.673038 (E_RNA) where: Base-Base interactions energy: -50.778 where: short stacking energy: -21.950 Base-Backbone interact. energy: -0.014 local terms energy: -24.881222 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -5.750 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: -5.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -78.633926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.633926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.633926 (E_RNA) where: Base-Base interactions energy: -50.200 where: short stacking energy: -22.802 Base-Backbone interact. energy: -0.000 local terms energy: -28.433785 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -5.706 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -3.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -44.139932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.139932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.139932 (E_RNA) where: Base-Base interactions energy: -25.147 where: short stacking energy: -23.937 Base-Backbone interact. energy: -0.007 local terms energy: -18.985418 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -4.330 flat angles C4'-P-C4' energy: -3.464 flat angles P-C4'-P energy: -1.239 tors. eta vs tors. theta energy: -4.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -45.310156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.310156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.310156 (E_RNA) where: Base-Base interactions energy: -22.131 where: short stacking energy: -22.131 Base-Backbone interact. energy: -0.002 local terms energy: -23.177005 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -4.090 flat angles C4'-P-C4' energy: -3.518 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -4.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -90.722299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.722299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.722299 (E_RNA) where: Base-Base interactions energy: -70.204 where: short stacking energy: -29.489 Base-Backbone interact. energy: -0.284 local terms energy: -20.234697 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -6.296 flat angles P-C4'-P energy: 2.809 tors. eta vs tors. theta energy: -4.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -87.832155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.832155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.832155 (E_RNA) where: Base-Base interactions energy: -61.054 where: short stacking energy: -23.836 Base-Backbone interact. energy: -0.002 local terms energy: -26.776021 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -2.164 tors. eta vs tors. theta energy: -5.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -59.773728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.773728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.773728 (E_RNA) where: Base-Base interactions energy: -27.018 where: short stacking energy: -27.018 Base-Backbone interact. energy: -0.000 local terms energy: -32.756130 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -7.190 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: 1 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -77.380844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.380844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.380844 (E_RNA) where: Base-Base interactions energy: -49.430 where: short stacking energy: -19.060 Base-Backbone interact. energy: -0.036 local terms energy: -27.914886 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -3.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -53.495295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.495295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.495295 (E_RNA) where: Base-Base interactions energy: -32.621 where: short stacking energy: -16.351 Base-Backbone interact. energy: -0.003 local terms energy: -20.871397 where: bonds (distance) C4'-P energy: -3.596 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -1.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -83.536873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.536873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.536873 (E_RNA) where: Base-Base interactions energy: -60.718 where: short stacking energy: -21.770 Base-Backbone interact. energy: -0.003 local terms energy: -22.816390 where: bonds (distance) C4'-P energy: -4.784 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -2.132 tors. eta vs tors. theta energy: -5.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -47.142853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.142853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.142853 (E_RNA) where: Base-Base interactions energy: -24.666 where: short stacking energy: -19.404 Base-Backbone interact. energy: -0.096 local terms energy: -22.381375 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -3.457 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -3.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -53.817498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.817498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.817498 (E_RNA) where: Base-Base interactions energy: -27.677 where: short stacking energy: -17.803 Base-Backbone interact. energy: -0.105 local terms energy: -26.035007 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -4.007 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -5.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -56.098503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.098503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.098503 (E_RNA) where: Base-Base interactions energy: -32.178 where: short stacking energy: -17.370 Base-Backbone interact. energy: 1.528 local terms energy: -25.448698 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -5.489 tors. eta vs tors. theta energy: 1.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -36.900821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.900821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.900821 (E_RNA) where: Base-Base interactions energy: -16.989 where: short stacking energy: -16.989 Base-Backbone interact. energy: -0.015 local terms energy: -19.896194 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -5.216 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -1.351 tors. eta vs tors. theta energy: -1.100 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: 1, replica: 10 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -82.295844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.295844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.295844 (E_RNA) where: Base-Base interactions energy: -52.121 where: short stacking energy: -23.037 Base-Backbone interact. energy: -0.000 local terms energy: -30.174557 where: bonds (distance) C4'-P energy: -4.436 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -5.682 tors. eta vs tors. theta energy: -4.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -87.971480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.971480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.971480 (E_RNA) where: Base-Base interactions energy: -64.088 where: short stacking energy: -25.250 Base-Backbone interact. energy: -0.019 local terms energy: -23.864399 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -0.207 tors. eta vs tors. theta energy: -4.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -83.386147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.386147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.386147 (E_RNA) where: Base-Base interactions energy: -56.586 where: short stacking energy: -23.423 Base-Backbone interact. energy: -0.023 local terms energy: -26.777242 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -2.087 tors. eta vs tors. theta energy: -7.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -57.520549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.520549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.520549 (E_RNA) where: Base-Base interactions energy: -29.459 where: short stacking energy: -15.752 Base-Backbone interact. energy: -0.616 local terms energy: -27.446190 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.784 flat angles C4'-P-C4' energy: -7.066 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -3.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -81.370821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.370821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.370821 (E_RNA) where: Base-Base interactions energy: -59.919 where: short stacking energy: -22.749 Base-Backbone interact. energy: -0.019 local terms energy: -21.432919 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -0.729 tors. eta vs tors. theta energy: -3.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -46.029809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.029809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.029809 (E_RNA) where: Base-Base interactions energy: -19.167 where: short stacking energy: -17.192 Base-Backbone interact. energy: -0.127 local terms energy: -26.736502 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -4.807 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: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -43.650821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.650821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.650821 (E_RNA) where: Base-Base interactions energy: -23.556 where: short stacking energy: -19.118 Base-Backbone interact. energy: -0.011 local terms energy: -20.083876 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -3.986 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -2.418 tors. eta vs tors. theta energy: -2.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -50.724713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.724713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.724713 (E_RNA) where: Base-Base interactions energy: -28.113 where: short stacking energy: -17.744 Base-Backbone interact. energy: -0.009 local terms energy: -22.602270 where: bonds (distance) C4'-P energy: -3.033 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.561 flat angles P-C4'-P energy: -5.987 tors. eta vs tors. theta energy: -1.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -36.452650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.452650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.452650 (E_RNA) where: Base-Base interactions energy: -13.269 where: short stacking energy: -13.269 Base-Backbone interact. energy: -0.016 local terms energy: -23.167142 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: 0.528 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: 3 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -53.089823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.089823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.089823 (E_RNA) where: Base-Base interactions energy: -30.670 where: short stacking energy: -14.313 Base-Backbone interact. energy: -0.001 local terms energy: -22.418738 where: bonds (distance) C4'-P energy: -5.057 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -2.756 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -5.033 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: 10 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -85.213986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.213986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.213986 (E_RNA) where: Base-Base interactions energy: -58.355 where: short stacking energy: -23.163 Base-Backbone interact. energy: -0.005 local terms energy: -26.854135 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -3.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -88.203855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.203855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.203855 (E_RNA) where: Base-Base interactions energy: -61.120 where: short stacking energy: -25.406 Base-Backbone interact. energy: -0.004 local terms energy: -27.080146 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -1.978 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: 3, replica: 7 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -80.625739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.625739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.625739 (E_RNA) where: Base-Base interactions energy: -62.165 where: short stacking energy: -25.286 Base-Backbone interact. energy: -0.001 local terms energy: -18.459420 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -5.870 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: 1.014 tors. eta vs tors. theta energy: -3.647 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: 9 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -82.102929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.102929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.102929 (E_RNA) where: Base-Base interactions energy: -51.551 where: short stacking energy: -25.171 Base-Backbone interact. energy: -0.000 local terms energy: -30.551330 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -5.242 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: 8 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -48.535701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.535701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.535701 (E_RNA) where: Base-Base interactions energy: -29.214 where: short stacking energy: -15.005 Base-Backbone interact. energy: 0.530 local terms energy: -19.851617 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -2.013 tors. eta vs tors. theta energy: 1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -48.567012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.567012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.567012 (E_RNA) where: Base-Base interactions energy: -21.807 where: short stacking energy: -17.222 Base-Backbone interact. energy: 0.351 local terms energy: -27.110617 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -2.152 tors. eta vs tors. theta energy: -3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -42.085013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.085013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.085013 (E_RNA) where: Base-Base interactions energy: -21.380 where: short stacking energy: -20.865 Base-Backbone interact. energy: -0.090 local terms energy: -20.614399 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -1.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -38.888529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.888529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.888529 (E_RNA) where: Base-Base interactions energy: -13.795 where: short stacking energy: -13.795 Base-Backbone interact. energy: -0.013 local terms energy: -25.081060 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -37.030103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.030103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.030103 (E_RNA) where: Base-Base interactions energy: -13.603 where: short stacking energy: -13.603 Base-Backbone interact. energy: -0.107 local terms energy: -23.319928 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: 0.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -48.694044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.694044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.694044 (E_RNA) where: Base-Base interactions energy: -21.778 where: short stacking energy: -21.778 Base-Backbone interact. energy: -0.000 local terms energy: -26.915764 where: bonds (distance) C4'-P energy: -2.088 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -4.271 tors. eta vs tors. theta energy: -6.848 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: 1 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -90.813388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.813388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.813388 (E_RNA) where: Base-Base interactions energy: -64.221 where: short stacking energy: -24.090 Base-Backbone interact. energy: -0.002 local terms energy: -26.590509 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -3.265 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -82.123802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.123802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.123802 (E_RNA) where: Base-Base interactions energy: -54.515 where: short stacking energy: -22.895 Base-Backbone interact. energy: -0.000 local terms energy: -27.608547 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -2.765 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -82.837887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.837887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.837887 (E_RNA) where: Base-Base interactions energy: -61.657 where: short stacking energy: -22.049 Base-Backbone interact. energy: -0.271 local terms energy: -20.909772 where: bonds (distance) C4'-P energy: -3.621 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -0.459 tors. eta vs tors. theta energy: -4.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -79.820122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.820122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.820122 (E_RNA) where: Base-Base interactions energy: -55.150 where: short stacking energy: -24.297 Base-Backbone interact. energy: -0.006 local terms energy: -24.663370 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: 0.221 tors. eta vs tors. theta energy: -4.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -57.475774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.475774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.475774 (E_RNA) where: Base-Base interactions energy: -30.841 where: short stacking energy: -19.632 Base-Backbone interact. energy: -0.003 local terms energy: -26.631032 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.088 flat angles P-C4'-P energy: -3.846 tors. eta vs tors. theta energy: -4.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -50.853586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.853586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.853586 (E_RNA) where: Base-Base interactions energy: -25.715 where: short stacking energy: -23.002 Base-Backbone interact. energy: -0.047 local terms energy: -25.091727 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -0.475 tors. eta vs tors. theta energy: -5.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -45.408231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.408231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.408231 (E_RNA) where: Base-Base interactions energy: -20.046 where: short stacking energy: -20.046 Base-Backbone interact. energy: -0.047 local terms energy: -25.314815 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -1.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -43.594088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.594088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.594088 (E_RNA) where: Base-Base interactions energy: -20.250 where: short stacking energy: -20.250 Base-Backbone interact. energy: -0.001 local terms energy: -23.342548 where: bonds (distance) C4'-P energy: -4.714 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -1.729 tors. eta vs tors. theta energy: -6.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -39.047924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.047924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.047924 (E_RNA) where: Base-Base interactions energy: -19.689 where: short stacking energy: -19.689 Base-Backbone interact. energy: -0.212 local terms energy: -19.147082 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -3.445 flat angles C4'-P-C4' energy: -4.231 flat angles P-C4'-P energy: -3.572 tors. eta vs tors. theta energy: -1.968 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: 5 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -40.087876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.087876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.087876 (E_RNA) where: Base-Base interactions energy: -21.229 where: short stacking energy: -9.927 Base-Backbone interact. energy: -0.012 local terms energy: -18.846755 where: bonds (distance) C4'-P energy: -4.627 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -1.525 tors. eta vs tors. theta energy: 0.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -86.386690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.386690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.386690 (E_RNA) where: Base-Base interactions energy: -56.149 where: short stacking energy: -24.282 Base-Backbone interact. energy: -0.001 local terms energy: -30.236955 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.766 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -3.706 tors. eta vs tors. theta energy: -6.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -87.043780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.043780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.043780 (E_RNA) where: Base-Base interactions energy: -63.944 where: short stacking energy: -21.972 Base-Backbone interact. energy: -0.013 local terms energy: -23.086788 where: bonds (distance) C4'-P energy: -3.020 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -1.829 tors. eta vs tors. theta energy: -5.003 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: 10 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -80.489122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.489122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.489122 (E_RNA) where: Base-Base interactions energy: -58.744 where: short stacking energy: -19.908 Base-Backbone interact. energy: -0.344 local terms energy: -21.400990 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -5.171 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -0.096 tors. eta vs tors. theta energy: -4.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -79.924142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.924142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.924142 (E_RNA) where: Base-Base interactions energy: -57.823 where: short stacking energy: -23.264 Base-Backbone interact. energy: -0.078 local terms energy: -22.023261 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -2.144 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -4.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -48.518432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.518432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.518432 (E_RNA) where: Base-Base interactions energy: -23.902 where: short stacking energy: -23.902 Base-Backbone interact. energy: -0.000 local terms energy: -24.616555 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -4.720 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -1.956 tors. eta vs tors. theta energy: -4.157 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: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -52.329455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.329455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.329455 (E_RNA) where: Base-Base interactions energy: -22.512 where: short stacking energy: -22.512 Base-Backbone interact. energy: -0.000 local terms energy: -29.817078 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -7.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -51.132415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.132415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.132415 (E_RNA) where: Base-Base interactions energy: -21.844 where: short stacking energy: -21.844 Base-Backbone interact. energy: -0.115 local terms energy: -29.173156 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -7.289 flat angles P-C4'-P energy: -6.289 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -45.782573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.782573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.782573 (E_RNA) where: Base-Base interactions energy: -18.488 where: short stacking energy: -18.488 Base-Backbone interact. energy: -0.090 local terms energy: -27.204684 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -4.439 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -5.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -39.132660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.132660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.132660 (E_RNA) where: Base-Base interactions energy: -15.286 where: short stacking energy: -15.286 Base-Backbone interact. energy: -0.018 local terms energy: -23.829035 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: 0.212 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: 5 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -40.383140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.383140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.383140 (E_RNA) where: Base-Base interactions energy: -17.519 where: short stacking energy: -17.519 Base-Backbone interact. energy: -0.001 local terms energy: -22.863062 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -3.342 flat angles P-C4'-P energy: -2.832 tors. eta vs tors. theta energy: -3.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -87.736009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.736009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.736009 (E_RNA) where: Base-Base interactions energy: -64.289 where: short stacking energy: -25.277 Base-Backbone interact. energy: -0.000 local terms energy: -23.447089 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: 0.898 tors. eta vs tors. theta energy: -4.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -91.139323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.139323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.139323 (E_RNA) where: Base-Base interactions energy: -67.280 where: short stacking energy: -26.224 Base-Backbone interact. energy: -0.066 local terms energy: -23.793550 where: bonds (distance) C4'-P energy: -5.016 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -0.243 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: 3, replica: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -82.032919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.032919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.032919 (E_RNA) where: Base-Base interactions energy: -53.105 where: short stacking energy: -19.866 Base-Backbone interact. energy: -0.000 local terms energy: -28.927670 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -4.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -80.935132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.935132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.935132 (E_RNA) where: Base-Base interactions energy: -52.537 where: short stacking energy: -22.223 Base-Backbone interact. energy: -0.002 local terms energy: -28.396749 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -3.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -49.168424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.168424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.168424 (E_RNA) where: Base-Base interactions energy: -25.702 where: short stacking energy: -25.702 Base-Backbone interact. energy: -0.095 local terms energy: -23.371455 where: bonds (distance) C4'-P energy: -3.720 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -3.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -52.203917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.203917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.203917 (E_RNA) where: Base-Base interactions energy: -23.751 where: short stacking energy: -23.751 Base-Backbone interact. energy: -0.000 local terms energy: -28.453113 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -1.223 tors. eta vs tors. theta energy: -6.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -48.695748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.695748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.695748 (E_RNA) where: Base-Base interactions energy: -25.203 where: short stacking energy: -21.844 Base-Backbone interact. energy: -0.017 local terms energy: -23.475618 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.646 flat angles C4'-P-C4' energy: -3.457 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -42.829787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.829787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.829787 (E_RNA) where: Base-Base interactions energy: -18.944 where: short stacking energy: -14.246 Base-Backbone interact. energy: -0.742 local terms energy: -23.143765 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -3.702 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -2.095 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: 5 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -33.163769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.163769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.163769 (E_RNA) where: Base-Base interactions energy: -11.289 where: short stacking energy: -11.289 Base-Backbone interact. energy: -0.000 local terms energy: -21.874602 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -2.299 tors. eta vs tors. theta energy: -2.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -44.694700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.694700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.694700 (E_RNA) where: Base-Base interactions energy: -21.074 where: short stacking energy: -21.074 Base-Backbone interact. energy: -0.000 local terms energy: -23.620250 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -1.490 tors. eta vs tors. theta energy: -5.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -88.973390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.973390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.973390 (E_RNA) where: Base-Base interactions energy: -67.215 where: short stacking energy: -25.194 Base-Backbone interact. energy: -0.159 local terms energy: -21.598826 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: 1.139 tors. eta vs tors. theta energy: -3.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -83.508788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.508788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.508788 (E_RNA) where: Base-Base interactions energy: -65.418 where: short stacking energy: -24.949 Base-Backbone interact. energy: -0.063 local terms energy: -18.027231 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -2.910 flat angles P-C4'-P energy: 1.390 tors. eta vs tors. theta energy: -4.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -81.187607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.187607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.187607 (E_RNA) where: Base-Base interactions energy: -54.246 where: short stacking energy: -23.789 Base-Backbone interact. energy: -0.000 local terms energy: -26.941843 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.043 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -5.231 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: 4, replica: 4 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -73.421575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.421575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.421575 (E_RNA) where: Base-Base interactions energy: -52.462 where: short stacking energy: -22.935 Base-Backbone interact. energy: -0.000 local terms energy: -20.959402 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -5.717 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: 0.458 tors. eta vs tors. theta energy: -3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -83.858703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.858703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.858703 (E_RNA) where: Base-Base interactions energy: -61.051 where: short stacking energy: -21.782 Base-Backbone interact. energy: -0.003 local terms energy: -22.805252 where: bonds (distance) C4'-P energy: -5.156 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: -2.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -46.527835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.527835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.527835 (E_RNA) where: Base-Base interactions energy: -18.096 where: short stacking energy: -18.096 Base-Backbone interact. energy: -0.037 local terms energy: -28.394784 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.707 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -5.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -39.009675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.009675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.009675 (E_RNA) where: Base-Base interactions energy: -15.408 where: short stacking energy: -15.408 Base-Backbone interact. energy: -0.000 local terms energy: -23.601747 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.121 flat angles P-C4'-P energy: -1.883 tors. eta vs tors. theta energy: -3.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -40.502160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.502160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.502160 (E_RNA) where: Base-Base interactions energy: -21.886 where: short stacking energy: -12.305 Base-Backbone interact. energy: -0.059 local terms energy: -18.556524 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -3.227 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: 1.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -44.108815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.108815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.108815 (E_RNA) where: Base-Base interactions energy: -18.950 where: short stacking energy: -18.950 Base-Backbone interact. energy: -0.000 local terms energy: -25.158328 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -4.719 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: -6.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -58.311592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.311592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.311592 (E_RNA) where: Base-Base interactions energy: -33.978 where: short stacking energy: -16.276 Base-Backbone interact. energy: -0.000 local terms energy: -24.333950 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -1.816 tors. eta vs tors. theta energy: -2.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -87.541517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.541517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.541517 (E_RNA) where: Base-Base interactions energy: -63.943 where: short stacking energy: -23.939 Base-Backbone interact. energy: -0.002 local terms energy: -23.596644 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.302 flat angles P-C4'-P energy: -0.168 tors. eta vs tors. theta energy: -4.612 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: 7 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -94.212319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.212319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.212319 (E_RNA) where: Base-Base interactions energy: -72.555 where: short stacking energy: -27.966 Base-Backbone interact. energy: -0.005 local terms energy: -21.651996 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: 2.093 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: 3, replica: 9 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -88.697188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.697188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.697188 (E_RNA) where: Base-Base interactions energy: -69.695 where: short stacking energy: -27.877 Base-Backbone interact. energy: -0.031 local terms energy: -18.971345 where: bonds (distance) C4'-P energy: -3.276 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: 2.004 tors. eta vs tors. theta energy: -5.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -83.966104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.966104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.966104 (E_RNA) where: Base-Base interactions energy: -63.123 where: short stacking energy: -25.918 Base-Backbone interact. energy: -0.127 local terms energy: -20.715726 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: 4.311 tors. eta vs tors. theta energy: -5.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -81.206781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.206781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.206781 (E_RNA) where: Base-Base interactions energy: -55.463 where: short stacking energy: -17.791 Base-Backbone interact. energy: -0.423 local terms energy: -25.321538 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: 0.751 tors. eta vs tors. theta energy: -5.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -38.103769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.103769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.103769 (E_RNA) where: Base-Base interactions energy: -17.741 where: short stacking energy: -17.741 Base-Backbone interact. energy: 0.349 local terms energy: -20.711224 where: bonds (distance) C4'-P energy: -4.668 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -4.575 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: 7, replica: 5 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -48.457597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.457597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.457597 (E_RNA) where: Base-Base interactions energy: -24.995 where: short stacking energy: -14.587 Base-Backbone interact. energy: -0.000 local terms energy: -23.462498 where: bonds (distance) C4'-P energy: -5.272 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -3.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -41.526833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.526833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.526833 (E_RNA) where: Base-Base interactions energy: -14.593 where: short stacking energy: -14.593 Base-Backbone interact. energy: -0.034 local terms energy: -26.900098 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.720 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -4.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -64.668812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.668812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.668812 (E_RNA) where: Base-Base interactions energy: -43.982 where: short stacking energy: -19.125 Base-Backbone interact. energy: -0.076 local terms energy: -20.610715 where: bonds (distance) C4'-P energy: -4.809 bonds (distance) P-C4' energy: -4.160 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -2.085 tors. eta vs tors. theta energy: -2.774 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: 8 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -42.224716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.224716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.224716 (E_RNA) where: Base-Base interactions energy: -20.452 where: short stacking energy: -18.819 Base-Backbone interact. energy: -0.093 local terms energy: -21.679002 where: bonds (distance) C4'-P energy: -2.664 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -2.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -87.126283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.126283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.126283 (E_RNA) where: Base-Base interactions energy: -65.782 where: short stacking energy: -25.371 Base-Backbone interact. energy: -0.004 local terms energy: -21.340282 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: 1.296 tors. eta vs tors. theta energy: -4.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -91.930033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.930033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.930033 (E_RNA) where: Base-Base interactions energy: -65.823 where: short stacking energy: -26.007 Base-Backbone interact. energy: -0.079 local terms energy: -26.028405 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -1.151 tors. eta vs tors. theta energy: -5.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -90.890977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.890977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.890977 (E_RNA) where: Base-Base interactions energy: -66.163 where: short stacking energy: -25.179 Base-Backbone interact. energy: -0.028 local terms energy: -24.700547 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -0.982 tors. eta vs tors. theta energy: -2.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -78.592928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.592928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.592928 (E_RNA) where: Base-Base interactions energy: -52.486 where: short stacking energy: -19.973 Base-Backbone interact. energy: -0.000 local terms energy: -26.107140 where: bonds (distance) C4'-P energy: -5.872 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -5.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -68.001261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.001261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.001261 (E_RNA) where: Base-Base interactions energy: -44.754 where: short stacking energy: -18.079 Base-Backbone interact. energy: -0.159 local terms energy: -23.087840 where: bonds (distance) C4'-P energy: -4.146 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.675 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -44.817195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.817195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.817195 (E_RNA) where: Base-Base interactions energy: -22.599 where: short stacking energy: -22.599 Base-Backbone interact. energy: -0.005 local terms energy: -22.212953 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -2.129 tors. eta vs tors. theta energy: -2.637 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: 3 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -47.711196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.711196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.711196 (E_RNA) where: Base-Base interactions energy: -21.656 where: short stacking energy: -21.656 Base-Backbone interact. energy: -0.107 local terms energy: -25.947461 where: bonds (distance) C4'-P energy: -4.133 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -2.667 tors. eta vs tors. theta energy: -5.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -35.662518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.662518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.662518 (E_RNA) where: Base-Base interactions energy: -17.485 where: short stacking energy: -14.319 Base-Backbone interact. energy: -0.006 local terms energy: -18.171875 where: bonds (distance) C4'-P energy: -2.726 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -2.339 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -44.182392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.182392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.182392 (E_RNA) where: Base-Base interactions energy: -21.242 where: short stacking energy: -8.528 Base-Backbone interact. energy: -0.520 local terms energy: -22.420293 where: bonds (distance) C4'-P energy: -3.621 bonds (distance) P-C4' energy: -4.927 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -2.961 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: 8 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -37.105099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.105099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.105099 (E_RNA) where: Base-Base interactions energy: -12.058 where: short stacking energy: -12.058 Base-Backbone interact. energy: -0.101 local terms energy: -24.946519 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -6.615 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -2.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -83.504914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.504914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.504914 (E_RNA) where: Base-Base interactions energy: -57.205 where: short stacking energy: -20.473 Base-Backbone interact. energy: 0.011 local terms energy: -26.311451 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: -1.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -89.478168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.478168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.478168 (E_RNA) where: Base-Base interactions energy: -65.255 where: short stacking energy: -25.949 Base-Backbone interact. energy: -0.406 local terms energy: -23.817093 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: 0.672 tors. eta vs tors. theta energy: -5.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -89.162006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.162006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.162006 (E_RNA) where: Base-Base interactions energy: -64.042 where: short stacking energy: -22.640 Base-Backbone interact. energy: -0.009 local terms energy: -25.111049 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -1.080 tors. eta vs tors. theta energy: -4.053 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: 10 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -82.816140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.816140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.816140 (E_RNA) where: Base-Base interactions energy: -63.367 where: short stacking energy: -24.987 Base-Backbone interact. energy: 0.327 local terms energy: -19.776158 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.753 flat angles P-C4'-P energy: 2.817 tors. eta vs tors. theta energy: -4.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -47.771729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.771729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.771729 (E_RNA) where: Base-Base interactions energy: -22.651 where: short stacking energy: -22.651 Base-Backbone interact. energy: -0.220 local terms energy: -24.900662 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -6.005 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -1.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -49.594715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.594715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.594715 (E_RNA) where: Base-Base interactions energy: -21.866 where: short stacking energy: -21.866 Base-Backbone interact. energy: -0.002 local terms energy: -27.726226 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -5.823 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -4.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -44.320567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.320567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.320567 (E_RNA) where: Base-Base interactions energy: -16.002 where: short stacking energy: -16.002 Base-Backbone interact. energy: -0.006 local terms energy: -28.312173 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -3.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -46.511236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.511236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.511236 (E_RNA) where: Base-Base interactions energy: -19.124 where: short stacking energy: -19.124 Base-Backbone interact. energy: -0.000 local terms energy: -27.387545 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -6.293 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -5.571 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: 9, replica: 8 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -37.416748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.416748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.416748 (E_RNA) where: Base-Base interactions energy: -20.100 where: short stacking energy: -20.100 Base-Backbone interact. energy: -0.014 local terms energy: -17.302297 where: bonds (distance) C4'-P energy: -3.425 bonds (distance) P-C4' energy: -5.060 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -2.410 tors. eta vs tors. theta energy: -0.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -35.711217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.711217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.711217 (E_RNA) where: Base-Base interactions energy: -16.350 where: short stacking energy: -16.350 Base-Backbone interact. energy: -0.032 local terms energy: -19.329219 where: bonds (distance) C4'-P energy: -4.635 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -1.614 tors. eta vs tors. theta energy: -2.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -89.952399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.952399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.952399 (E_RNA) where: Base-Base interactions energy: -63.841 where: short stacking energy: -22.090 Base-Backbone interact. energy: -0.160 local terms energy: -25.951459 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.005 flat angles C4'-P-C4' energy: -4.065 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -6.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -89.339990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.339990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.339990 (E_RNA) where: Base-Base interactions energy: -62.704 where: short stacking energy: -22.975 Base-Backbone interact. energy: -0.003 local terms energy: -26.633391 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.196 flat angles P-C4'-P energy: -1.931 tors. eta vs tors. theta energy: -2.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -90.511046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.511046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.511046 (E_RNA) where: Base-Base interactions energy: -68.091 where: short stacking energy: -26.275 Base-Backbone interact. energy: -0.003 local terms energy: -22.417060 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.412 flat angles P-C4'-P energy: -1.772 tors. eta vs tors. theta energy: -4.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -79.842418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.842418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.842418 (E_RNA) where: Base-Base interactions energy: -60.085 where: short stacking energy: -19.407 Base-Backbone interact. energy: -0.018 local terms energy: -19.738841 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -3.059 flat angles P-C4'-P energy: 1.071 tors. eta vs tors. theta energy: -3.882 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: 5, replica: 5 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -52.041986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.041986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.041986 (E_RNA) where: Base-Base interactions energy: -23.701 where: short stacking energy: -23.701 Base-Backbone interact. energy: -0.000 local terms energy: -28.340996 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -3.496 tors. eta vs tors. theta energy: -4.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -47.003764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.003764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.003764 (E_RNA) where: Base-Base interactions energy: -22.665 where: short stacking energy: -22.665 Base-Backbone interact. energy: -0.100 local terms energy: -24.238395 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -2.438 tors. eta vs tors. theta energy: -3.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -52.298247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.298247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.298247 (E_RNA) where: Base-Base interactions energy: -25.421 where: short stacking energy: -25.421 Base-Backbone interact. energy: -0.030 local terms energy: -26.847074 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -3.758 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: 243 Temperature: 1.250000 Total energy: -46.001803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.001803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.001803 (E_RNA) where: Base-Base interactions energy: -20.720 where: short stacking energy: -17.446 Base-Backbone interact. energy: -0.011 local terms energy: -25.271058 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -2.009 tors. eta vs tors. theta energy: -6.435 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: 9, replica: 3 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -36.127434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.127434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.127434 (E_RNA) where: Base-Base interactions energy: -18.777 where: short stacking energy: -14.958 Base-Backbone interact. energy: -1.457 local terms energy: -15.892990 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: 1.785 tors. eta vs tors. theta energy: 0.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -50.067981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.067981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.067981 (E_RNA) where: Base-Base interactions energy: -25.346 where: short stacking energy: -25.346 Base-Backbone interact. energy: -0.004 local terms energy: -24.718618 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -2.917 tors. eta vs tors. theta energy: -5.520 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: 7 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -98.570016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.570016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.570016 (E_RNA) where: Base-Base interactions energy: -74.226 where: short stacking energy: -28.236 Base-Backbone interact. energy: -0.016 local terms energy: -24.328526 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -0.482 tors. eta vs tors. theta energy: -4.112 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: 9 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -92.354641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.354641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.354641 (E_RNA) where: Base-Base interactions energy: -68.542 where: short stacking energy: -25.495 Base-Backbone interact. energy: -0.011 local terms energy: -23.801750 where: bonds (distance) C4'-P energy: -5.111 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -4.232 flat angles P-C4'-P energy: -0.340 tors. eta vs tors. theta energy: -7.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -81.814785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.814785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.814785 (E_RNA) where: Base-Base interactions energy: -60.378 where: short stacking energy: -22.483 Base-Backbone interact. energy: 0.791 local terms energy: -22.228142 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -0.313 tors. eta vs tors. theta energy: -3.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -85.389903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.389903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.389903 (E_RNA) where: Base-Base interactions energy: -63.701 where: short stacking energy: -21.825 Base-Backbone interact. energy: 0.301 local terms energy: -21.989934 where: bonds (distance) C4'-P energy: -5.778 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -0.938 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: 5, replica: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -54.439294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.439294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.439294 (E_RNA) where: Base-Base interactions energy: -34.064 where: short stacking energy: -22.066 Base-Backbone interact. energy: -0.158 local terms energy: -20.217037 where: bonds (distance) C4'-P energy: -3.828 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -3.176 tors. eta vs tors. theta energy: -2.305 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: 5 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -53.408963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.408963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.408963 (E_RNA) where: Base-Base interactions energy: -26.937 where: short stacking energy: -24.518 Base-Backbone interact. energy: -0.000 local terms energy: -26.471851 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -2.179 tors. eta vs tors. theta energy: -5.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -44.040772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.040772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.040772 (E_RNA) where: Base-Base interactions energy: -19.027 where: short stacking energy: -19.027 Base-Backbone interact. energy: 1.281 local terms energy: -26.295564 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -5.038 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -44.159322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.159322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.159322 (E_RNA) where: Base-Base interactions energy: -16.818 where: short stacking energy: -16.818 Base-Backbone interact. energy: -0.001 local terms energy: -27.340435 where: bonds (distance) C4'-P energy: -3.984 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -4.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -40.316242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.316242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.316242 (E_RNA) where: Base-Base interactions energy: -17.951 where: short stacking energy: -17.951 Base-Backbone interact. energy: -0.000 local terms energy: -22.364717 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.158 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -1.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -39.590660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.590660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.590660 (E_RNA) where: Base-Base interactions energy: -15.889 where: short stacking energy: -15.889 Base-Backbone interact. energy: -0.056 local terms energy: -23.646292 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -4.701 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: 7 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -97.577365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.577365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.577365 (E_RNA) where: Base-Base interactions energy: -76.391 where: short stacking energy: -30.624 Base-Backbone interact. energy: -0.328 local terms energy: -20.858437 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -4.507 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -0.382 tors. eta vs tors. theta energy: -4.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -84.311364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.311364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.311364 (E_RNA) where: Base-Base interactions energy: -63.270 where: short stacking energy: -24.380 Base-Backbone interact. energy: -0.000 local terms energy: -21.041570 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -0.898 tors. eta vs tors. theta energy: -4.279 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: 9 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -86.255151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.255151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.255151 (E_RNA) where: Base-Base interactions energy: -64.561 where: short stacking energy: -24.613 Base-Backbone interact. energy: -0.001 local terms energy: -21.693610 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -0.516 tors. eta vs tors. theta energy: -2.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -77.609496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.609496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.609496 (E_RNA) where: Base-Base interactions energy: -57.725 where: short stacking energy: -21.806 Base-Backbone interact. energy: -0.003 local terms energy: -19.881483 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -2.191 tors. eta vs tors. theta energy: -2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -74.932839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.932839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.932839 (E_RNA) where: Base-Base interactions energy: -49.944 where: short stacking energy: -21.852 Base-Backbone interact. energy: -0.011 local terms energy: -24.977847 where: bonds (distance) C4'-P energy: -6.159 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: -4.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -41.105234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.105234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.105234 (E_RNA) where: Base-Base interactions energy: -17.509 where: short stacking energy: -17.328 Base-Backbone interact. energy: -0.099 local terms energy: -23.497171 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -4.804 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: -1.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -49.389128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.389128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.389128 (E_RNA) where: Base-Base interactions energy: -26.919 where: short stacking energy: -6.527 Base-Backbone interact. energy: 1.801 local terms energy: -24.271554 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -71.382130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.382130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.382130 (E_RNA) where: Base-Base interactions energy: -51.087 where: short stacking energy: -18.411 Base-Backbone interact. energy: -0.091 local terms energy: -20.204172 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -1.818 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -1.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -42.167389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.167389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.167389 (E_RNA) where: Base-Base interactions energy: -17.424 where: short stacking energy: -17.424 Base-Backbone interact. energy: -0.000 local terms energy: -24.743783 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -5.301 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -2.555 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: 10, replica: 3 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -38.150864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.150864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.150864 (E_RNA) where: Base-Base interactions energy: -11.871 where: short stacking energy: -11.871 Base-Backbone interact. energy: -0.001 local terms energy: -26.278356 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -5.767 tors. eta vs tors. theta energy: -1.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -83.840852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.840852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.840852 (E_RNA) where: Base-Base interactions energy: -53.658 where: short stacking energy: -21.795 Base-Backbone interact. energy: -0.005 local terms energy: -30.178292 where: bonds (distance) C4'-P energy: -6.688 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -5.110 tors. eta vs tors. theta energy: -6.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -94.411283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.411283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.411283 (E_RNA) where: Base-Base interactions energy: -76.187 where: short stacking energy: -28.706 Base-Backbone interact. energy: 0.038 local terms energy: -18.262126 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -6.124 flat angles P-C4'-P energy: 2.899 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -81.245692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.245692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.245692 (E_RNA) where: Base-Base interactions energy: -59.080 where: short stacking energy: -25.274 Base-Backbone interact. energy: -0.000 local terms energy: -22.165593 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -4.657 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -91.727212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.727212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.727212 (E_RNA) where: Base-Base interactions energy: -67.591 where: short stacking energy: -24.189 Base-Backbone interact. energy: -0.006 local terms energy: -24.129902 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.232 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -2.240 tors. eta vs tors. theta energy: -1.873 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: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -77.198191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.198191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.198191 (E_RNA) where: Base-Base interactions energy: -54.155 where: short stacking energy: -25.611 Base-Backbone interact. energy: -0.000 local terms energy: -23.042801 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -3.550 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: -4.721 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: 6, replica: 4 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -78.808143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.808143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.808143 (E_RNA) where: Base-Base interactions energy: -55.064 where: short stacking energy: -18.393 Base-Backbone interact. energy: -0.010 local terms energy: -23.734600 where: bonds (distance) C4'-P energy: -5.413 bonds (distance) P-C4' energy: -5.293 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -44.529760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.529760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.529760 (E_RNA) where: Base-Base interactions energy: -25.209 where: short stacking energy: -14.119 Base-Backbone interact. energy: -0.004 local terms energy: -19.316670 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -1.649 tors. eta vs tors. theta energy: 0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -38.951967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.951967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.951967 (E_RNA) where: Base-Base interactions energy: -17.340 where: short stacking energy: -17.340 Base-Backbone interact. energy: -0.005 local terms energy: -21.607002 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -0.091 tors. eta vs tors. theta energy: -3.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -41.802427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.802427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.802427 (E_RNA) where: Base-Base interactions energy: -24.254 where: short stacking energy: -15.602 Base-Backbone interact. energy: 0.473 local terms energy: -18.021560 where: bonds (distance) C4'-P energy: 0.176 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: -1.707 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: 246 Temperature: 1.350000 Total energy: -44.227777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.227777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.227777 (E_RNA) where: Base-Base interactions energy: -18.918 where: short stacking energy: -14.235 Base-Backbone interact. energy: -0.075 local terms energy: -25.235153 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -2.912 tors. eta vs tors. theta energy: -2.437 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: 10 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -86.696582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.696582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.696582 (E_RNA) where: Base-Base interactions energy: -62.910 where: short stacking energy: -23.233 Base-Backbone interact. energy: -0.082 local terms energy: -23.704591 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -0.603 tors. eta vs tors. theta energy: -5.241 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: 7 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -92.436302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.436302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.436302 (E_RNA) where: Base-Base interactions energy: -70.533 where: short stacking energy: -25.447 Base-Backbone interact. energy: -0.029 local terms energy: -21.874107 where: bonds (distance) C4'-P energy: -3.786 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -1.306 tors. eta vs tors. theta energy: -4.144 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: 247 Temperature: 1.000000 Total energy: -84.176124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.176124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.176124 (E_RNA) where: Base-Base interactions energy: -53.839 where: short stacking energy: -23.260 Base-Backbone interact. energy: -0.001 local terms energy: -30.336548 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -6.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -75.591850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.591850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.591850 (E_RNA) where: Base-Base interactions energy: -56.263 where: short stacking energy: -17.301 Base-Backbone interact. energy: -0.034 local terms energy: -19.294807 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -3.182 flat angles P-C4'-P energy: -1.687 tors. eta vs tors. theta energy: -2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -85.349702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.349702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.349702 (E_RNA) where: Base-Base interactions energy: -60.612 where: short stacking energy: -24.829 Base-Backbone interact. energy: -0.001 local terms energy: -24.736120 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -3.175 flat angles P-C4'-P energy: -2.969 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: 6, replica: 4 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -77.272512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.272512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.272512 (E_RNA) where: Base-Base interactions energy: -50.616 where: short stacking energy: -23.959 Base-Backbone interact. energy: -0.001 local terms energy: -26.655504 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -5.520 tors. eta vs tors. theta energy: -4.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -56.389542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.389542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.389542 (E_RNA) where: Base-Base interactions energy: -28.013 where: short stacking energy: -21.375 Base-Backbone interact. energy: -0.156 local terms energy: -28.221039 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -5.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -43.383676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.383676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.383676 (E_RNA) where: Base-Base interactions energy: -21.779 where: short stacking energy: -21.779 Base-Backbone interact. energy: -0.095 local terms energy: -21.509773 where: bonds (distance) C4'-P energy: -2.247 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -2.459 flat angles P-C4'-P energy: -4.814 tors. eta vs tors. theta energy: -5.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -45.225938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.225938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.225938 (E_RNA) where: Base-Base interactions energy: -24.212 where: short stacking energy: -12.196 Base-Backbone interact. energy: -0.257 local terms energy: -20.756931 where: bonds (distance) C4'-P energy: -3.895 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: 0.617 tors. eta vs tors. theta energy: -2.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -47.341029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.341029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.341029 (E_RNA) where: Base-Base interactions energy: -22.379 where: short stacking energy: -22.379 Base-Backbone interact. energy: -0.001 local terms energy: -24.961403 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -6.735 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -1.229 tors. eta vs tors. theta energy: -7.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -95.252524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.252524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.252524 (E_RNA) where: Base-Base interactions energy: -69.874 where: short stacking energy: -23.040 Base-Backbone interact. energy: -0.027 local terms energy: -25.351441 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -0.146 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: 2, replica: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -88.619730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.619730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.619730 (E_RNA) where: Base-Base interactions energy: -59.921 where: short stacking energy: -22.703 Base-Backbone interact. energy: 0.343 local terms energy: -29.042028 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.991 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -1.158 tors. eta vs tors. theta energy: -7.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -73.994892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.994892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.994892 (E_RNA) where: Base-Base interactions energy: -52.911 where: short stacking energy: -20.296 Base-Backbone interact. energy: -0.000 local terms energy: -21.083379 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -5.216 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -2.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -82.140143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.140143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.140143 (E_RNA) where: Base-Base interactions energy: -55.131 where: short stacking energy: -20.290 Base-Backbone interact. energy: -0.000 local terms energy: -27.009240 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -4.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -81.007703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.007703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.007703 (E_RNA) where: Base-Base interactions energy: -53.346 where: short stacking energy: -24.681 Base-Backbone interact. energy: -0.002 local terms energy: -27.660245 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -3.548 tors. eta vs tors. theta energy: -3.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -76.971330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.971330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.971330 (E_RNA) where: Base-Base interactions energy: -49.527 where: short stacking energy: -21.035 Base-Backbone interact. energy: -0.005 local terms energy: -27.439071 where: bonds (distance) C4'-P energy: -5.881 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -4.635 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: 3 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -56.834645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.834645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.834645 (E_RNA) where: Base-Base interactions energy: -41.739 where: short stacking energy: -14.815 Base-Backbone interact. energy: -0.007 local terms energy: -15.088758 where: bonds (distance) C4'-P energy: -2.971 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -6.885 flat angles P-C4'-P energy: 0.013 tors. eta vs tors. theta energy: 0.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -44.752558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.752558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.752558 (E_RNA) where: Base-Base interactions energy: -20.142 where: short stacking energy: -18.021 Base-Backbone interact. energy: -0.101 local terms energy: -24.509875 where: bonds (distance) C4'-P energy: -2.440 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.685 flat angles P-C4'-P energy: -5.213 tors. eta vs tors. theta energy: -3.056 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: 248 Temperature: 1.300000 Total energy: -44.456585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.456585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.456585 (E_RNA) where: Base-Base interactions energy: -19.386 where: short stacking energy: -14.915 Base-Backbone interact. energy: -0.001 local terms energy: -25.069763 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -4.737 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -5.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -47.574828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.574828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.574828 (E_RNA) where: Base-Base interactions energy: -25.617 where: short stacking energy: -9.738 Base-Backbone interact. energy: -0.093 local terms energy: -21.864787 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.143 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -0.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -98.123264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.123264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.123264 (E_RNA) where: Base-Base interactions energy: -74.415 where: short stacking energy: -28.180 Base-Backbone interact. energy: -0.253 local terms energy: -23.455604 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: 1.056 tors. eta vs tors. theta energy: -4.003 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: 10 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -82.259815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.259815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.259815 (E_RNA) where: Base-Base interactions energy: -54.739 where: short stacking energy: -21.061 Base-Backbone interact. energy: -0.000 local terms energy: -27.520204 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.301 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -4.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -74.576269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.576269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.576269 (E_RNA) where: Base-Base interactions energy: -48.528 where: short stacking energy: -20.383 Base-Backbone interact. energy: -0.731 local terms energy: -25.316626 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -3.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -81.606293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.606293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.606293 (E_RNA) where: Base-Base interactions energy: -57.010 where: short stacking energy: -21.786 Base-Backbone interact. energy: -0.016 local terms energy: -24.579895 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -2.982 flat angles P-C4'-P energy: -1.725 tors. eta vs tors. theta energy: -6.658 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: 1 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -82.717766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.717766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.717766 (E_RNA) where: Base-Base interactions energy: -59.264 where: short stacking energy: -21.222 Base-Backbone interact. energy: -0.004 local terms energy: -23.449414 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: 0.919 tors. eta vs tors. theta energy: -5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -49.009586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.009586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.009586 (E_RNA) where: Base-Base interactions energy: -22.282 where: short stacking energy: -22.282 Base-Backbone interact. energy: -0.095 local terms energy: -26.632535 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.065 flat angles P-C4'-P energy: -3.985 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: 7, replica: 9 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -74.146559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.146559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.146559 (E_RNA) where: Base-Base interactions energy: -49.953 where: short stacking energy: -16.482 Base-Backbone interact. energy: -0.161 local terms energy: -24.033144 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -1.644 tors. eta vs tors. theta energy: -2.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -38.223063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.223063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.223063 (E_RNA) where: Base-Base interactions energy: -19.892 where: short stacking energy: -19.892 Base-Backbone interact. energy: -0.009 local terms energy: -18.322770 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -2.538 tors. eta vs tors. theta energy: 0.017 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: 8 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -41.704165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.704165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.704165 (E_RNA) where: Base-Base interactions energy: -18.564 where: short stacking energy: -16.926 Base-Backbone interact. energy: -0.001 local terms energy: -23.138787 where: bonds (distance) C4'-P energy: -4.766 bonds (distance) P-C4' energy: -6.578 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -2.862 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: 5 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -46.864806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.864806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.864806 (E_RNA) where: Base-Base interactions energy: -28.488 where: short stacking energy: -9.391 Base-Backbone interact. energy: -0.000 local terms energy: -18.376431 where: bonds (distance) C4'-P energy: -4.374 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: 1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -81.456637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.456637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.456637 (E_RNA) where: Base-Base interactions energy: -49.938 where: short stacking energy: -15.771 Base-Backbone interact. energy: -0.292 local terms energy: -31.226430 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.135 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: -5.653 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: 250 Temperature: 0.950000 Total energy: -93.973335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.973335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.973335 (E_RNA) where: Base-Base interactions energy: -68.955 where: short stacking energy: -26.466 Base-Backbone interact. energy: -0.036 local terms energy: -24.982173 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: 0.981 tors. eta vs tors. theta energy: -5.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -78.950007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.950007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.950007 (E_RNA) where: Base-Base interactions energy: -51.794 where: short stacking energy: -19.035 Base-Backbone interact. energy: -0.939 local terms energy: -26.217425 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -2.476 tors. eta vs tors. theta energy: -5.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -79.879982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.879982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.879982 (E_RNA) where: Base-Base interactions energy: -51.381 where: short stacking energy: -19.005 Base-Backbone interact. energy: -0.001 local terms energy: -28.498527 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -6.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -75.951013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.951013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.951013 (E_RNA) where: Base-Base interactions energy: -50.426 where: short stacking energy: -20.822 Base-Backbone interact. energy: -0.000 local terms energy: -25.524994 where: bonds (distance) C4'-P energy: -6.150 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -3.002 tors. eta vs tors. theta energy: -3.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -42.324819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.324819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.324819 (E_RNA) where: Base-Base interactions energy: -20.210 where: short stacking energy: -13.509 Base-Backbone interact. energy: -0.021 local terms energy: -22.094518 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -5.087 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -3.212 tors. eta vs tors. theta energy: -2.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -41.472447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.472447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.472447 (E_RNA) where: Base-Base interactions energy: -17.490 where: short stacking energy: -17.490 Base-Backbone interact. energy: -0.000 local terms energy: -23.982714 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -5.376 flat angles C4'-P-C4' energy: -4.086 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -79.576395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.576395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.576395 (E_RNA) where: Base-Base interactions energy: -53.101 where: short stacking energy: -18.542 Base-Backbone interact. energy: -0.004 local terms energy: -26.470824 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -0.680 tors. eta vs tors. theta energy: -6.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -43.757815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.757815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.757815 (E_RNA) where: Base-Base interactions energy: -19.269 where: short stacking energy: -19.269 Base-Backbone interact. energy: -0.002 local terms energy: -24.486565 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -2.915 tors. eta vs tors. theta energy: -2.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -36.440522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.440522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.440522 (E_RNA) where: Base-Base interactions energy: -17.085 where: short stacking energy: -11.147 Base-Backbone interact. energy: -0.054 local terms energy: -19.301596 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -2.897 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: -1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -82.970209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.970209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.970209 (E_RNA) where: Base-Base interactions energy: -57.512 where: short stacking energy: -19.108 Base-Backbone interact. energy: -0.017 local terms energy: -25.441548 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -0.078 tors. eta vs tors. theta energy: -4.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -97.803051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.803051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.803051 (E_RNA) where: Base-Base interactions energy: -70.305 where: short stacking energy: -26.229 Base-Backbone interact. energy: -0.071 local terms energy: -27.426983 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.564 flat angles P-C4'-P energy: -1.103 tors. eta vs tors. theta energy: -6.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -80.094662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.094662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.094662 (E_RNA) where: Base-Base interactions energy: -51.791 where: short stacking energy: -22.559 Base-Backbone interact. energy: -0.005 local terms energy: -28.298845 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -4.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -79.956423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.956423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.956423 (E_RNA) where: Base-Base interactions energy: -53.946 where: short stacking energy: -24.802 Base-Backbone interact. energy: -0.002 local terms energy: -26.007835 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -3.363 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: 5, replica: 1 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -77.553733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.553733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.553733 (E_RNA) where: Base-Base interactions energy: -52.517 where: short stacking energy: -22.227 Base-Backbone interact. energy: -0.001 local terms energy: -25.035860 where: bonds (distance) C4'-P energy: -3.346 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: -5.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -40.528875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.528875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.528875 (E_RNA) where: Base-Base interactions energy: -14.424 where: short stacking energy: -14.424 Base-Backbone interact. energy: -0.000 local terms energy: -26.104834 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -3.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -46.338207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.338207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.338207 (E_RNA) where: Base-Base interactions energy: -19.388 where: short stacking energy: -13.860 Base-Backbone interact. energy: -0.041 local terms energy: -26.909445 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -43.537820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.537820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.537820 (E_RNA) where: Base-Base interactions energy: -19.066 where: short stacking energy: -19.066 Base-Backbone interact. energy: -0.263 local terms energy: -24.208685 where: bonds (distance) C4'-P energy: -4.469 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: -1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -73.969570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.969570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.969570 (E_RNA) where: Base-Base interactions energy: -51.256 where: short stacking energy: -24.239 Base-Backbone interact. energy: -0.004 local terms energy: -22.709916 where: bonds (distance) C4'-P energy: -3.951 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -38.620719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.620719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.620719 (E_RNA) where: Base-Base interactions energy: -16.675 where: short stacking energy: -16.675 Base-Backbone interact. energy: -0.608 local terms energy: -21.337412 where: bonds (distance) C4'-P energy: -3.836 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -2.088 tors. eta vs tors. theta energy: -0.948 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: 1, replica: 7 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -93.362908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.362908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.362908 (E_RNA) where: Base-Base interactions energy: -70.271 where: short stacking energy: -28.681 Base-Backbone interact. energy: -0.096 local terms energy: -22.995342 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.332 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -1.479 tors. eta vs tors. theta energy: -3.099 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: 10 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -88.691722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.691722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.691722 (E_RNA) where: Base-Base interactions energy: -62.390 where: short stacking energy: -20.980 Base-Backbone interact. energy: -0.054 local terms energy: -26.248004 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.860 flat angles P-C4'-P energy: -1.504 tors. eta vs tors. theta energy: -6.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -81.631483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.631483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.631483 (E_RNA) where: Base-Base interactions energy: -53.121 where: short stacking energy: -23.246 Base-Backbone interact. energy: 0.189 local terms energy: -28.700315 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -6.034 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: 4, replica: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -81.415400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.415400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.415400 (E_RNA) where: Base-Base interactions energy: -54.587 where: short stacking energy: -22.643 Base-Backbone interact. energy: -0.003 local terms energy: -26.825726 where: bonds (distance) C4'-P energy: -4.387 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.453 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -5.528 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: 1 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -78.152390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.152390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.152390 (E_RNA) where: Base-Base interactions energy: -51.640 where: short stacking energy: -21.301 Base-Backbone interact. energy: -0.001 local terms energy: -26.511571 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -7.157 flat angles P-C4'-P energy: -2.572 tors. eta vs tors. theta energy: -2.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -49.721532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.721532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.721532 (E_RNA) where: Base-Base interactions energy: -24.206 where: short stacking energy: -24.206 Base-Backbone interact. energy: -0.156 local terms energy: -25.359521 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -3.458 tors. eta vs tors. theta energy: -3.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -48.476140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.476140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.476140 (E_RNA) where: Base-Base interactions energy: -28.810 where: short stacking energy: -21.912 Base-Backbone interact. energy: -0.000 local terms energy: -19.666264 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -3.412 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -2.732 tors. eta vs tors. theta energy: -4.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -49.532897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.532897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.532897 (E_RNA) where: Base-Base interactions energy: -21.307 where: short stacking energy: -21.307 Base-Backbone interact. energy: -0.026 local terms energy: -28.199332 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -4.718 tors. eta vs tors. theta energy: -4.569 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: 9, replica: 5 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -45.769127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.769127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.769127 (E_RNA) where: Base-Base interactions energy: -17.459 where: short stacking energy: -17.459 Base-Backbone interact. energy: -0.000 local terms energy: -28.309810 where: bonds (distance) C4'-P energy: -4.784 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: -6.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -70.739918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.739918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.739918 (E_RNA) where: Base-Base interactions energy: -46.380 where: short stacking energy: -21.762 Base-Backbone interact. energy: -0.000 local terms energy: -24.359633 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -1.450 tors. eta vs tors. theta energy: -5.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -85.574694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.574694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.574694 (E_RNA) where: Base-Base interactions energy: -57.777 where: short stacking energy: -22.487 Base-Backbone interact. energy: -0.084 local terms energy: -27.712760 where: bonds (distance) C4'-P energy: -7.002 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -1.832 tors. eta vs tors. theta energy: -5.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -86.861137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.861137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.861137 (E_RNA) where: Base-Base interactions energy: -61.928 where: short stacking energy: -23.204 Base-Backbone interact. energy: -0.670 local terms energy: -24.262587 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -5.050 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -1.479 tors. eta vs tors. theta energy: -4.084 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: 10 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -90.885352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.885352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.885352 (E_RNA) where: Base-Base interactions energy: -63.472 where: short stacking energy: -24.994 Base-Backbone interact. energy: -0.001 local terms energy: -27.412009 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -2.688 tors. eta vs tors. theta energy: -6.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -63.259922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.259922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.259922 (E_RNA) where: Base-Base interactions energy: -30.962 where: short stacking energy: -30.962 Base-Backbone interact. energy: -0.000 local terms energy: -32.297560 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -5.264 tors. eta vs tors. theta energy: -8.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -86.196454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.196454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.196454 (E_RNA) where: Base-Base interactions energy: -66.809 where: short stacking energy: -26.544 Base-Backbone interact. energy: -0.012 local terms energy: -19.375319 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: 2.221 tors. eta vs tors. theta energy: -3.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -58.993685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.993685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.993685 (E_RNA) where: Base-Base interactions energy: -29.532 where: short stacking energy: -23.543 Base-Backbone interact. energy: -0.591 local terms energy: -28.870308 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -6.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -42.672615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.672615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.672615 (E_RNA) where: Base-Base interactions energy: -18.197 where: short stacking energy: -18.197 Base-Backbone interact. energy: -0.002 local terms energy: -24.473549 where: bonds (distance) C4'-P energy: -2.407 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -5.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -38.383744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.383744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.383744 (E_RNA) where: Base-Base interactions energy: -16.985 where: short stacking energy: -16.985 Base-Backbone interact. energy: -0.000 local terms energy: -21.398777 where: bonds (distance) C4'-P energy: -4.100 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -3.436 tors. eta vs tors. theta energy: -2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -43.041537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.041537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.041537 (E_RNA) where: Base-Base interactions energy: -21.567 where: short stacking energy: -6.788 Base-Backbone interact. energy: -0.047 local terms energy: -21.427430 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -5.507 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -35.042025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.042025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.042025 (E_RNA) where: Base-Base interactions energy: -13.680 where: short stacking energy: -13.680 Base-Backbone interact. energy: -0.103 local terms energy: -21.258787 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -3.761 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -83.808761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.808761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.808761 (E_RNA) where: Base-Base interactions energy: -62.969 where: short stacking energy: -19.866 Base-Backbone interact. energy: -0.024 local terms energy: -20.815572 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: 1.020 tors. eta vs tors. theta energy: -2.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -99.966778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.966778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.966778 (E_RNA) where: Base-Base interactions energy: -74.972 where: short stacking energy: -29.705 Base-Backbone interact. energy: -0.072 local terms energy: -24.923146 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -0.192 tors. eta vs tors. theta energy: -6.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -88.528580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.528580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.528580 (E_RNA) where: Base-Base interactions energy: -59.920 where: short stacking energy: -20.282 Base-Backbone interact. energy: -0.001 local terms energy: -28.607681 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -2.136 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -54.691999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.691999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.691999 (E_RNA) where: Base-Base interactions energy: -27.773 where: short stacking energy: -27.773 Base-Backbone interact. energy: -0.000 local terms energy: -26.919276 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -5.681 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -3.512 tors. eta vs tors. theta energy: -6.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -81.117246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.117246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.117246 (E_RNA) where: Base-Base interactions energy: -55.107 where: short stacking energy: -20.073 Base-Backbone interact. energy: -0.000 local terms energy: -26.010450 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.000 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -51.594861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.594861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.594861 (E_RNA) where: Base-Base interactions energy: -22.518 where: short stacking energy: -22.518 Base-Backbone interact. energy: -0.000 local terms energy: -29.076714 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -7.003 flat angles P-C4'-P energy: -3.605 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: 7, replica: 5 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -49.510775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.510775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.510775 (E_RNA) where: Base-Base interactions energy: -24.241 where: short stacking energy: -17.706 Base-Backbone interact. energy: -0.000 local terms energy: -25.269847 where: bonds (distance) C4'-P energy: -4.730 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -5.161 tors. eta vs tors. theta energy: -2.438 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: 8, replica: 6 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -44.044513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.044513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.044513 (E_RNA) where: Base-Base interactions energy: -20.835 where: short stacking energy: -18.025 Base-Backbone interact. energy: -0.108 local terms energy: -23.101135 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -2.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -31.113455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.113455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.113455 (E_RNA) where: Base-Base interactions energy: -9.425 where: short stacking energy: -9.425 Base-Backbone interact. energy: -0.109 local terms energy: -21.579355 where: bonds (distance) C4'-P energy: -4.825 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: 0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -45.741401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.741401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.741401 (E_RNA) where: Base-Base interactions energy: -18.678 where: short stacking energy: -18.678 Base-Backbone interact. energy: -0.000 local terms energy: -27.063310 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -4.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -82.013822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.013822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.013822 (E_RNA) where: Base-Base interactions energy: -55.646 where: short stacking energy: -21.622 Base-Backbone interact. energy: -0.001 local terms energy: -26.367383 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -2.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -79.845699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.845699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.845699 (E_RNA) where: Base-Base interactions energy: -56.589 where: short stacking energy: -20.115 Base-Backbone interact. energy: 0.203 local terms energy: -23.460356 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -93.283887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.283887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.283887 (E_RNA) where: Base-Base interactions energy: -69.692 where: short stacking energy: -27.807 Base-Backbone interact. energy: -0.475 local terms energy: -23.117531 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -0.050 tors. eta vs tors. theta energy: -4.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -85.674369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.674369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.674369 (E_RNA) where: Base-Base interactions energy: -60.810 where: short stacking energy: -25.561 Base-Backbone interact. energy: -0.003 local terms energy: -24.862297 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -3.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -60.045329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.045329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.045329 (E_RNA) where: Base-Base interactions energy: -29.611 where: short stacking energy: -29.611 Base-Backbone interact. energy: -0.000 local terms energy: -30.434381 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -3.217 tors. eta vs tors. theta energy: -8.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -47.456663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.456663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.456663 (E_RNA) where: Base-Base interactions energy: -20.080 where: short stacking energy: -20.080 Base-Backbone interact. energy: -0.003 local terms energy: -27.373690 where: bonds (distance) C4'-P energy: -3.740 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -3.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -43.536075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.536075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.536075 (E_RNA) where: Base-Base interactions energy: -21.868 where: short stacking energy: -21.225 Base-Backbone interact. energy: -0.053 local terms energy: -21.614506 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -1.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -39.291059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.291059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.291059 (E_RNA) where: Base-Base interactions energy: -17.664 where: short stacking energy: -17.664 Base-Backbone interact. energy: -0.000 local terms energy: -21.626745 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -3.520 flat angles C4'-P-C4' energy: -5.719 flat angles P-C4'-P energy: -3.711 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -42.544460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.544460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.544460 (E_RNA) where: Base-Base interactions energy: -18.667 where: short stacking energy: -18.667 Base-Backbone interact. energy: -0.000 local terms energy: -23.876897 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -2.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -39.373375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.373375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.373375 (E_RNA) where: Base-Base interactions energy: -18.315 where: short stacking energy: -18.315 Base-Backbone interact. energy: -0.045 local terms energy: -21.013472 where: bonds (distance) C4'-P energy: -3.144 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -3.916 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: 1, replica: 10 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -82.520328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.520328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.520328 (E_RNA) where: Base-Base interactions energy: -54.227 where: short stacking energy: -24.636 Base-Backbone interact. energy: -0.007 local terms energy: -28.285599 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -2.501 tors. eta vs tors. theta energy: -5.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -85.097640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.097640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.097640 (E_RNA) where: Base-Base interactions energy: -67.484 where: short stacking energy: -27.717 Base-Backbone interact. energy: -0.038 local terms energy: -17.575511 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -7.023 flat angles C4'-P-C4' energy: -2.609 flat angles P-C4'-P energy: 1.913 tors. eta vs tors. theta energy: -4.684 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: 4 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -79.829205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.829205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.829205 (E_RNA) where: Base-Base interactions energy: -53.952 where: short stacking energy: -23.742 Base-Backbone interact. energy: -0.003 local terms energy: -25.874678 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -4.079 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -6.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -84.974815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.974815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.974815 (E_RNA) where: Base-Base interactions energy: -58.706 where: short stacking energy: -18.942 Base-Backbone interact. energy: -0.035 local terms energy: -26.234160 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -1.483 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -7.054 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: 5, replica: 5 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -59.966115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.966115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.966115 (E_RNA) where: Base-Base interactions energy: -34.286 where: short stacking energy: -27.881 Base-Backbone interact. energy: -0.727 local terms energy: -24.953844 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.771 flat angles P-C4'-P energy: -2.313 tors. eta vs tors. theta energy: -4.134 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: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -51.256694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.256694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.256694 (E_RNA) where: Base-Base interactions energy: -20.255 where: short stacking energy: -20.255 Base-Backbone interact. energy: -0.000 local terms energy: -31.001229 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -53.425191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.425191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.425191 (E_RNA) where: Base-Base interactions energy: -23.617 where: short stacking energy: -23.617 Base-Backbone interact. energy: -0.000 local terms energy: -29.808527 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -4.143 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -8.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -43.339094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.339094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.339094 (E_RNA) where: Base-Base interactions energy: -24.792 where: short stacking energy: -14.071 Base-Backbone interact. energy: 0.672 local terms energy: -19.219111 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -2.308 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: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -37.764010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.764010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.764010 (E_RNA) where: Base-Base interactions energy: -16.316 where: short stacking energy: -16.316 Base-Backbone interact. energy: -0.097 local terms energy: -21.351224 where: bonds (distance) C4'-P energy: -5.425 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.425 flat angles P-C4'-P energy: -2.558 tors. eta vs tors. theta energy: -2.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -37.148335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.148335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.148335 (E_RNA) where: Base-Base interactions energy: -16.653 where: short stacking energy: -16.653 Base-Backbone interact. energy: -0.031 local terms energy: -20.464370 where: bonds (distance) C4'-P energy: -4.155 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -4.833 tors. eta vs tors. theta energy: -1.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -84.285326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.285326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.285326 (E_RNA) where: Base-Base interactions energy: -53.892 where: short stacking energy: -23.268 Base-Backbone interact. energy: -0.015 local terms energy: -30.377619 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -5.771 tors. eta vs tors. theta energy: -4.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -94.036550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.036550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.036550 (E_RNA) where: Base-Base interactions energy: -67.118 where: short stacking energy: -25.692 Base-Backbone interact. energy: -0.002 local terms energy: -26.916398 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -2.033 tors. eta vs tors. theta energy: -3.952 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: 7 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -85.175755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.175755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.175755 (E_RNA) where: Base-Base interactions energy: -61.773 where: short stacking energy: -20.779 Base-Backbone interact. energy: -0.242 local terms energy: -23.160640 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -0.437 tors. eta vs tors. theta energy: -3.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -77.807125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.807125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.807125 (E_RNA) where: Base-Base interactions energy: -51.181 where: short stacking energy: -20.160 Base-Backbone interact. energy: -0.095 local terms energy: -26.530223 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -2.584 tors. eta vs tors. theta energy: -4.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -51.069999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.069999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.069999 (E_RNA) where: Base-Base interactions energy: -22.603 where: short stacking energy: -22.603 Base-Backbone interact. energy: -0.007 local terms energy: -28.459972 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: -4.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -42.831091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.831091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.831091 (E_RNA) where: Base-Base interactions energy: -19.629 where: short stacking energy: -19.629 Base-Backbone interact. energy: -0.000 local terms energy: -23.202102 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -0.816 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: 7, replica: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -60.176165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.176165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.176165 (E_RNA) where: Base-Base interactions energy: -35.334 where: short stacking energy: -22.785 Base-Backbone interact. energy: -0.000 local terms energy: -24.842120 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -5.946 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: -3.572 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: 8, replica: 8 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -43.907732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.907732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.907732 (E_RNA) where: Base-Base interactions energy: -18.834 where: short stacking energy: -18.834 Base-Backbone interact. energy: -0.000 local terms energy: -25.073511 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.618 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -1.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -45.040572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.040572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.040572 (E_RNA) where: Base-Base interactions energy: -18.732 where: short stacking energy: -18.732 Base-Backbone interact. energy: -0.025 local terms energy: -26.284131 where: bonds (distance) C4'-P energy: -4.768 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -4.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -38.507791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.507791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.507791 (E_RNA) where: Base-Base interactions energy: -14.850 where: short stacking energy: -7.495 Base-Backbone interact. energy: -0.888 local terms energy: -22.769233 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -0.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -87.651895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.651895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.651895 (E_RNA) where: Base-Base interactions energy: -63.735 where: short stacking energy: -22.638 Base-Backbone interact. energy: -0.001 local terms energy: -23.915255 where: bonds (distance) C4'-P energy: -4.989 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -2.817 tors. eta vs tors. theta energy: -4.019 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: 2, replica: 4 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -67.112784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.112784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.112784 (E_RNA) where: Base-Base interactions energy: -40.251 where: short stacking energy: -17.309 Base-Backbone interact. energy: -0.048 local terms energy: -26.813335 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -5.156 tors. eta vs tors. theta energy: -2.189 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: 2 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -90.023783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.023783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.023783 (E_RNA) where: Base-Base interactions energy: -65.556 where: short stacking energy: -25.316 Base-Backbone interact. energy: -0.930 local terms energy: -23.537580 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -0.411 tors. eta vs tors. theta energy: -4.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -89.053121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.053121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.053121 (E_RNA) where: Base-Base interactions energy: -62.361 where: short stacking energy: -24.227 Base-Backbone interact. energy: -0.003 local terms energy: -26.689018 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: -4.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -55.871340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.871340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.871340 (E_RNA) where: Base-Base interactions energy: -34.332 where: short stacking energy: -15.491 Base-Backbone interact. energy: -0.002 local terms energy: -21.537390 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -2.699 tors. eta vs tors. theta energy: -2.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -47.603113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.603113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.603113 (E_RNA) where: Base-Base interactions energy: -21.569 where: short stacking energy: -21.569 Base-Backbone interact. energy: -0.001 local terms energy: -26.033217 where: bonds (distance) C4'-P energy: -5.190 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -3.690 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: 7, replica: 8 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -45.815734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.815734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.815734 (E_RNA) where: Base-Base interactions energy: -20.899 where: short stacking energy: -20.899 Base-Backbone interact. energy: -0.012 local terms energy: -24.904794 where: bonds (distance) C4'-P energy: -1.261 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: -4.995 tors. eta vs tors. theta energy: -5.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -50.117892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.117892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.117892 (E_RNA) where: Base-Base interactions energy: -23.068 where: short stacking energy: -23.068 Base-Backbone interact. energy: -0.000 local terms energy: -27.050009 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -5.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -36.179693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.179693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.179693 (E_RNA) where: Base-Base interactions energy: -13.328 where: short stacking energy: -13.328 Base-Backbone interact. energy: -0.000 local terms energy: -22.851649 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -2.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -43.456461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.456461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.456461 (E_RNA) where: Base-Base interactions energy: -18.044 where: short stacking energy: -18.044 Base-Backbone interact. energy: -0.087 local terms energy: -25.324772 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -1.562 tors. eta vs tors. theta energy: -4.844 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: 1, replica: 10 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -86.674182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.674182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.674182 (E_RNA) where: Base-Base interactions energy: -61.559 where: short stacking energy: -18.606 Base-Backbone interact. energy: -0.005 local terms energy: -25.110365 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -0.017 tors. eta vs tors. theta energy: -5.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -88.674826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.674826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.674826 (E_RNA) where: Base-Base interactions energy: -65.486 where: short stacking energy: -24.010 Base-Backbone interact. energy: -0.032 local terms energy: -23.157119 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -5.057 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -0.404 tors. eta vs tors. theta energy: -3.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -51.153825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.153825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.153825 (E_RNA) where: Base-Base interactions energy: -30.780 where: short stacking energy: -17.685 Base-Backbone interact. energy: -0.150 local terms energy: -20.224590 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -1.934 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -80.557859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.557859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.557859 (E_RNA) where: Base-Base interactions energy: -57.022 where: short stacking energy: -21.404 Base-Backbone interact. energy: -0.031 local terms energy: -23.505090 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -1.617 tors. eta vs tors. theta energy: -3.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -74.599526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.599526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.599526 (E_RNA) where: Base-Base interactions energy: -50.680 where: short stacking energy: -18.943 Base-Backbone interact. energy: -0.089 local terms energy: -23.831198 where: bonds (distance) C4'-P energy: -4.544 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -2.151 tors. eta vs tors. theta energy: -2.861 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: 8 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -50.990938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.990938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.990938 (E_RNA) where: Base-Base interactions energy: -26.233 where: short stacking energy: -25.617 Base-Backbone interact. energy: -0.001 local terms energy: -24.756735 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -1.967 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -7.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -58.686323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.686323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.686323 (E_RNA) where: Base-Base interactions energy: -27.094 where: short stacking energy: -27.094 Base-Backbone interact. energy: -0.000 local terms energy: -31.592401 where: bonds (distance) C4'-P energy: -4.936 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: -5.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -45.526028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.526028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.526028 (E_RNA) where: Base-Base interactions energy: -20.568 where: short stacking energy: -20.568 Base-Backbone interact. energy: -0.002 local terms energy: -24.955545 where: bonds (distance) C4'-P energy: -5.889 bonds (distance) P-C4' energy: -2.209 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -6.244 tors. eta vs tors. theta energy: -4.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -45.569739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.569739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.569739 (E_RNA) where: Base-Base interactions energy: -20.998 where: short stacking energy: -20.791 Base-Backbone interact. energy: -0.001 local terms energy: -24.570857 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.286 flat angles C4'-P-C4' energy: -7.119 flat angles P-C4'-P energy: -1.758 tors. eta vs tors. theta energy: -3.025 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: 3 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -44.626851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.626851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.626851 (E_RNA) where: Base-Base interactions energy: -18.069 where: short stacking energy: -18.069 Base-Backbone interact. energy: -0.000 local terms energy: -26.557917 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -5.091 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -4.796 tors. eta vs tors. theta energy: -4.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -83.333174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.333174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.333174 (E_RNA) where: Base-Base interactions energy: -59.719 where: short stacking energy: -22.623 Base-Backbone interact. energy: -0.030 local terms energy: -23.585048 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -2.381 tors. eta vs tors. theta energy: -5.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -82.717735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.717735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.717735 (E_RNA) where: Base-Base interactions energy: -54.434 where: short stacking energy: -19.891 Base-Backbone interact. energy: -0.080 local terms energy: -28.204120 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -1.812 tors. eta vs tors. theta energy: -5.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -90.580187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.580187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.580187 (E_RNA) where: Base-Base interactions energy: -67.996 where: short stacking energy: -23.805 Base-Backbone interact. energy: -0.046 local terms energy: -22.537627 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.565 flat angles C4'-P-C4' energy: -4.264 flat angles P-C4'-P energy: 1.781 tors. eta vs tors. theta energy: -7.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -56.671858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.671858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.671858 (E_RNA) where: Base-Base interactions energy: -29.671 where: short stacking energy: -29.671 Base-Backbone interact. energy: -0.000 local terms energy: -27.000452 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -3.164 tors. eta vs tors. theta energy: -8.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -52.259196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.259196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.259196 (E_RNA) where: Base-Base interactions energy: -25.031 where: short stacking energy: -25.031 Base-Backbone interact. energy: -0.001 local terms energy: -27.227096 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -5.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -75.910686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.910686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.910686 (E_RNA) where: Base-Base interactions energy: -52.401 where: short stacking energy: -20.195 Base-Backbone interact. energy: -0.018 local terms energy: -23.491616 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -3.259 tors. eta vs tors. theta energy: 0.515 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: 7, replica: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -44.010271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.010271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.010271 (E_RNA) where: Base-Base interactions energy: -18.989 where: short stacking energy: -18.989 Base-Backbone interact. energy: -0.000 local terms energy: -25.021064 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -2.330 tors. eta vs tors. theta energy: -4.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -43.466315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.466315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.466315 (E_RNA) where: Base-Base interactions energy: -16.854 where: short stacking energy: -16.854 Base-Backbone interact. energy: -0.015 local terms energy: -26.597791 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -3.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -49.666627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.666627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.666627 (E_RNA) where: Base-Base interactions energy: -26.477 where: short stacking energy: -7.661 Base-Backbone interact. energy: -0.133 local terms energy: -23.056780 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: 0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -43.030403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.030403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.030403 (E_RNA) where: Base-Base interactions energy: -18.737 where: short stacking energy: -18.737 Base-Backbone interact. energy: 0.120 local terms energy: -24.413819 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -2.074 tors. eta vs tors. theta energy: -2.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -83.049722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.049722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.049722 (E_RNA) where: Base-Base interactions energy: -55.721 where: short stacking energy: -27.090 Base-Backbone interact. energy: -0.320 local terms energy: -27.009426 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -2.324 tors. eta vs tors. theta energy: -5.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -84.537047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.537047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.537047 (E_RNA) where: Base-Base interactions energy: -64.405 where: short stacking energy: -24.420 Base-Backbone interact. energy: -0.021 local terms energy: -20.111439 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -0.645 tors. eta vs tors. theta energy: -1.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -85.532055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.532055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.532055 (E_RNA) where: Base-Base interactions energy: -60.293 where: short stacking energy: -27.610 Base-Backbone interact. energy: -0.001 local terms energy: -25.238433 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -7.556 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -3.313 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: 8 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -55.395142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.395142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.395142 (E_RNA) where: Base-Base interactions energy: -25.323 where: short stacking energy: -25.323 Base-Backbone interact. energy: -0.046 local terms energy: -30.026197 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -5.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -55.567233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.567233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.567233 (E_RNA) where: Base-Base interactions energy: -28.743 where: short stacking energy: -28.743 Base-Backbone interact. energy: -0.000 local terms energy: -26.823950 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -3.394 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: -8.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -79.600395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.600395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.600395 (E_RNA) where: Base-Base interactions energy: -62.153 where: short stacking energy: -21.939 Base-Backbone interact. energy: -0.007 local terms energy: -17.439895 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -3.319 flat angles P-C4'-P energy: -1.350 tors. eta vs tors. theta energy: -0.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -42.924922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.924922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.924922 (E_RNA) where: Base-Base interactions energy: -17.160 where: short stacking energy: -17.160 Base-Backbone interact. energy: -0.000 local terms energy: -25.764857 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -2.551 tors. eta vs tors. theta energy: -3.508 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: 3 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -38.707365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.707365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.707365 (E_RNA) where: Base-Base interactions energy: -14.133 where: short stacking energy: -14.133 Base-Backbone interact. energy: -0.004 local terms energy: -24.570237 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -4.461 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -52.204845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.204845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.204845 (E_RNA) where: Base-Base interactions energy: -30.280 where: short stacking energy: -17.952 Base-Backbone interact. energy: -0.000 local terms energy: -21.924065 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -2.469 tors. eta vs tors. theta energy: -0.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -44.031751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.031751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.031751 (E_RNA) where: Base-Base interactions energy: -19.951 where: short stacking energy: -19.951 Base-Backbone interact. energy: -0.077 local terms energy: -24.003777 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -89.053233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.053233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.053233 (E_RNA) where: Base-Base interactions energy: -65.436 where: short stacking energy: -24.058 Base-Backbone interact. energy: -0.208 local terms energy: -23.408957 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: 1.875 tors. eta vs tors. theta energy: -5.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -87.382243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.382243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.382243 (E_RNA) where: Base-Base interactions energy: -63.267 where: short stacking energy: -25.576 Base-Backbone interact. energy: -0.003 local terms energy: -24.112824 where: bonds (distance) C4'-P energy: -4.365 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -3.516 tors. eta vs tors. theta energy: -4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -83.025246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.025246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.025246 (E_RNA) where: Base-Base interactions energy: -62.241 where: short stacking energy: -22.760 Base-Backbone interact. energy: 0.715 local terms energy: -21.498961 where: bonds (distance) C4'-P energy: -5.280 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -1.206 tors. eta vs tors. theta energy: -1.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -51.517716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.517716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.517716 (E_RNA) where: Base-Base interactions energy: -21.170 where: short stacking energy: -21.170 Base-Backbone interact. energy: -0.006 local terms energy: -30.341286 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: -4.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -81.610079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.610079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.610079 (E_RNA) where: Base-Base interactions energy: -56.576 where: short stacking energy: -19.718 Base-Backbone interact. energy: -0.000 local terms energy: -25.034237 where: bonds (distance) C4'-P energy: -5.190 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -3.765 tors. eta vs tors. theta energy: -3.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -56.986271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.986271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.986271 (E_RNA) where: Base-Base interactions energy: -27.093 where: short stacking energy: -27.093 Base-Backbone interact. energy: -0.000 local terms energy: -29.893106 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -4.313 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: 7, replica: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -47.953025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.953025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.953025 (E_RNA) where: Base-Base interactions energy: -22.087 where: short stacking energy: -18.357 Base-Backbone interact. energy: -0.000 local terms energy: -25.865508 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -2.290 tors. eta vs tors. theta energy: -5.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -44.218404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.218404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.218404 (E_RNA) where: Base-Base interactions energy: -19.572 where: short stacking energy: -19.572 Base-Backbone interact. energy: -0.145 local terms energy: -24.501443 where: bonds (distance) C4'-P energy: -5.860 bonds (distance) P-C4' energy: -3.939 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -5.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -56.949787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.949787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.949787 (E_RNA) where: Base-Base interactions energy: -30.704 where: short stacking energy: -25.018 Base-Backbone interact. energy: -0.000 local terms energy: -26.245516 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -6.301 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -5.286 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: 6 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -46.897124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.897124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.897124 (E_RNA) where: Base-Base interactions energy: -22.355 where: short stacking energy: -22.355 Base-Backbone interact. energy: -0.027 local terms energy: -24.515423 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.319 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -3.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -88.013942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.013942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.013942 (E_RNA) where: Base-Base interactions energy: -68.252 where: short stacking energy: -25.299 Base-Backbone interact. energy: -0.004 local terms energy: -19.757422 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: 1.967 tors. eta vs tors. theta energy: -4.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -86.297571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.297571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.297571 (E_RNA) where: Base-Base interactions energy: -63.550 where: short stacking energy: -23.928 Base-Backbone interact. energy: -0.004 local terms energy: -22.743455 where: bonds (distance) C4'-P energy: -4.414 bonds (distance) P-C4' energy: -4.991 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -1.689 tors. eta vs tors. theta energy: -5.162 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: 3, replica: 2 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -84.897819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.897819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.897819 (E_RNA) where: Base-Base interactions energy: -62.277 where: short stacking energy: -21.117 Base-Backbone interact. energy: -0.228 local terms energy: -22.393235 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -1.074 flat angles P-C4'-P energy: -2.316 tors. eta vs tors. theta energy: -7.116 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: 5 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -79.198787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.198787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.198787 (E_RNA) where: Base-Base interactions energy: -52.267 where: short stacking energy: -22.155 Base-Backbone interact. energy: -0.003 local terms energy: -26.929691 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -4.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -49.885711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.885711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.885711 (E_RNA) where: Base-Base interactions energy: -25.559 where: short stacking energy: -25.559 Base-Backbone interact. energy: -0.000 local terms energy: -24.326535 where: bonds (distance) C4'-P energy: -2.370 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -6.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -37.207003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.207003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.207003 (E_RNA) where: Base-Base interactions energy: -14.169 where: short stacking energy: -14.169 Base-Backbone interact. energy: -0.043 local terms energy: -22.995217 where: bonds (distance) C4'-P energy: -4.680 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -3.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -45.933928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.933928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.933928 (E_RNA) where: Base-Base interactions energy: -19.679 where: short stacking energy: -19.679 Base-Backbone interact. energy: -0.022 local terms energy: -26.233529 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -52.066621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.066621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.066621 (E_RNA) where: Base-Base interactions energy: -32.793 where: short stacking energy: -8.311 Base-Backbone interact. energy: -0.460 local terms energy: -18.813723 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -1.732 tors. eta vs tors. theta energy: 0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -47.840378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.840378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.840378 (E_RNA) where: Base-Base interactions energy: -25.922 where: short stacking energy: -9.383 Base-Backbone interact. energy: -0.200 local terms energy: -21.718082 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -5.992 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -37.608925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.608925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.608925 (E_RNA) where: Base-Base interactions energy: -18.019 where: short stacking energy: -17.381 Base-Backbone interact. energy: -0.002 local terms energy: -19.588444 where: bonds (distance) C4'-P energy: -4.814 bonds (distance) P-C4' energy: -4.378 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -2.106 tors. eta vs tors. theta energy: -2.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -92.647254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.647254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.647254 (E_RNA) where: Base-Base interactions energy: -66.784 where: short stacking energy: -24.050 Base-Backbone interact. energy: -0.837 local terms energy: -25.025862 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -3.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -80.831289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.831289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.831289 (E_RNA) where: Base-Base interactions energy: -55.270 where: short stacking energy: -20.971 Base-Backbone interact. energy: -0.006 local terms energy: -25.555026 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.761 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -2.694 tors. eta vs tors. theta energy: -3.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -75.464815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.464815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.464815 (E_RNA) where: Base-Base interactions energy: -50.079 where: short stacking energy: -15.307 Base-Backbone interact. energy: -0.137 local terms energy: -25.248924 where: bonds (distance) C4'-P energy: -4.545 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.298 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -3.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -90.639142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.639142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.639142 (E_RNA) where: Base-Base interactions energy: -67.117 where: short stacking energy: -24.660 Base-Backbone interact. energy: -0.089 local terms energy: -23.433306 where: bonds (distance) C4'-P energy: -4.465 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.757 flat angles P-C4'-P energy: -2.688 tors. eta vs tors. theta energy: -3.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -55.785293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.785293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.785293 (E_RNA) where: Base-Base interactions energy: -29.984 where: short stacking energy: -21.237 Base-Backbone interact. energy: -0.004 local terms energy: -25.797377 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -3.128 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -4.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -60.334370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.334370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.334370 (E_RNA) where: Base-Base interactions energy: -29.487 where: short stacking energy: -29.487 Base-Backbone interact. energy: -0.000 local terms energy: -30.847692 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -5.581 tors. eta vs tors. theta energy: -7.129 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: 1 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -62.571578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.571578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.571578 (E_RNA) where: Base-Base interactions energy: -41.245 where: short stacking energy: -14.428 Base-Backbone interact. energy: -0.132 local terms energy: -21.195186 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -6.240 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -1.369 tors. eta vs tors. theta energy: -2.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -38.505045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.505045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.505045 (E_RNA) where: Base-Base interactions energy: -14.990 where: short stacking energy: -14.990 Base-Backbone interact. energy: -0.153 local terms energy: -23.362148 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -0.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -54.142700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.142700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.142700 (E_RNA) where: Base-Base interactions energy: -31.952 where: short stacking energy: -14.069 Base-Backbone interact. energy: -0.007 local terms energy: -22.184397 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -37.948750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.948750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.948750 (E_RNA) where: Base-Base interactions energy: -13.479 where: short stacking energy: -13.426 Base-Backbone interact. energy: -0.000 local terms energy: -24.469836 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -2.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -95.807974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.807974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.807974 (E_RNA) where: Base-Base interactions energy: -72.516 where: short stacking energy: -28.280 Base-Backbone interact. energy: -0.003 local terms energy: -23.289129 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.388 flat angles P-C4'-P energy: 0.994 tors. eta vs tors. theta energy: -4.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -80.224467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.224467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.224467 (E_RNA) where: Base-Base interactions energy: -50.337 where: short stacking energy: -20.671 Base-Backbone interact. energy: -0.859 local terms energy: -29.027876 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -6.652 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -5.362 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: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -57.388062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.388062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.388062 (E_RNA) where: Base-Base interactions energy: -30.861 where: short stacking energy: -18.121 Base-Backbone interact. energy: 0.124 local terms energy: -26.651138 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -2.303 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: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -78.572097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.572097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.572097 (E_RNA) where: Base-Base interactions energy: -50.423 where: short stacking energy: -22.899 Base-Backbone interact. energy: 0.803 local terms energy: -28.951919 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -4.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -52.253884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.253884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.253884 (E_RNA) where: Base-Base interactions energy: -25.406 where: short stacking energy: -25.406 Base-Backbone interact. energy: -0.000 local terms energy: -26.847643 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -3.650 tors. eta vs tors. theta energy: -4.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -43.511868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.511868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.511868 (E_RNA) where: Base-Base interactions energy: -20.583 where: short stacking energy: -20.583 Base-Backbone interact. energy: -0.012 local terms energy: -22.917041 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.603 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -2.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -52.402090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.402090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.402090 (E_RNA) where: Base-Base interactions energy: -21.888 where: short stacking energy: -21.888 Base-Backbone interact. energy: -0.000 local terms energy: -30.513822 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -5.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -47.386572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.386572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.386572 (E_RNA) where: Base-Base interactions energy: -21.871 where: short stacking energy: -21.871 Base-Backbone interact. energy: -0.019 local terms energy: -25.496728 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: -2.306 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: 9, replica: 6 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -37.937370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.937370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.937370 (E_RNA) where: Base-Base interactions energy: -12.423 where: short stacking energy: -12.423 Base-Backbone interact. energy: -0.413 local terms energy: -25.101784 where: bonds (distance) C4'-P energy: -6.816 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -3.847 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -1.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -36.638885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.638885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.638885 (E_RNA) where: Base-Base interactions energy: -13.527 where: short stacking energy: -13.397 Base-Backbone interact. energy: -0.026 local terms energy: -23.085743 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -5.362 tors. eta vs tors. theta energy: -0.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -86.179996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.179996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.179996 (E_RNA) where: Base-Base interactions energy: -60.710 where: short stacking energy: -23.995 Base-Backbone interact. energy: 0.924 local terms energy: -26.394127 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -2.468 tors. eta vs tors. theta energy: -4.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -96.008093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.008093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.008093 (E_RNA) where: Base-Base interactions energy: -70.610 where: short stacking energy: -27.178 Base-Backbone interact. energy: -0.001 local terms energy: -25.397103 where: bonds (distance) C4'-P energy: -5.512 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: 1.096 tors. eta vs tors. theta energy: -7.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -83.047223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.047223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.047223 (E_RNA) where: Base-Base interactions energy: -54.618 where: short stacking energy: -24.133 Base-Backbone interact. energy: -0.000 local terms energy: -28.428850 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.771 flat angles P-C4'-P energy: -4.725 tors. eta vs tors. theta energy: -4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -63.989091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.989091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.989091 (E_RNA) where: Base-Base interactions energy: -31.817 where: short stacking energy: -18.412 Base-Backbone interact. energy: -0.000 local terms energy: -32.172371 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -5.150 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: 5, replica: 8 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -43.567198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.567198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.567198 (E_RNA) where: Base-Base interactions energy: -22.360 where: short stacking energy: -22.360 Base-Backbone interact. energy: -0.003 local terms energy: -21.204302 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -50.031196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.031196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.031196 (E_RNA) where: Base-Base interactions energy: -23.551 where: short stacking energy: -15.548 Base-Backbone interact. energy: -0.001 local terms energy: -26.479447 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -2.998 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: 7, replica: 4 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -47.559734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.559734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.559734 (E_RNA) where: Base-Base interactions energy: -20.937 where: short stacking energy: -20.937 Base-Backbone interact. energy: -0.000 local terms energy: -26.622249 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -3.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -39.855526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.855526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.855526 (E_RNA) where: Base-Base interactions energy: -17.754 where: short stacking energy: -15.605 Base-Backbone interact. energy: -0.002 local terms energy: -22.099508 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -4.924 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -2.487 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -41.657043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.657043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.657043 (E_RNA) where: Base-Base interactions energy: -16.251 where: short stacking energy: -16.251 Base-Backbone interact. energy: -0.020 local terms energy: -25.385138 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -6.847 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -2.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -41.688855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.688855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.688855 (E_RNA) where: Base-Base interactions energy: -18.386 where: short stacking energy: -18.386 Base-Backbone interact. energy: -0.006 local terms energy: -23.296861 where: bonds (distance) C4'-P energy: -5.815 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -2.204 tors. eta vs tors. theta energy: -2.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -81.039781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.039781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.039781 (E_RNA) where: Base-Base interactions energy: -52.399 where: short stacking energy: -23.783 Base-Backbone interact. energy: -0.002 local terms energy: -28.639185 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -3.759 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: 2, replica: 2 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -83.864135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.864135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.864135 (E_RNA) where: Base-Base interactions energy: -56.005 where: short stacking energy: -24.487 Base-Backbone interact. energy: -1.065 local terms energy: -26.794317 where: bonds (distance) C4'-P energy: -5.663 bonds (distance) P-C4' energy: -5.517 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -5.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -80.269205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.269205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.269205 (E_RNA) where: Base-Base interactions energy: -53.442 where: short stacking energy: -24.023 Base-Backbone interact. energy: -0.136 local terms energy: -26.691336 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -4.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -52.409776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.409776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.409776 (E_RNA) where: Base-Base interactions energy: -20.522 where: short stacking energy: -20.522 Base-Backbone interact. energy: -0.006 local terms energy: -31.882649 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -4.403 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: 5, replica: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -74.285100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.285100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.285100 (E_RNA) where: Base-Base interactions energy: -46.508 where: short stacking energy: -20.058 Base-Backbone interact. energy: -0.000 local terms energy: -27.776761 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -6.191 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -4.213 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: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -44.554077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.554077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.554077 (E_RNA) where: Base-Base interactions energy: -20.011 where: short stacking energy: -20.011 Base-Backbone interact. energy: -0.003 local terms energy: -24.539861 where: bonds (distance) C4'-P energy: -5.219 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -3.241 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -4.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -44.551366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.551366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.551366 (E_RNA) where: Base-Base interactions energy: -14.802 where: short stacking energy: -14.802 Base-Backbone interact. energy: -0.000 local terms energy: -29.749170 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -4.734 tors. eta vs tors. theta energy: -7.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -44.994468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.994468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.994468 (E_RNA) where: Base-Base interactions energy: -26.439 where: short stacking energy: -11.364 Base-Backbone interact. energy: -0.068 local terms energy: -18.487265 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -1.758 tors. eta vs tors. theta energy: 0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -42.620267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.620267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.620267 (E_RNA) where: Base-Base interactions energy: -18.799 where: short stacking energy: -18.799 Base-Backbone interact. energy: -0.059 local terms energy: -23.762367 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: -1.819 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: 6 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -37.971706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.971706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.971706 (E_RNA) where: Base-Base interactions energy: -19.417 where: short stacking energy: -19.417 Base-Backbone interact. energy: -0.001 local terms energy: -18.553534 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: 1.520 tors. eta vs tors. theta energy: -3.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -90.077156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.077156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.077156 (E_RNA) where: Base-Base interactions energy: -66.073 where: short stacking energy: -24.783 Base-Backbone interact. energy: -0.001 local terms energy: -24.003245 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -0.747 tors. eta vs tors. theta energy: -2.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -84.467167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.467167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.467167 (E_RNA) where: Base-Base interactions energy: -53.188 where: short stacking energy: -23.018 Base-Backbone interact. energy: -0.005 local terms energy: -31.274206 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -6.546 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -87.564436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.564436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.564436 (E_RNA) where: Base-Base interactions energy: -62.608 where: short stacking energy: -23.885 Base-Backbone interact. energy: -0.000 local terms energy: -24.955976 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -1.816 tors. eta vs tors. theta energy: -5.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -46.317884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.317884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.317884 (E_RNA) where: Base-Base interactions energy: -20.467 where: short stacking energy: -20.467 Base-Backbone interact. energy: -0.069 local terms energy: -25.781188 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -57.795039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.795039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.795039 (E_RNA) where: Base-Base interactions energy: -27.253 where: short stacking energy: -25.840 Base-Backbone interact. energy: -0.007 local terms energy: -30.535399 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -5.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -50.815534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.815534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.815534 (E_RNA) where: Base-Base interactions energy: -27.569 where: short stacking energy: -12.501 Base-Backbone interact. energy: -0.451 local terms energy: -22.795999 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -1.144 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: 7, replica: 3 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -49.357936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.357936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.357936 (E_RNA) where: Base-Base interactions energy: -20.129 where: short stacking energy: -20.129 Base-Backbone interact. energy: -0.002 local terms energy: -29.227232 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -6.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -46.151689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.151689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.151689 (E_RNA) where: Base-Base interactions energy: -22.428 where: short stacking energy: -17.858 Base-Backbone interact. energy: -0.036 local terms energy: -23.687834 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -44.661402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.661402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.661402 (E_RNA) where: Base-Base interactions energy: -21.524 where: short stacking energy: -21.524 Base-Backbone interact. energy: -0.039 local terms energy: -23.097823 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -5.011 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -4.117 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: 268 Temperature: 1.350000 Total energy: -43.953845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.953845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.953845 (E_RNA) where: Base-Base interactions energy: -24.530 where: short stacking energy: -13.693 Base-Backbone interact. energy: -0.075 local terms energy: -19.349073 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -3.891 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -2.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -95.563511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.563511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.563511 (E_RNA) where: Base-Base interactions energy: -72.419 where: short stacking energy: -27.153 Base-Backbone interact. energy: -0.019 local terms energy: -23.125525 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: 0.354 tors. eta vs tors. theta energy: -5.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -91.531544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.531544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.531544 (E_RNA) where: Base-Base interactions energy: -62.711 where: short stacking energy: -24.974 Base-Backbone interact. energy: -0.001 local terms energy: -28.820274 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -1.705 tors. eta vs tors. theta energy: -5.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -84.033277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.033277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.033277 (E_RNA) where: Base-Base interactions energy: -61.323 where: short stacking energy: -22.832 Base-Backbone interact. energy: -0.004 local terms energy: -22.705619 where: bonds (distance) C4'-P energy: -5.339 bonds (distance) P-C4' energy: -5.964 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -0.531 tors. eta vs tors. theta energy: -3.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -60.460693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.460693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.460693 (E_RNA) where: Base-Base interactions energy: -32.143 where: short stacking energy: -21.860 Base-Backbone interact. energy: -0.000 local terms energy: -28.317289 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -6.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -53.645483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.645483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.645483 (E_RNA) where: Base-Base interactions energy: -25.757 where: short stacking energy: -25.757 Base-Backbone interact. energy: -0.000 local terms energy: -27.888395 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -2.571 tors. eta vs tors. theta energy: -6.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -42.783122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.783122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.783122 (E_RNA) where: Base-Base interactions energy: -20.869 where: short stacking energy: -19.914 Base-Backbone interact. energy: -0.007 local terms energy: -21.907441 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -4.037 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: -1.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -49.275490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.275490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.275490 (E_RNA) where: Base-Base interactions energy: -32.842 where: short stacking energy: -18.688 Base-Backbone interact. energy: -0.006 local terms energy: -16.427059 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.473 flat angles P-C4'-P energy: -0.123 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: 8, replica: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -46.921036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.921036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.921036 (E_RNA) where: Base-Base interactions energy: -21.550 where: short stacking energy: -21.550 Base-Backbone interact. energy: 0.909 local terms energy: -26.279866 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.895 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -3.871 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: 9, replica: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -42.033070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.033070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.033070 (E_RNA) where: Base-Base interactions energy: -22.112 where: short stacking energy: -22.112 Base-Backbone interact. energy: -0.026 local terms energy: -19.894620 where: bonds (distance) C4'-P energy: -2.330 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -6.154 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -41.849488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.849488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.849488 (E_RNA) where: Base-Base interactions energy: -20.436 where: short stacking energy: -20.436 Base-Backbone interact. energy: -0.001 local terms energy: -21.411898 where: bonds (distance) C4'-P energy: -3.041 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -3.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -88.127731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.127731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.127731 (E_RNA) where: Base-Base interactions energy: -64.125 where: short stacking energy: -26.487 Base-Backbone interact. energy: -0.004 local terms energy: -23.998845 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -1.025 tors. eta vs tors. theta energy: -4.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -98.540621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.540621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.540621 (E_RNA) where: Base-Base interactions energy: -75.476 where: short stacking energy: -30.334 Base-Backbone interact. energy: -0.022 local terms energy: -23.043135 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: 0.695 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: 3, replica: 7 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -80.003896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.003896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.003896 (E_RNA) where: Base-Base interactions energy: -53.054 where: short stacking energy: -21.372 Base-Backbone interact. energy: -0.004 local terms energy: -26.946144 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -56.394262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.394262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.394262 (E_RNA) where: Base-Base interactions energy: -26.213 where: short stacking energy: -26.213 Base-Backbone interact. energy: -0.000 local terms energy: -30.180727 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -2.555 tors. eta vs tors. theta energy: -6.868 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: 5, replica: 8 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -46.972213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.972213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.972213 (E_RNA) where: Base-Base interactions energy: -19.079 where: short stacking energy: -19.079 Base-Backbone interact. energy: -0.100 local terms energy: -27.793326 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -2.891 tors. eta vs tors. theta energy: -5.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -56.930513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.930513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.930513 (E_RNA) where: Base-Base interactions energy: -35.392 where: short stacking energy: -16.534 Base-Backbone interact. energy: -0.095 local terms energy: -21.443546 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -2.647 tors. eta vs tors. theta energy: -2.194 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: 6 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -49.243547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.243547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.243547 (E_RNA) where: Base-Base interactions energy: -24.375 where: short stacking energy: -15.329 Base-Backbone interact. energy: -0.002 local terms energy: -24.867024 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -58.547119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.547119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.547119 (E_RNA) where: Base-Base interactions energy: -33.329 where: short stacking energy: -17.957 Base-Backbone interact. energy: -0.023 local terms energy: -25.195648 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: -1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -38.282926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.282926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.282926 (E_RNA) where: Base-Base interactions energy: -14.912 where: short stacking energy: -14.912 Base-Backbone interact. energy: -0.040 local terms energy: -23.330175 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -35.758936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.758936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.758936 (E_RNA) where: Base-Base interactions energy: -12.042 where: short stacking energy: -12.042 Base-Backbone interact. energy: -0.046 local terms energy: -23.670165 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -1.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -87.107607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.107607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.107607 (E_RNA) where: Base-Base interactions energy: -62.249 where: short stacking energy: -22.401 Base-Backbone interact. energy: -0.001 local terms energy: -24.857326 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -0.699 tors. eta vs tors. theta energy: -5.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -79.206491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.206491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.206491 (E_RNA) where: Base-Base interactions energy: -49.344 where: short stacking energy: -20.406 Base-Backbone interact. energy: -0.002 local terms energy: -29.860960 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -85.311757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.311757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.311757 (E_RNA) where: Base-Base interactions energy: -59.972 where: short stacking energy: -24.105 Base-Backbone interact. energy: -0.014 local terms energy: -25.325949 where: bonds (distance) C4'-P energy: -5.371 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -3.855 flat angles P-C4'-P energy: -2.088 tors. eta vs tors. theta energy: -6.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -49.049012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.049012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.049012 (E_RNA) where: Base-Base interactions energy: -25.282 where: short stacking energy: -25.282 Base-Backbone interact. energy: -0.005 local terms energy: -23.761198 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -4.458 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -3.937 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: 5, replica: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -44.831875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.831875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.831875 (E_RNA) where: Base-Base interactions energy: -20.457 where: short stacking energy: -20.457 Base-Backbone interact. energy: -0.002 local terms energy: -24.372861 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -4.400 flat angles C4'-P-C4' energy: -4.128 flat angles P-C4'-P energy: -5.578 tors. eta vs tors. theta energy: -3.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -47.221088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.221088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.221088 (E_RNA) where: Base-Base interactions energy: -20.593 where: short stacking energy: -20.593 Base-Backbone interact. energy: -0.000 local terms energy: -26.627364 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: -3.307 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: 3 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -37.902725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.902725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.902725 (E_RNA) where: Base-Base interactions energy: -14.716 where: short stacking energy: -14.716 Base-Backbone interact. energy: -0.057 local terms energy: -23.129710 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -2.740 tors. eta vs tors. theta energy: -1.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -43.658339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.658339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.658339 (E_RNA) where: Base-Base interactions energy: -17.835 where: short stacking energy: -17.835 Base-Backbone interact. energy: -0.000 local terms energy: -25.823578 where: bonds (distance) C4'-P energy: -6.071 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -2.745 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: 271 Temperature: 1.300000 Total energy: -52.951940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.951940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.951940 (E_RNA) where: Base-Base interactions energy: -29.702 where: short stacking energy: -18.559 Base-Backbone interact. energy: -0.002 local terms energy: -23.247961 where: bonds (distance) C4'-P energy: -4.978 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -4.858 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -40.671085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.671085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.671085 (E_RNA) where: Base-Base interactions energy: -15.817 where: short stacking energy: -15.817 Base-Backbone interact. energy: -0.197 local terms energy: -24.656688 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -1.230 tors. eta vs tors. theta energy: -4.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -81.153914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.153914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.153914 (E_RNA) where: Base-Base interactions energy: -52.536 where: short stacking energy: -22.035 Base-Backbone interact. energy: -0.210 local terms energy: -28.408308 where: bonds (distance) C4'-P energy: -5.922 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -5.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -89.280017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.280017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.280017 (E_RNA) where: Base-Base interactions energy: -67.727 where: short stacking energy: -25.364 Base-Backbone interact. energy: -0.005 local terms energy: -21.547531 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: 0.946 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -87.554007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.554007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.554007 (E_RNA) where: Base-Base interactions energy: -66.706 where: short stacking energy: -25.181 Base-Backbone interact. energy: -0.209 local terms energy: -20.639264 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: 2.274 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -66.205337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.205337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.205337 (E_RNA) where: Base-Base interactions energy: -41.762 where: short stacking energy: -18.168 Base-Backbone interact. energy: -0.007 local terms energy: -24.436782 where: bonds (distance) C4'-P energy: -4.791 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -3.460 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: 272 Temperature: 1.100000 Total energy: -45.246991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.246991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.246991 (E_RNA) where: Base-Base interactions energy: -20.742 where: short stacking energy: -20.742 Base-Backbone interact. energy: -0.091 local terms energy: -24.414036 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -2.243 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -59.997533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.997533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.997533 (E_RNA) where: Base-Base interactions energy: -31.954 where: short stacking energy: -15.998 Base-Backbone interact. energy: -0.288 local terms energy: -27.755164 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -3.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -40.196097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.196097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.196097 (E_RNA) where: Base-Base interactions energy: -17.157 where: short stacking energy: -17.157 Base-Backbone interact. energy: -0.093 local terms energy: -22.946062 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -4.114 tors. eta vs tors. theta energy: -1.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -36.369398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.369398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.369398 (E_RNA) where: Base-Base interactions energy: -14.312 where: short stacking energy: -14.312 Base-Backbone interact. energy: -0.203 local terms energy: -21.853425 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -5.116 tors. eta vs tors. theta energy: 1.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -41.431344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.431344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.431344 (E_RNA) where: Base-Base interactions energy: -20.276 where: short stacking energy: -17.841 Base-Backbone interact. energy: -0.184 local terms energy: -20.971653 where: bonds (distance) C4'-P energy: -3.633 bonds (distance) P-C4' energy: -5.262 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -2.543 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -45.106816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.106816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.106816 (E_RNA) where: Base-Base interactions energy: -26.342 where: short stacking energy: -13.954 Base-Backbone interact. energy: -0.006 local terms energy: -18.759227 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.913 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -1.938 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -93.515137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.515137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.515137 (E_RNA) where: Base-Base interactions energy: -64.866 where: short stacking energy: -25.831 Base-Backbone interact. energy: -0.001 local terms energy: -28.647755 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -5.993 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: 2 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -83.362475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.362475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.362475 (E_RNA) where: Base-Base interactions energy: -63.263 where: short stacking energy: -22.551 Base-Backbone interact. energy: -0.026 local terms energy: -20.073853 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -5.427 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -0.879 tors. eta vs tors. theta energy: -2.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -87.672851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.672851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.672851 (E_RNA) where: Base-Base interactions energy: -65.124 where: short stacking energy: -22.733 Base-Backbone interact. energy: -0.001 local terms energy: -22.548345 where: bonds (distance) C4'-P energy: -5.271 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: 0.705 tors. eta vs tors. theta energy: -3.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -80.778694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.778694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.778694 (E_RNA) where: Base-Base interactions energy: -55.061 where: short stacking energy: -16.278 Base-Backbone interact. energy: -0.002 local terms energy: -25.716035 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -6.754 flat angles P-C4'-P energy: -2.325 tors. eta vs tors. theta energy: -4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -53.759939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.759939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.759939 (E_RNA) where: Base-Base interactions energy: -25.637 where: short stacking energy: -25.637 Base-Backbone interact. energy: -0.000 local terms energy: -28.123058 where: bonds (distance) C4'-P energy: -4.734 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -4.473 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: 6, replica: 9 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -77.054241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.054241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.054241 (E_RNA) where: Base-Base interactions energy: -49.735 where: short stacking energy: -20.867 Base-Backbone interact. energy: -0.003 local terms energy: -27.316191 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -5.710 tors. eta vs tors. theta energy: -4.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -40.391686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.391686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.391686 (E_RNA) where: Base-Base interactions energy: -15.774 where: short stacking energy: -15.774 Base-Backbone interact. energy: -0.003 local terms energy: -24.614057 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -2.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -44.645332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.645332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.645332 (E_RNA) where: Base-Base interactions energy: -18.092 where: short stacking energy: -18.092 Base-Backbone interact. energy: -0.003 local terms energy: -26.549916 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -4.934 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -4.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -52.942652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.942652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.942652 (E_RNA) where: Base-Base interactions energy: -30.195 where: short stacking energy: -15.472 Base-Backbone interact. energy: -0.013 local terms energy: -22.734095 where: bonds (distance) C4'-P energy: -4.950 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -2.253 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: 4 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -49.238464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.238464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.238464 (E_RNA) where: Base-Base interactions energy: -29.603 where: short stacking energy: -11.506 Base-Backbone interact. energy: -0.003 local terms energy: -19.632982 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -2.423 tors. eta vs tors. theta energy: -0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -83.015287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.015287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.015287 (E_RNA) where: Base-Base interactions energy: -53.366 where: short stacking energy: -24.390 Base-Backbone interact. energy: 0.077 local terms energy: -29.725360 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.315 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: -4.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -90.533542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.533542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.533542 (E_RNA) where: Base-Base interactions energy: -62.852 where: short stacking energy: -25.508 Base-Backbone interact. energy: -0.002 local terms energy: -27.679650 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -2.184 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: 3, replica: 8 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -79.976666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.976666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.976666 (E_RNA) where: Base-Base interactions energy: -51.002 where: short stacking energy: -21.981 Base-Backbone interact. energy: 0.159 local terms energy: -29.132913 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -4.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -77.717544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.717544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.717544 (E_RNA) where: Base-Base interactions energy: -51.461 where: short stacking energy: -20.791 Base-Backbone interact. energy: -0.002 local terms energy: -26.254190 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: -5.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -81.975002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.975002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.975002 (E_RNA) where: Base-Base interactions energy: -63.446 where: short stacking energy: -23.060 Base-Backbone interact. energy: -0.007 local terms energy: -18.522286 where: bonds (distance) C4'-P energy: -5.052 bonds (distance) P-C4' energy: -4.906 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -0.457 tors. eta vs tors. theta energy: -2.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -53.729719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.729719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.729719 (E_RNA) where: Base-Base interactions energy: -28.888 where: short stacking energy: -18.515 Base-Backbone interact. energy: -0.057 local terms energy: -24.784967 where: bonds (distance) C4'-P energy: -6.970 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -5.494 flat angles P-C4'-P energy: -2.204 tors. eta vs tors. theta energy: -3.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -41.066395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.066395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.066395 (E_RNA) where: Base-Base interactions energy: -18.420 where: short stacking energy: -12.768 Base-Backbone interact. energy: -0.016 local terms energy: -22.630615 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: 0.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -48.867806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.867806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.867806 (E_RNA) where: Base-Base interactions energy: -27.993 where: short stacking energy: -27.993 Base-Backbone interact. energy: -0.008 local terms energy: -20.867083 where: bonds (distance) C4'-P energy: -4.440 bonds (distance) P-C4' energy: -4.104 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: 0.156 tors. eta vs tors. theta energy: -6.044 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: 274 Temperature: 1.300000 Total energy: -44.667440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.667440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.667440 (E_RNA) where: Base-Base interactions energy: -17.063 where: short stacking energy: -17.063 Base-Backbone interact. energy: -0.000 local terms energy: -27.604565 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -4.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -38.677774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.677774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.677774 (E_RNA) where: Base-Base interactions energy: -12.185 where: short stacking energy: -12.185 Base-Backbone interact. energy: -0.000 local terms energy: -26.492699 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -2.462 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -90.356992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.356992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.356992 (E_RNA) where: Base-Base interactions energy: -66.501 where: short stacking energy: -26.602 Base-Backbone interact. energy: -0.002 local terms energy: -23.853634 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -4.532 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -2.043 tors. eta vs tors. theta energy: -4.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -87.885883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.885883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.885883 (E_RNA) where: Base-Base interactions energy: -62.038 where: short stacking energy: -24.787 Base-Backbone interact. energy: -0.019 local terms energy: -25.828742 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -0.843 tors. eta vs tors. theta energy: -6.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -80.412997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.412997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.412997 (E_RNA) where: Base-Base interactions energy: -60.214 where: short stacking energy: -24.931 Base-Backbone interact. energy: -0.003 local terms energy: -20.196493 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -3.939 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: 0.996 tors. eta vs tors. theta energy: -6.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -79.025792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.025792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.025792 (E_RNA) where: Base-Base interactions energy: -50.946 where: short stacking energy: -21.863 Base-Backbone interact. energy: -0.090 local terms energy: -27.988929 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -4.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -85.489822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.489822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.489822 (E_RNA) where: Base-Base interactions energy: -65.834 where: short stacking energy: -24.718 Base-Backbone interact. energy: -0.022 local terms energy: -19.633863 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -4.011 flat angles C4'-P-C4' energy: -2.672 flat angles P-C4'-P energy: -0.420 tors. eta vs tors. theta energy: -6.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -48.878710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.878710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.878710 (E_RNA) where: Base-Base interactions energy: -25.804 where: short stacking energy: -16.621 Base-Backbone interact. energy: -0.019 local terms energy: -23.055259 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: 0.134 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -46.482388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.482388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.482388 (E_RNA) where: Base-Base interactions energy: -26.871 where: short stacking energy: -9.933 Base-Backbone interact. energy: -0.466 local terms energy: -19.145525 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: 0.811 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -41.510536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.510536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.510536 (E_RNA) where: Base-Base interactions energy: -19.803 where: short stacking energy: -19.803 Base-Backbone interact. energy: -0.288 local terms energy: -21.419503 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -3.982 flat angles P-C4'-P energy: -3.154 tors. eta vs tors. theta energy: -1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -49.114897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.114897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.114897 (E_RNA) where: Base-Base interactions energy: -23.481 where: short stacking energy: -18.245 Base-Backbone interact. energy: -0.003 local terms energy: -25.630948 where: bonds (distance) C4'-P energy: -4.456 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -6.901 flat angles P-C4'-P energy: -5.180 tors. eta vs tors. theta energy: -3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -40.660816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.660816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.660816 (E_RNA) where: Base-Base interactions energy: -19.087 where: short stacking energy: -19.087 Base-Backbone interact. energy: -0.031 local terms energy: -21.543040 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -2.530 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: 1, replica: 7 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -89.824952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.824952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.824952 (E_RNA) where: Base-Base interactions energy: -65.596 where: short stacking energy: -25.769 Base-Backbone interact. energy: -0.024 local terms energy: -24.204591 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -1.265 tors. eta vs tors. theta energy: -4.887 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: 2 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -89.551803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.551803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.551803 (E_RNA) where: Base-Base interactions energy: -64.813 where: short stacking energy: -22.427 Base-Backbone interact. energy: -0.009 local terms energy: -24.729450 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -1.865 tors. eta vs tors. theta energy: -6.650 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: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -81.508376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.508376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.508376 (E_RNA) where: Base-Base interactions energy: -56.395 where: short stacking energy: -20.641 Base-Backbone interact. energy: -0.086 local terms energy: -25.026758 where: bonds (distance) C4'-P energy: -5.849 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -3.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -79.237282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.237282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.237282 (E_RNA) where: Base-Base interactions energy: -56.780 where: short stacking energy: -20.851 Base-Backbone interact. energy: -0.097 local terms energy: -22.360537 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.569 flat angles C4'-P-C4' energy: -3.510 flat angles P-C4'-P energy: -1.076 tors. eta vs tors. theta energy: -5.151 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: 10 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -82.826426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.826426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.826426 (E_RNA) where: Base-Base interactions energy: -54.642 where: short stacking energy: -22.499 Base-Backbone interact. energy: -0.142 local terms energy: -28.042253 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.308 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -5.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -49.237916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.237916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.237916 (E_RNA) where: Base-Base interactions energy: -24.951 where: short stacking energy: -24.951 Base-Backbone interact. energy: -0.006 local terms energy: -24.281360 where: bonds (distance) C4'-P energy: -5.156 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -2.731 tors. eta vs tors. theta energy: -3.169 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: 3 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -67.139838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.139838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.139838 (E_RNA) where: Base-Base interactions energy: -38.406 where: short stacking energy: -24.307 Base-Backbone interact. energy: -0.000 local terms energy: -28.733882 where: bonds (distance) C4'-P energy: -5.441 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -4.951 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: 8, replica: 4 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -41.563575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.563575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.563575 (E_RNA) where: Base-Base interactions energy: -24.589 where: short stacking energy: -7.741 Base-Backbone interact. energy: -0.104 local terms energy: -16.871100 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -0.009 tors. eta vs tors. theta energy: 0.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -41.109949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.109949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.109949 (E_RNA) where: Base-Base interactions energy: -17.489 where: short stacking energy: -17.489 Base-Backbone interact. energy: -0.257 local terms energy: -23.363389 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -0.319 tors. eta vs tors. theta energy: -3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -42.448269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.448269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.448269 (E_RNA) where: Base-Base interactions energy: -20.806 where: short stacking energy: -8.351 Base-Backbone interact. energy: -0.061 local terms energy: -21.581903 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.790 flat angles P-C4'-P energy: -3.866 tors. eta vs tors. theta energy: -0.014 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: 7 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -90.476566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.476566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.476566 (E_RNA) where: Base-Base interactions energy: -69.444 where: short stacking energy: -25.759 Base-Backbone interact. energy: -0.009 local terms energy: -21.023289 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: 3.660 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -90.155576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.155576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.155576 (E_RNA) where: Base-Base interactions energy: -66.757 where: short stacking energy: -27.821 Base-Backbone interact. energy: -0.013 local terms energy: -23.385192 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: 1.036 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: 3, replica: 2 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -85.509253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.509253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.509253 (E_RNA) where: Base-Base interactions energy: -59.738 where: short stacking energy: -20.301 Base-Backbone interact. energy: -0.005 local terms energy: -25.767080 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -4.769 flat angles P-C4'-P energy: -1.759 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -86.181304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.181304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.181304 (E_RNA) where: Base-Base interactions energy: -66.624 where: short stacking energy: -26.619 Base-Backbone interact. energy: -0.033 local terms energy: -19.524120 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -5.000 flat angles C4'-P-C4' energy: -5.952 flat angles P-C4'-P energy: 1.413 tors. eta vs tors. theta energy: -5.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -86.951970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.951970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.951970 (E_RNA) where: Base-Base interactions energy: -60.151 where: short stacking energy: -22.006 Base-Backbone interact. energy: -0.049 local terms energy: -26.752574 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: 0.317 tors. eta vs tors. theta energy: -5.343 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: 3 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -45.570127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.570127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.570127 (E_RNA) where: Base-Base interactions energy: -18.873 where: short stacking energy: -17.302 Base-Backbone interact. energy: -0.006 local terms energy: -26.690891 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -2.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -52.368631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.368631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.368631 (E_RNA) where: Base-Base interactions energy: -22.698 where: short stacking energy: -21.258 Base-Backbone interact. energy: -0.051 local terms energy: -29.619371 where: bonds (distance) C4'-P energy: -4.543 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -4.765 tors. eta vs tors. theta energy: -6.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -42.480347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.480347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.480347 (E_RNA) where: Base-Base interactions energy: -22.723 where: short stacking energy: -4.558 Base-Backbone interact. energy: -0.119 local terms energy: -19.638295 where: bonds (distance) C4'-P energy: -3.997 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -0.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -39.401284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.401284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.401284 (E_RNA) where: Base-Base interactions energy: -14.866 where: short stacking energy: -14.866 Base-Backbone interact. energy: -0.058 local terms energy: -24.477343 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.507 flat angles P-C4'-P energy: -2.694 tors. eta vs tors. theta energy: -2.927 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: 5 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -42.862999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.862999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.862999 (E_RNA) where: Base-Base interactions energy: -16.838 where: short stacking energy: -16.838 Base-Backbone interact. energy: -0.002 local terms energy: -26.022662 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -3.448 flat angles C4'-P-C4' energy: -6.560 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -93.856558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.856558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.856558 (E_RNA) where: Base-Base interactions energy: -69.841 where: short stacking energy: -27.474 Base-Backbone interact. energy: -0.007 local terms energy: -24.008697 where: bonds (distance) C4'-P energy: -5.463 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -0.221 tors. eta vs tors. theta energy: -3.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -84.883955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.883955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.883955 (E_RNA) where: Base-Base interactions energy: -62.931 where: short stacking energy: -22.602 Base-Backbone interact. energy: -0.013 local terms energy: -21.939570 where: bonds (distance) C4'-P energy: -5.517 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -1.019 tors. eta vs tors. theta energy: -3.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -79.647152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.647152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.647152 (E_RNA) where: Base-Base interactions energy: -52.810 where: short stacking energy: -20.868 Base-Backbone interact. energy: -0.126 local terms energy: -26.710536 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -5.621 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -4.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -77.313616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.313616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.313616 (E_RNA) where: Base-Base interactions energy: -51.091 where: short stacking energy: -21.277 Base-Backbone interact. energy: -0.014 local terms energy: -26.208970 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -5.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -77.167058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.167058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.167058 (E_RNA) where: Base-Base interactions energy: -58.136 where: short stacking energy: -20.128 Base-Backbone interact. energy: -0.009 local terms energy: -19.022936 where: bonds (distance) C4'-P energy: -1.170 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -0.845 tors. eta vs tors. theta energy: -5.510 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: 278 Temperature: 1.150000 Total energy: -49.072348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.072348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.072348 (E_RNA) where: Base-Base interactions energy: -23.972 where: short stacking energy: -18.754 Base-Backbone interact. energy: -0.357 local terms energy: -24.742883 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -3.976 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: 1 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -51.835495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.835495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.835495 (E_RNA) where: Base-Base interactions energy: -25.323 where: short stacking energy: -19.827 Base-Backbone interact. energy: -0.000 local terms energy: -26.512082 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.982 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -6.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -42.805377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.805377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.805377 (E_RNA) where: Base-Base interactions energy: -20.475 where: short stacking energy: -20.422 Base-Backbone interact. energy: -0.129 local terms energy: -22.202182 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -2.548 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -2.043 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: 5 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -40.354831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.354831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.354831 (E_RNA) where: Base-Base interactions energy: -15.023 where: short stacking energy: -15.023 Base-Backbone interact. energy: -0.001 local terms energy: -25.331111 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -2.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -44.328954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.328954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.328954 (E_RNA) where: Base-Base interactions energy: -19.719 where: short stacking energy: -13.818 Base-Backbone interact. energy: -0.013 local terms energy: -24.597148 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -1.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -94.306836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.306836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.306836 (E_RNA) where: Base-Base interactions energy: -70.945 where: short stacking energy: -27.390 Base-Backbone interact. energy: -0.015 local terms energy: -23.347250 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: 2.490 tors. eta vs tors. theta energy: -6.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -88.163222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.163222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.163222 (E_RNA) where: Base-Base interactions energy: -66.960 where: short stacking energy: -26.636 Base-Backbone interact. energy: -0.035 local terms energy: -21.168701 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: 0.387 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: 3, replica: 10 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -86.652870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.652870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.652870 (E_RNA) where: Base-Base interactions energy: -64.245 where: short stacking energy: -26.502 Base-Backbone interact. energy: -0.007 local terms energy: -22.400615 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -4.209 flat angles C4'-P-C4' energy: -6.686 flat angles P-C4'-P energy: -1.099 tors. eta vs tors. theta energy: -4.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -85.004650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.004650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.004650 (E_RNA) where: Base-Base interactions energy: -65.464 where: short stacking energy: -25.662 Base-Backbone interact. energy: -0.003 local terms energy: -19.537062 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -5.155 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: 1.911 tors. eta vs tors. theta energy: -5.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -79.297261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.297261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.297261 (E_RNA) where: Base-Base interactions energy: -53.697 where: short stacking energy: -19.618 Base-Backbone interact. energy: -0.066 local terms energy: -25.534654 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -1.597 tors. eta vs tors. theta energy: -5.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -50.854008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.854008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.854008 (E_RNA) where: Base-Base interactions energy: -27.683 where: short stacking energy: -16.946 Base-Backbone interact. energy: -0.015 local terms energy: -23.155385 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -5.084 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -47.407696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.407696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.407696 (E_RNA) where: Base-Base interactions energy: -21.971 where: short stacking energy: -20.917 Base-Backbone interact. energy: -0.003 local terms energy: -25.434340 where: bonds (distance) C4'-P energy: -4.461 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -7.504 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -2.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -50.277540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.277540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.277540 (E_RNA) where: Base-Base interactions energy: -21.124 where: short stacking energy: -21.124 Base-Backbone interact. energy: -0.001 local terms energy: -29.153254 where: bonds (distance) C4'-P energy: -6.275 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -5.757 tors. eta vs tors. theta energy: -4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -41.102055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.102055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.102055 (E_RNA) where: Base-Base interactions energy: -19.031 where: short stacking energy: -15.604 Base-Backbone interact. energy: 1.346 local terms energy: -23.417293 where: bonds (distance) C4'-P energy: -5.293 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -4.077 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -1.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -38.416079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.416079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.416079 (E_RNA) where: Base-Base interactions energy: -18.177 where: short stacking energy: -15.924 Base-Backbone interact. energy: -0.128 local terms energy: -20.110522 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -1.316 tors. eta vs tors. theta energy: -2.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -92.228212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.228212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.228212 (E_RNA) where: Base-Base interactions energy: -66.178 where: short stacking energy: -23.380 Base-Backbone interact. energy: -0.023 local terms energy: -26.027419 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.124 flat angles P-C4'-P energy: 1.132 tors. eta vs tors. theta energy: -7.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -90.689039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.689039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.689039 (E_RNA) where: Base-Base interactions energy: -66.989 where: short stacking energy: -25.189 Base-Backbone interact. energy: -0.002 local terms energy: -23.698053 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -0.905 tors. eta vs tors. theta energy: -4.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -90.696823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.696823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.696823 (E_RNA) where: Base-Base interactions energy: -67.525 where: short stacking energy: -25.919 Base-Backbone interact. energy: -0.075 local terms energy: -23.096220 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -0.699 tors. eta vs tors. theta energy: -3.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -84.781043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.781043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.781043 (E_RNA) where: Base-Base interactions energy: -67.174 where: short stacking energy: -24.308 Base-Backbone interact. energy: -0.855 local terms energy: -16.752025 where: bonds (distance) C4'-P energy: -4.187 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -3.704 flat angles P-C4'-P energy: 0.092 tors. eta vs tors. theta energy: -1.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -50.120014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.120014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.120014 (E_RNA) where: Base-Base interactions energy: -22.078 where: short stacking energy: -22.078 Base-Backbone interact. energy: -0.111 local terms energy: -27.930915 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: -3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -53.808135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.808135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.808135 (E_RNA) where: Base-Base interactions energy: -27.568 where: short stacking energy: -20.696 Base-Backbone interact. energy: -0.001 local terms energy: -26.239439 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.575 flat angles C4'-P-C4' energy: -3.853 flat angles P-C4'-P energy: -4.527 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: 7, replica: 5 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -50.800474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.800474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.800474 (E_RNA) where: Base-Base interactions energy: -24.064 where: short stacking energy: -24.048 Base-Backbone interact. energy: -0.000 local terms energy: -26.736184 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -3.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -43.148971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.148971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.148971 (E_RNA) where: Base-Base interactions energy: -14.274 where: short stacking energy: -14.274 Base-Backbone interact. energy: -0.000 local terms energy: -28.874307 where: bonds (distance) C4'-P energy: -4.800 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -4.868 tors. eta vs tors. theta energy: -4.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -46.646580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.646580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.646580 (E_RNA) where: Base-Base interactions energy: -20.193 where: short stacking energy: -20.193 Base-Backbone interact. energy: -0.004 local terms energy: -26.450264 where: bonds (distance) C4'-P energy: -5.843 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -4.016 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -5.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -61.534142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.534142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.534142 (E_RNA) where: Base-Base interactions energy: -40.254 where: short stacking energy: -18.745 Base-Backbone interact. energy: -0.098 local terms energy: -21.182223 where: bonds (distance) C4'-P energy: -4.783 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -0.374 tors. eta vs tors. theta energy: -2.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -84.149237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.149237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.149237 (E_RNA) where: Base-Base interactions energy: -56.870 where: short stacking energy: -24.434 Base-Backbone interact. energy: -0.000 local terms energy: -27.278900 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -3.176 tors. eta vs tors. theta energy: -5.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -88.493909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.493909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.493909 (E_RNA) where: Base-Base interactions energy: -67.452 where: short stacking energy: -22.805 Base-Backbone interact. energy: -0.007 local terms energy: -21.034646 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -0.874 tors. eta vs tors. theta energy: -3.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -84.770952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.770952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.770952 (E_RNA) where: Base-Base interactions energy: -62.983 where: short stacking energy: -24.253 Base-Backbone interact. energy: -1.002 local terms energy: -20.785987 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -1.540 tors. eta vs tors. theta energy: -2.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -45.699732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.699732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.699732 (E_RNA) where: Base-Base interactions energy: -20.555 where: short stacking energy: -20.555 Base-Backbone interact. energy: -0.177 local terms energy: -24.967656 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -86.727674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.727674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.727674 (E_RNA) where: Base-Base interactions energy: -62.046 where: short stacking energy: -24.511 Base-Backbone interact. energy: -0.002 local terms energy: -24.679510 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -4.097 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -2.448 tors. eta vs tors. theta energy: -5.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -60.161940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.161940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.161940 (E_RNA) where: Base-Base interactions energy: -33.849 where: short stacking energy: -23.439 Base-Backbone interact. energy: -0.092 local terms energy: -26.221850 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -41.862642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.862642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.862642 (E_RNA) where: Base-Base interactions energy: -22.084 where: short stacking energy: -18.047 Base-Backbone interact. energy: -0.092 local terms energy: -19.685898 where: bonds (distance) C4'-P energy: -4.544 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -1.954 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -45.972681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.972681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.972681 (E_RNA) where: Base-Base interactions energy: -31.211 where: short stacking energy: -13.700 Base-Backbone interact. energy: -0.153 local terms energy: -14.608617 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -2.827 flat angles P-C4'-P energy: 2.248 tors. eta vs tors. theta energy: -1.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -37.157937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.157937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.157937 (E_RNA) where: Base-Base interactions energy: -14.775 where: short stacking energy: -14.497 Base-Backbone interact. energy: -0.018 local terms energy: -22.364477 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -3.557 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -44.381640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.381640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.381640 (E_RNA) where: Base-Base interactions energy: -23.643 where: short stacking energy: -23.643 Base-Backbone interact. energy: -0.000 local terms energy: -20.738914 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -3.517 flat angles P-C4'-P energy: -2.216 tors. eta vs tors. theta energy: -3.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -92.147534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.147534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.147534 (E_RNA) where: Base-Base interactions energy: -69.097 where: short stacking energy: -25.706 Base-Backbone interact. energy: -0.013 local terms energy: -23.038040 where: bonds (distance) C4'-P energy: -5.164 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -1.129 tors. eta vs tors. theta energy: -3.586 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: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -84.987559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.987559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.987559 (E_RNA) where: Base-Base interactions energy: -61.836 where: short stacking energy: -20.692 Base-Backbone interact. energy: -0.798 local terms energy: -22.354289 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.803 flat angles P-C4'-P energy: -0.448 tors. eta vs tors. theta energy: -5.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -82.367395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.367395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.367395 (E_RNA) where: Base-Base interactions energy: -63.784 where: short stacking energy: -23.820 Base-Backbone interact. energy: -0.072 local terms energy: -18.511380 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: 2.167 tors. eta vs tors. theta energy: -4.129 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: 4, replica: 1 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -47.008416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.008416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.008416 (E_RNA) where: Base-Base interactions energy: -16.764 where: short stacking energy: -16.764 Base-Backbone interact. energy: -0.000 local terms energy: -30.244313 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -4.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -93.463927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.463927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.463927 (E_RNA) where: Base-Base interactions energy: -69.704 where: short stacking energy: -28.989 Base-Backbone interact. energy: -0.004 local terms energy: -23.756549 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -0.094 tors. eta vs tors. theta energy: -4.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -53.590113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.590113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.590113 (E_RNA) where: Base-Base interactions energy: -22.565 where: short stacking energy: -22.565 Base-Backbone interact. energy: -0.000 local terms energy: -31.024778 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.078 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -3.563 tors. eta vs tors. theta energy: -7.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -46.114930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.114930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.114930 (E_RNA) where: Base-Base interactions energy: -22.166 where: short stacking energy: -22.166 Base-Backbone interact. energy: -0.003 local terms energy: -23.945431 where: bonds (distance) C4'-P energy: -1.632 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -6.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -39.861937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.861937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.861937 (E_RNA) where: Base-Base interactions energy: -14.486 where: short stacking energy: -14.486 Base-Backbone interact. energy: -0.000 local terms energy: -25.376111 where: bonds (distance) C4'-P energy: -5.976 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -0.463 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -44.408214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.408214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.408214 (E_RNA) where: Base-Base interactions energy: -23.025 where: short stacking energy: -9.156 Base-Backbone interact. energy: -0.139 local terms energy: -21.243659 where: bonds (distance) C4'-P energy: -4.759 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.221 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: 0.043 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: 10, replica: 3 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -42.721025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.721025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.721025 (E_RNA) where: Base-Base interactions energy: -17.267 where: short stacking energy: -17.267 Base-Backbone interact. energy: -0.000 local terms energy: -25.453667 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -3.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -93.828597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.828597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.828597 (E_RNA) where: Base-Base interactions energy: -70.800 where: short stacking energy: -25.133 Base-Backbone interact. energy: -0.043 local terms energy: -22.985411 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: 0.176 tors. eta vs tors. theta energy: -1.241 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: 7 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -89.194082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.194082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.194082 (E_RNA) where: Base-Base interactions energy: -70.584 where: short stacking energy: -26.545 Base-Backbone interact. energy: -0.004 local terms energy: -18.606784 where: bonds (distance) C4'-P energy: -5.649 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: 3.176 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: 3, replica: 10 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -81.411572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.411572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.411572 (E_RNA) where: Base-Base interactions energy: -59.045 where: short stacking energy: -21.402 Base-Backbone interact. energy: 0.041 local terms energy: -22.408215 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -2.437 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -5.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -82.273788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.273788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.273788 (E_RNA) where: Base-Base interactions energy: -56.872 where: short stacking energy: -20.458 Base-Backbone interact. energy: -0.244 local terms energy: -25.158152 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -7.370 flat angles P-C4'-P energy: 1.890 tors. eta vs tors. theta energy: -6.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -56.660900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.660900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.660900 (E_RNA) where: Base-Base interactions energy: -28.046 where: short stacking energy: -28.046 Base-Backbone interact. energy: -0.000 local terms energy: -28.615273 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -6.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -54.377796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.377796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.377796 (E_RNA) where: Base-Base interactions energy: -26.350 where: short stacking energy: -26.350 Base-Backbone interact. energy: -0.000 local terms energy: -28.027304 where: bonds (distance) C4'-P energy: -5.016 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -6.996 flat angles P-C4'-P energy: -1.831 tors. eta vs tors. theta energy: -7.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -40.321857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.321857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.321857 (E_RNA) where: Base-Base interactions energy: -14.760 where: short stacking energy: -14.760 Base-Backbone interact. energy: -0.045 local terms energy: -25.516303 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -3.372 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: 8, replica: 6 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -51.166213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.166213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.166213 (E_RNA) where: Base-Base interactions energy: -33.116 where: short stacking energy: -17.149 Base-Backbone interact. energy: -0.034 local terms energy: -18.016051 where: bonds (distance) C4'-P energy: -2.929 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -1.665 tors. eta vs tors. theta energy: -1.402 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: 5 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -40.655226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.655226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.655226 (E_RNA) where: Base-Base interactions energy: -15.027 where: short stacking energy: -15.027 Base-Backbone interact. energy: -0.031 local terms energy: -25.597322 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -3.516 tors. eta vs tors. theta energy: -3.963 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: 3 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -39.881274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.881274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.881274 (E_RNA) where: Base-Base interactions energy: -15.947 where: short stacking energy: -15.947 Base-Backbone interact. energy: -0.000 local terms energy: -23.934021 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -8.042 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -0.043 tors. eta vs tors. theta energy: -4.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -93.018824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.018824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.018824 (E_RNA) where: Base-Base interactions energy: -72.549 where: short stacking energy: -28.140 Base-Backbone interact. energy: -0.053 local terms energy: -20.417642 where: bonds (distance) C4'-P energy: -4.607 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -0.488 tors. eta vs tors. theta energy: -4.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -86.742288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.742288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.742288 (E_RNA) where: Base-Base interactions energy: -62.579 where: short stacking energy: -24.902 Base-Backbone interact. energy: -0.001 local terms energy: -24.162255 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: 1.026 tors. eta vs tors. theta energy: -4.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -82.311411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.311411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.311411 (E_RNA) where: Base-Base interactions energy: -54.384 where: short stacking energy: -22.988 Base-Backbone interact. energy: -0.000 local terms energy: -27.927187 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -1.987 tors. eta vs tors. theta energy: -5.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -86.109544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.109544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.109544 (E_RNA) where: Base-Base interactions energy: -65.102 where: short stacking energy: -22.244 Base-Backbone interact. energy: -0.032 local terms energy: -20.974942 where: bonds (distance) C4'-P energy: -5.317 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: 0.290 tors. eta vs tors. theta energy: -2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -48.393938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.393938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.393938 (E_RNA) where: Base-Base interactions energy: -25.858 where: short stacking energy: -25.858 Base-Backbone interact. energy: -0.000 local terms energy: -22.536368 where: bonds (distance) C4'-P energy: -5.302 bonds (distance) P-C4' energy: -3.765 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -2.352 tors. eta vs tors. theta energy: -5.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -44.877290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.877290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.877290 (E_RNA) where: Base-Base interactions energy: -21.017 where: short stacking energy: -21.017 Base-Backbone interact. energy: -0.004 local terms energy: -23.856174 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -49.707761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.707761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.707761 (E_RNA) where: Base-Base interactions energy: -27.552 where: short stacking energy: -14.322 Base-Backbone interact. energy: -0.157 local terms energy: -21.998142 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -0.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -43.385698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.385698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.385698 (E_RNA) where: Base-Base interactions energy: -17.547 where: short stacking energy: -17.547 Base-Backbone interact. energy: -0.000 local terms energy: -25.838474 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -4.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -39.766254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.766254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.766254 (E_RNA) where: Base-Base interactions energy: -13.471 where: short stacking energy: -13.432 Base-Backbone interact. energy: -0.031 local terms energy: -26.264203 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -7.486 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -1.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -42.059966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.059966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.059966 (E_RNA) where: Base-Base interactions energy: -22.527 where: short stacking energy: -17.952 Base-Backbone interact. energy: -0.007 local terms energy: -19.526356 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -5.603 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -1.609 tors. eta vs tors. theta energy: -1.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -91.127766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.127766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.127766 (E_RNA) where: Base-Base interactions energy: -74.119 where: short stacking energy: -28.714 Base-Backbone interact. energy: -0.004 local terms energy: -17.005036 where: bonds (distance) C4'-P energy: -4.022 bonds (distance) P-C4' energy: -5.195 flat angles C4'-P-C4' energy: -4.822 flat angles P-C4'-P energy: -0.625 tors. eta vs tors. theta energy: -2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -81.986676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.986676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.986676 (E_RNA) where: Base-Base interactions energy: -61.779 where: short stacking energy: -23.557 Base-Backbone interact. energy: -0.013 local terms energy: -20.194366 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: 0.256 tors. eta vs tors. theta energy: -3.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -84.867672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.867672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.867672 (E_RNA) where: Base-Base interactions energy: -60.070 where: short stacking energy: -23.239 Base-Backbone interact. energy: -0.001 local terms energy: -24.796686 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -1.487 tors. eta vs tors. theta energy: -4.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -75.387539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.387539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.387539 (E_RNA) where: Base-Base interactions energy: -55.037 where: short stacking energy: -23.253 Base-Backbone interact. energy: -0.310 local terms energy: -20.040486 where: bonds (distance) C4'-P energy: -3.418 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: 0.254 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -52.745110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.745110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.745110 (E_RNA) where: Base-Base interactions energy: -32.003 where: short stacking energy: -23.625 Base-Backbone interact. energy: -0.120 local terms energy: -20.622261 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -5.062 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -1.800 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: 6, replica: 8 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -47.000784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.000784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.000784 (E_RNA) where: Base-Base interactions energy: -24.658 where: short stacking energy: -24.658 Base-Backbone interact. energy: -0.001 local terms energy: -22.341505 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -3.847 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -3.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -77.272256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.272256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.272256 (E_RNA) where: Base-Base interactions energy: -53.837 where: short stacking energy: -20.031 Base-Backbone interact. energy: -0.006 local terms energy: -23.429132 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -6.342 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -1.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -48.745389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.745389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.745389 (E_RNA) where: Base-Base interactions energy: -23.381 where: short stacking energy: -15.402 Base-Backbone interact. energy: -0.001 local terms energy: -25.363596 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.903 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -2.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -43.796701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.796701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.796701 (E_RNA) where: Base-Base interactions energy: -14.893 where: short stacking energy: -14.893 Base-Backbone interact. energy: -0.018 local terms energy: -28.885371 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -3.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -39.352859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.352859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.352859 (E_RNA) where: Base-Base interactions energy: -20.517 where: short stacking energy: -11.994 Base-Backbone interact. energy: -0.099 local terms energy: -18.737129 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -2.222 tors. eta vs tors. theta energy: -0.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -90.302494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.302494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.302494 (E_RNA) where: Base-Base interactions energy: -64.778 where: short stacking energy: -23.342 Base-Backbone interact. energy: -0.372 local terms energy: -25.152573 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -1.395 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: 2, replica: 9 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -91.282239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.282239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.282239 (E_RNA) where: Base-Base interactions energy: -65.763 where: short stacking energy: -23.296 Base-Backbone interact. energy: -0.045 local terms energy: -25.475014 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -1.476 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: 3, replica: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -82.690989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.690989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.690989 (E_RNA) where: Base-Base interactions energy: -60.017 where: short stacking energy: -22.328 Base-Backbone interact. energy: -0.039 local terms energy: -22.635148 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -1.042 tors. eta vs tors. theta energy: -4.415 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: 286 Temperature: 1.050000 Total energy: -52.987719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.987719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.987719 (E_RNA) where: Base-Base interactions energy: -26.262 where: short stacking energy: -26.262 Base-Backbone interact. energy: -0.000 local terms energy: -26.725503 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -5.906 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -2.652 tors. eta vs tors. theta energy: -5.236 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: 5, replica: 8 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -46.306922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.306922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.306922 (E_RNA) where: Base-Base interactions energy: -21.898 where: short stacking energy: -21.898 Base-Backbone interact. energy: -0.000 local terms energy: -24.408351 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -2.436 tors. eta vs tors. theta energy: -3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -48.298150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.298150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.298150 (E_RNA) where: Base-Base interactions energy: -22.126 where: short stacking energy: -16.512 Base-Backbone interact. energy: -0.024 local terms energy: -26.147876 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.454 flat angles P-C4'-P energy: -5.702 tors. eta vs tors. theta energy: -3.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -50.461337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.461337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.461337 (E_RNA) where: Base-Base interactions energy: -22.476 where: short stacking energy: -22.476 Base-Backbone interact. energy: -0.000 local terms energy: -27.985530 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -6.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -76.925910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.925910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.925910 (E_RNA) where: Base-Base interactions energy: -55.694 where: short stacking energy: -20.683 Base-Backbone interact. energy: -0.002 local terms energy: -21.230114 where: bonds (distance) C4'-P energy: -4.618 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -3.669 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -41.078508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.078508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.078508 (E_RNA) where: Base-Base interactions energy: -16.750 where: short stacking energy: -14.034 Base-Backbone interact. energy: -0.000 local terms energy: -24.328006 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -1.456 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: 6 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -33.476927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.476927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.476927 (E_RNA) where: Base-Base interactions energy: -19.335 where: short stacking energy: -15.645 Base-Backbone interact. energy: -0.083 local terms energy: -14.059298 where: bonds (distance) C4'-P energy: -2.226 bonds (distance) P-C4' energy: -4.980 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -1.802 tors. eta vs tors. theta energy: -0.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -89.756965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.756965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.756965 (E_RNA) where: Base-Base interactions energy: -65.926 where: short stacking energy: -24.519 Base-Backbone interact. energy: -0.005 local terms energy: -23.826123 where: bonds (distance) C4'-P energy: -6.482 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -0.347 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: 2, replica: 7 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -88.378778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.378778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.378778 (E_RNA) where: Base-Base interactions energy: -63.382 where: short stacking energy: -20.759 Base-Backbone interact. energy: -0.001 local terms energy: -24.995333 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -1.455 tors. eta vs tors. theta energy: -4.479 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: 9 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -92.502456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.502456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.502456 (E_RNA) where: Base-Base interactions energy: -67.255 where: short stacking energy: -27.497 Base-Backbone interact. energy: -0.002 local terms energy: -25.246191 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: 1.036 tors. eta vs tors. theta energy: -5.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -53.775449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.775449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.775449 (E_RNA) where: Base-Base interactions energy: -27.978 where: short stacking energy: -27.978 Base-Backbone interact. energy: -0.001 local terms energy: -25.796276 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -5.538 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -5.942 tors. eta vs tors. theta energy: -4.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -50.229851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.229851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.229851 (E_RNA) where: Base-Base interactions energy: -26.854 where: short stacking energy: -26.854 Base-Backbone interact. energy: -0.014 local terms energy: -23.362396 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -4.698 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -1.260 tors. eta vs tors. theta energy: -4.999 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: 3 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -46.948417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.948417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.948417 (E_RNA) where: Base-Base interactions energy: -22.735 where: short stacking energy: -22.735 Base-Backbone interact. energy: -0.000 local terms energy: -24.213099 where: bonds (distance) C4'-P energy: -4.552 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -66.794749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.794749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.794749 (E_RNA) where: Base-Base interactions energy: -43.668 where: short stacking energy: -19.358 Base-Backbone interact. energy: -0.000 local terms energy: -23.126920 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -2.111 tors. eta vs tors. theta energy: -2.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -71.968613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.968613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.968613 (E_RNA) where: Base-Base interactions energy: -49.520 where: short stacking energy: -19.706 Base-Backbone interact. energy: -0.165 local terms energy: -22.283622 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -1.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -43.833331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.833331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.833331 (E_RNA) where: Base-Base interactions energy: -20.543 where: short stacking energy: -20.543 Base-Backbone interact. energy: -0.000 local terms energy: -23.290811 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -4.833 tors. eta vs tors. theta energy: -3.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -38.429511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.429511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.429511 (E_RNA) where: Base-Base interactions energy: -22.008 where: short stacking energy: -8.336 Base-Backbone interact. energy: -0.206 local terms energy: -16.215640 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -2.655 tors. eta vs tors. theta energy: 2.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -92.640835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.640835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.640835 (E_RNA) where: Base-Base interactions energy: -69.861 where: short stacking energy: -24.964 Base-Backbone interact. energy: -0.003 local terms energy: -22.776282 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -5.379 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: 1.524 tors. eta vs tors. theta energy: -7.067 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: 2 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -82.639925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.639925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.639925 (E_RNA) where: Base-Base interactions energy: -54.964 where: short stacking energy: -22.243 Base-Backbone interact. energy: -0.014 local terms energy: -27.661625 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -3.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -92.170053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.170053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.170053 (E_RNA) where: Base-Base interactions energy: -69.596 where: short stacking energy: -28.979 Base-Backbone interact. energy: -0.208 local terms energy: -22.365931 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -5.772 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: 0.890 tors. eta vs tors. theta energy: -4.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -75.852008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.852008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.852008 (E_RNA) where: Base-Base interactions energy: -51.291 where: short stacking energy: -22.669 Base-Backbone interact. energy: -0.002 local terms energy: -24.558631 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -2.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -52.014972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.014972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.014972 (E_RNA) where: Base-Base interactions energy: -25.687 where: short stacking energy: -25.687 Base-Backbone interact. energy: -0.000 local terms energy: -26.328066 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -2.429 tors. eta vs tors. theta energy: -5.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -53.575285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.575285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.575285 (E_RNA) where: Base-Base interactions energy: -23.928 where: short stacking energy: -23.928 Base-Backbone interact. energy: -0.009 local terms energy: -29.637630 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: -6.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -78.642914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.642914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.642914 (E_RNA) where: Base-Base interactions energy: -50.428 where: short stacking energy: -23.075 Base-Backbone interact. energy: -0.015 local terms energy: -28.200121 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -5.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -61.290345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.290345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.290345 (E_RNA) where: Base-Base interactions energy: -41.333 where: short stacking energy: -13.643 Base-Backbone interact. energy: -0.004 local terms energy: -19.954104 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -1.465 tors. eta vs tors. theta energy: -1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -37.238855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.238855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.238855 (E_RNA) where: Base-Base interactions energy: -18.976 where: short stacking energy: -6.407 Base-Backbone interact. energy: -0.139 local terms energy: -18.123414 where: bonds (distance) C4'-P energy: -7.425 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -1.264 flat angles P-C4'-P energy: -1.753 tors. eta vs tors. theta energy: -0.359 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: 288 Temperature: 1.350000 Total energy: -47.181800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.181800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.181800 (E_RNA) where: Base-Base interactions energy: -21.714 where: short stacking energy: -21.714 Base-Backbone interact. energy: -0.007 local terms energy: -25.460590 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -2.884 tors. eta vs tors. theta energy: -4.495 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: 7 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -88.330398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.330398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.330398 (E_RNA) where: Base-Base interactions energy: -65.775 where: short stacking energy: -22.797 Base-Backbone interact. energy: -0.001 local terms energy: -22.554439 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -0.381 tors. eta vs tors. theta energy: -6.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -94.509971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.509971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.509971 (E_RNA) where: Base-Base interactions energy: -73.143 where: short stacking energy: -27.485 Base-Backbone interact. energy: -0.212 local terms energy: -21.154592 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: 1.843 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: 3, replica: 2 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -81.678118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.678118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.678118 (E_RNA) where: Base-Base interactions energy: -61.787 where: short stacking energy: -20.833 Base-Backbone interact. energy: -0.002 local terms energy: -19.889615 where: bonds (distance) C4'-P energy: -3.078 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: 0.488 tors. eta vs tors. theta energy: -2.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -80.442758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.442758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.442758 (E_RNA) where: Base-Base interactions energy: -52.185 where: short stacking energy: -22.297 Base-Backbone interact. energy: -0.003 local terms energy: -28.255173 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -3.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -49.259154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.259154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.259154 (E_RNA) where: Base-Base interactions energy: -25.024 where: short stacking energy: -25.024 Base-Backbone interact. energy: -0.000 local terms energy: -24.235066 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -2.162 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -77.459416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.459416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.459416 (E_RNA) where: Base-Base interactions energy: -50.444 where: short stacking energy: -24.090 Base-Backbone interact. energy: -0.266 local terms energy: -26.749850 where: bonds (distance) C4'-P energy: -5.086 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -2.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -47.455615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.455615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.455615 (E_RNA) where: Base-Base interactions energy: -19.361 where: short stacking energy: -19.361 Base-Backbone interact. energy: -0.088 local terms energy: -28.007032 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -4.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -43.322136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.322136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.322136 (E_RNA) where: Base-Base interactions energy: -19.775 where: short stacking energy: -19.775 Base-Backbone interact. energy: -0.000 local terms energy: -23.546742 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -0.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -43.255347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.255347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.255347 (E_RNA) where: Base-Base interactions energy: -21.033 where: short stacking energy: -21.033 Base-Backbone interact. energy: -0.087 local terms energy: -22.134994 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -3.240 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -41.047705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.047705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.047705 (E_RNA) where: Base-Base interactions energy: -25.927 where: short stacking energy: -12.566 Base-Backbone interact. energy: -0.001 local terms energy: -15.120303 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -3.763 flat angles P-C4'-P energy: 2.356 tors. eta vs tors. theta energy: -2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -96.703199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.703199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.703199 (E_RNA) where: Base-Base interactions energy: -71.825 where: short stacking energy: -27.881 Base-Backbone interact. energy: -0.132 local terms energy: -24.747134 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: 0.403 tors. eta vs tors. theta energy: -4.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -87.448320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.448320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.448320 (E_RNA) where: Base-Base interactions energy: -62.045 where: short stacking energy: -20.733 Base-Backbone interact. energy: -0.004 local terms energy: -25.398616 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -0.960 tors. eta vs tors. theta energy: -4.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -80.678057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.678057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.678057 (E_RNA) where: Base-Base interactions energy: -53.512 where: short stacking energy: -24.676 Base-Backbone interact. energy: -0.008 local terms energy: -27.157799 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: -3.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -79.603755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.603755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.603755 (E_RNA) where: Base-Base interactions energy: -49.044 where: short stacking energy: -21.295 Base-Backbone interact. energy: -0.001 local terms energy: -30.559324 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -5.571 tors. eta vs tors. theta energy: -5.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -78.743125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.743125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.743125 (E_RNA) where: Base-Base interactions energy: -50.485 where: short stacking energy: -22.240 Base-Backbone interact. energy: 0.208 local terms energy: -28.465775 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -5.947 tors. eta vs tors. theta energy: -5.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -44.743858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.743858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.743858 (E_RNA) where: Base-Base interactions energy: -19.270 where: short stacking energy: -19.270 Base-Backbone interact. energy: -0.001 local terms energy: -25.472807 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -4.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -47.468096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.468096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.468096 (E_RNA) where: Base-Base interactions energy: -26.323 where: short stacking energy: -15.614 Base-Backbone interact. energy: -0.005 local terms energy: -21.139895 where: bonds (distance) C4'-P energy: -4.850 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.739 flat angles P-C4'-P energy: -0.504 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -51.993903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.993903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.993903 (E_RNA) where: Base-Base interactions energy: -24.310 where: short stacking energy: -18.929 Base-Backbone interact. energy: -0.003 local terms energy: -27.680880 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: -4.751 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: 4 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -45.566372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.566372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.566372 (E_RNA) where: Base-Base interactions energy: -18.503 where: short stacking energy: -18.361 Base-Backbone interact. energy: -0.000 local terms energy: -27.063341 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -5.681 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -43.398220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.398220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.398220 (E_RNA) where: Base-Base interactions energy: -21.383 where: short stacking energy: -9.959 Base-Backbone interact. energy: -0.043 local terms energy: -21.972172 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.527 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -94.006260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.006260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.006260 (E_RNA) where: Base-Base interactions energy: -71.499 where: short stacking energy: -27.388 Base-Backbone interact. energy: -0.017 local terms energy: -22.490496 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -3.998 flat angles P-C4'-P energy: -1.023 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: 2, replica: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -85.795413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.795413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.795413 (E_RNA) where: Base-Base interactions energy: -58.973 where: short stacking energy: -20.675 Base-Backbone interact. energy: -0.000 local terms energy: -26.822437 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -4.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -86.887161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.887161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.887161 (E_RNA) where: Base-Base interactions energy: -64.795 where: short stacking energy: -21.408 Base-Backbone interact. energy: 0.328 local terms energy: -22.420377 where: bonds (distance) C4'-P energy: -4.324 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -1.383 tors. eta vs tors. theta energy: -2.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -79.279020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.279020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.279020 (E_RNA) where: Base-Base interactions energy: -48.753 where: short stacking energy: -21.884 Base-Backbone interact. energy: -0.035 local terms energy: -30.490769 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -5.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -84.950137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.950137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.950137 (E_RNA) where: Base-Base interactions energy: -62.865 where: short stacking energy: -20.486 Base-Backbone interact. energy: -0.478 local terms energy: -21.607044 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: 2.171 tors. eta vs tors. theta energy: -5.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -48.396320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.396320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.396320 (E_RNA) where: Base-Base interactions energy: -25.842 where: short stacking energy: -17.276 Base-Backbone interact. energy: -0.172 local terms energy: -22.382705 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.983 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: 0.393 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: 8 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -47.780980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.780980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.780980 (E_RNA) where: Base-Base interactions energy: -20.817 where: short stacking energy: -20.817 Base-Backbone interact. energy: -0.000 local terms energy: -26.963174 where: bonds (distance) C4'-P energy: -4.188 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -5.013 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: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -53.467860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.467860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.467860 (E_RNA) where: Base-Base interactions energy: -30.088 where: short stacking energy: -20.382 Base-Backbone interact. energy: -0.135 local terms energy: -23.244911 where: bonds (distance) C4'-P energy: -5.483 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -6.071 flat angles P-C4'-P energy: -4.988 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -44.336718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.336718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.336718 (E_RNA) where: Base-Base interactions energy: -19.915 where: short stacking energy: -19.915 Base-Backbone interact. energy: -0.014 local terms energy: -24.407898 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -5.051 flat angles P-C4'-P energy: -2.481 tors. eta vs tors. theta energy: -3.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -41.370050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.370050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.370050 (E_RNA) where: Base-Base interactions energy: -15.265 where: short stacking energy: -15.265 Base-Backbone interact. energy: -0.085 local terms energy: -26.020557 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -93.414469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.414469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.414469 (E_RNA) where: Base-Base interactions energy: -70.767 where: short stacking energy: -26.869 Base-Backbone interact. energy: -0.025 local terms energy: -22.622170 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -81.888699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.888699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.888699 (E_RNA) where: Base-Base interactions energy: -53.676 where: short stacking energy: -23.310 Base-Backbone interact. energy: -0.045 local terms energy: -28.168327 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -79.212450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.212450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.212450 (E_RNA) where: Base-Base interactions energy: -52.273 where: short stacking energy: -22.717 Base-Backbone interact. energy: -0.005 local terms energy: -26.934582 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -5.026 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -4.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -77.178331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.178331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.178331 (E_RNA) where: Base-Base interactions energy: -50.064 where: short stacking energy: -20.847 Base-Backbone interact. energy: -0.000 local terms energy: -27.113976 where: bonds (distance) C4'-P energy: -5.251 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -2.543 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: 5, replica: 3 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -52.057520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.057520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.057520 (E_RNA) where: Base-Base interactions energy: -20.861 where: short stacking energy: -20.861 Base-Backbone interact. energy: -0.055 local terms energy: -31.142244 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -5.300 tors. eta vs tors. theta energy: -6.726 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: 10 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -80.764602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.764602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.764602 (E_RNA) where: Base-Base interactions energy: -58.464 where: short stacking energy: -19.557 Base-Backbone interact. energy: -0.076 local terms energy: -22.224308 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -5.520 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: 0.426 tors. eta vs tors. theta energy: -4.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -46.802783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.802783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.802783 (E_RNA) where: Base-Base interactions energy: -18.808 where: short stacking energy: -18.808 Base-Backbone interact. energy: -0.074 local terms energy: -27.921234 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -5.599 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -44.322578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.322578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.322578 (E_RNA) where: Base-Base interactions energy: -18.175 where: short stacking energy: -18.175 Base-Backbone interact. energy: -0.003 local terms energy: -26.144512 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -3.142 tors. eta vs tors. theta energy: -5.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -41.235363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.235363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.235363 (E_RNA) where: Base-Base interactions energy: -16.206 where: short stacking energy: -15.550 Base-Backbone interact. energy: -0.015 local terms energy: -25.014780 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -2.467 tors. eta vs tors. theta energy: -1.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -39.532721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.532721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.532721 (E_RNA) where: Base-Base interactions energy: -15.443 where: short stacking energy: -15.295 Base-Backbone interact. energy: -0.061 local terms energy: -24.028585 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -94.878513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.878513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.878513 (E_RNA) where: Base-Base interactions energy: -72.829 where: short stacking energy: -26.548 Base-Backbone interact. energy: -0.003 local terms energy: -22.045786 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: 1.080 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: 2, replica: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -80.185245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.185245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.185245 (E_RNA) where: Base-Base interactions energy: -55.661 where: short stacking energy: -23.836 Base-Backbone interact. energy: -0.108 local terms energy: -24.416505 where: bonds (distance) C4'-P energy: -4.904 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -1.084 tors. eta vs tors. theta energy: -4.788 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: 7 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -87.003530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.003530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.003530 (E_RNA) where: Base-Base interactions energy: -63.170 where: short stacking energy: -23.051 Base-Backbone interact. energy: -0.020 local terms energy: -23.812836 where: bonds (distance) C4'-P energy: -6.278 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -1.841 tors. eta vs tors. theta energy: -3.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -78.563830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.563830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.563830 (E_RNA) where: Base-Base interactions energy: -49.917 where: short stacking energy: -22.795 Base-Backbone interact. energy: -0.001 local terms energy: -28.646149 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -5.692 tors. eta vs tors. theta energy: -4.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -55.509675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.509675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.509675 (E_RNA) where: Base-Base interactions energy: -25.208 where: short stacking energy: -25.208 Base-Backbone interact. energy: -0.019 local terms energy: -30.282324 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -4.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -82.462633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.462633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.462633 (E_RNA) where: Base-Base interactions energy: -60.432 where: short stacking energy: -21.173 Base-Backbone interact. energy: -0.006 local terms energy: -22.024458 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -6.311 flat angles C4'-P-C4' energy: -6.980 flat angles P-C4'-P energy: 0.284 tors. eta vs tors. theta energy: -3.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -40.386659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.386659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.386659 (E_RNA) where: Base-Base interactions energy: -18.381 where: short stacking energy: -18.381 Base-Backbone interact. energy: -0.130 local terms energy: -21.875784 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -1.152 tors. eta vs tors. theta energy: -3.242 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: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -42.849028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.849028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.849028 (E_RNA) where: Base-Base interactions energy: -22.763 where: short stacking energy: -10.002 Base-Backbone interact. energy: -0.042 local terms energy: -20.043977 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: 0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -44.300988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.300988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.300988 (E_RNA) where: Base-Base interactions energy: -20.836 where: short stacking energy: -20.836 Base-Backbone interact. energy: -0.050 local terms energy: -23.414285 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.350 flat angles P-C4'-P energy: -2.485 tors. eta vs tors. theta energy: -3.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -38.770764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.770764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.770764 (E_RNA) where: Base-Base interactions energy: -16.368 where: short stacking energy: -16.368 Base-Backbone interact. energy: -0.408 local terms energy: -21.994486 where: bonds (distance) C4'-P energy: -3.356 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -2.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -90.415161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.415161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.415161 (E_RNA) where: Base-Base interactions energy: -66.629 where: short stacking energy: -23.996 Base-Backbone interact. energy: -0.009 local terms energy: -23.777047 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -2.028 tors. eta vs tors. theta energy: -2.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -93.676896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.676896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.676896 (E_RNA) where: Base-Base interactions energy: -71.684 where: short stacking energy: -28.297 Base-Backbone interact. energy: -0.208 local terms energy: -21.785374 where: bonds (distance) C4'-P energy: -5.735 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -0.066 tors. eta vs tors. theta energy: -5.318 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: 7 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -87.663890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.663890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.663890 (E_RNA) where: Base-Base interactions energy: -60.396 where: short stacking energy: -24.205 Base-Backbone interact. energy: -0.001 local terms energy: -27.266497 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -1.706 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -81.114883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.114883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.114883 (E_RNA) where: Base-Base interactions energy: -54.058 where: short stacking energy: -25.884 Base-Backbone interact. energy: -0.000 local terms energy: -27.056532 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: -5.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -72.033944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.033944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.033944 (E_RNA) where: Base-Base interactions energy: -46.674 where: short stacking energy: -16.104 Base-Backbone interact. energy: 0.200 local terms energy: -25.560187 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -4.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -47.043660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.043660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.043660 (E_RNA) where: Base-Base interactions energy: -19.368 where: short stacking energy: -19.368 Base-Backbone interact. energy: -0.013 local terms energy: -27.662376 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -2.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -52.132404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.132404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.132404 (E_RNA) where: Base-Base interactions energy: -21.857 where: short stacking energy: -21.857 Base-Backbone interact. energy: -0.000 local terms energy: -30.275030 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -5.712 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: 8, replica: 4 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -43.546554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.546554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.546554 (E_RNA) where: Base-Base interactions energy: -15.319 where: short stacking energy: -15.319 Base-Backbone interact. energy: -0.010 local terms energy: -28.217728 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -6.207 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -73.184440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.184440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.184440 (E_RNA) where: Base-Base interactions energy: -49.469 where: short stacking energy: -21.233 Base-Backbone interact. energy: -0.001 local terms energy: -23.713910 where: bonds (distance) C4'-P energy: -3.091 bonds (distance) P-C4' energy: -4.970 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -5.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -43.521559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.521559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.521559 (E_RNA) where: Base-Base interactions energy: -22.151 where: short stacking energy: -21.120 Base-Backbone interact. energy: -0.019 local terms energy: -21.351292 where: bonds (distance) C4'-P energy: -4.192 bonds (distance) P-C4' energy: -5.421 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: -1.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -92.055279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.055279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.055279 (E_RNA) where: Base-Base interactions energy: -68.715 where: short stacking energy: -26.483 Base-Backbone interact. energy: -0.338 local terms energy: -23.001837 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -0.851 tors. eta vs tors. theta energy: -4.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -81.390386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.390386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.390386 (E_RNA) where: Base-Base interactions energy: -53.085 where: short stacking energy: -22.582 Base-Backbone interact. energy: -0.002 local terms energy: -28.303063 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.809 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -4.962 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: 3, replica: 2 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -91.635755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.635755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.635755 (E_RNA) where: Base-Base interactions energy: -70.512 where: short stacking energy: -29.174 Base-Backbone interact. energy: -0.039 local terms energy: -21.084797 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -4.952 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: 0.740 tors. eta vs tors. theta energy: -3.785 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: 10 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -75.824348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.824348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.824348 (E_RNA) where: Base-Base interactions energy: -55.903 where: short stacking energy: -25.631 Base-Backbone interact. energy: -0.003 local terms energy: -19.918717 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -1.030 tors. eta vs tors. theta energy: -0.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -78.512819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.512819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.512819 (E_RNA) where: Base-Base interactions energy: -59.565 where: short stacking energy: -22.502 Base-Backbone interact. energy: -0.005 local terms energy: -18.943314 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -4.823 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: 2.562 tors. eta vs tors. theta energy: -4.042 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: 3 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -46.229074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.229074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.229074 (E_RNA) where: Base-Base interactions energy: -21.502 where: short stacking energy: -21.502 Base-Backbone interact. energy: -0.007 local terms energy: -24.720337 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -3.983 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -3.411 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: 295 Temperature: 1.200000 Total energy: -46.226648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.226648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.226648 (E_RNA) where: Base-Base interactions energy: -20.170 where: short stacking energy: -20.170 Base-Backbone interact. energy: -0.000 local terms energy: -26.057019 where: bonds (distance) C4'-P energy: -3.015 bonds (distance) P-C4' energy: -6.320 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -2.994 tors. eta vs tors. theta energy: -6.739 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: 6 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -72.936580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.936580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.936580 (E_RNA) where: Base-Base interactions energy: -47.601 where: short stacking energy: -17.831 Base-Backbone interact. energy: -0.010 local terms energy: -25.326186 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -1.265 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -41.735704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.735704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.735704 (E_RNA) where: Base-Base interactions energy: -17.355 where: short stacking energy: -17.355 Base-Backbone interact. energy: -0.066 local terms energy: -24.315445 where: bonds (distance) C4'-P energy: -0.544 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -5.506 tors. eta vs tors. theta energy: -5.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -40.803791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.803791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.803791 (E_RNA) where: Base-Base interactions energy: -16.516 where: short stacking energy: -16.516 Base-Backbone interact. energy: -0.009 local terms energy: -24.279224 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -1.859 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: 9 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -94.715567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.715567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.715567 (E_RNA) where: Base-Base interactions energy: -73.418 where: short stacking energy: -28.204 Base-Backbone interact. energy: -0.004 local terms energy: -21.293952 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: 1.640 tors. eta vs tors. theta energy: -4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -93.820456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.820456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.820456 (E_RNA) where: Base-Base interactions energy: -70.659 where: short stacking energy: -27.016 Base-Backbone interact. energy: -0.045 local terms energy: -23.117017 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: 0.219 tors. eta vs tors. theta energy: -5.549 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: 10 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -81.121678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.121678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.121678 (E_RNA) where: Base-Base interactions energy: -55.068 where: short stacking energy: -24.295 Base-Backbone interact. energy: -0.073 local terms energy: -25.981226 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -2.931 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -4.622 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: 2 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -83.192865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.192865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.192865 (E_RNA) where: Base-Base interactions energy: -54.242 where: short stacking energy: -25.134 Base-Backbone interact. energy: -0.001 local terms energy: -28.950185 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -4.682 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: 1 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -80.662241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.662241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.662241 (E_RNA) where: Base-Base interactions energy: -49.756 where: short stacking energy: -18.767 Base-Backbone interact. energy: -0.002 local terms energy: -30.904259 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -5.433 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: 6, replica: 3 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -45.306466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.306466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.306466 (E_RNA) where: Base-Base interactions energy: -22.482 where: short stacking energy: -22.482 Base-Backbone interact. energy: -0.016 local terms energy: -22.808022 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.570 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -0.634 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: 6 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -42.613672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.613672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.613672 (E_RNA) where: Base-Base interactions energy: -17.211 where: short stacking energy: -17.211 Base-Backbone interact. energy: -0.046 local terms energy: -25.356020 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -3.422 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: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -43.742120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.742120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.742120 (E_RNA) where: Base-Base interactions energy: -20.823 where: short stacking energy: -20.823 Base-Backbone interact. energy: -0.043 local terms energy: -22.876275 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -2.752 flat angles P-C4'-P energy: -1.878 tors. eta vs tors. theta energy: -5.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -46.843109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.843109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.843109 (E_RNA) where: Base-Base interactions energy: -20.493 where: short stacking energy: -20.493 Base-Backbone interact. energy: -0.085 local terms energy: -26.264450 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -4.526 flat angles P-C4'-P energy: -5.193 tors. eta vs tors. theta energy: -5.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -40.753204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.753204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.753204 (E_RNA) where: Base-Base interactions energy: -16.390 where: short stacking energy: -16.390 Base-Backbone interact. energy: -0.000 local terms energy: -24.363442 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -4.566 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -2.495 tors. eta vs tors. theta energy: -5.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -91.429400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.429400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.429400 (E_RNA) where: Base-Base interactions energy: -69.544 where: short stacking energy: -27.037 Base-Backbone interact. energy: -0.017 local terms energy: -21.868429 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -2.247 flat angles P-C4'-P energy: -1.422 tors. eta vs tors. theta energy: -4.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -95.250819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.250819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.250819 (E_RNA) where: Base-Base interactions energy: -67.691 where: short stacking energy: -24.256 Base-Backbone interact. energy: -0.056 local terms energy: -27.504312 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: 0.188 tors. eta vs tors. theta energy: -6.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -83.097451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.097451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.097451 (E_RNA) where: Base-Base interactions energy: -59.050 where: short stacking energy: -22.652 Base-Backbone interact. energy: -0.650 local terms energy: -23.397735 where: bonds (distance) C4'-P energy: -4.924 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -1.736 tors. eta vs tors. theta energy: -5.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -79.077328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.077328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.077328 (E_RNA) where: Base-Base interactions energy: -51.379 where: short stacking energy: -17.212 Base-Backbone interact. energy: -0.003 local terms energy: -27.695978 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -80.393018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.393018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.393018 (E_RNA) where: Base-Base interactions energy: -54.445 where: short stacking energy: -23.963 Base-Backbone interact. energy: 0.009 local terms energy: -25.957915 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -3.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -53.644610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.644610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.644610 (E_RNA) where: Base-Base interactions energy: -27.047 where: short stacking energy: -27.047 Base-Backbone interact. energy: -0.005 local terms energy: -26.592826 where: bonds (distance) C4'-P energy: -5.720 bonds (distance) P-C4' energy: -5.357 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -2.990 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: 7, replica: 3 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -42.639691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.639691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.639691 (E_RNA) where: Base-Base interactions energy: -18.713 where: short stacking energy: -18.713 Base-Backbone interact. energy: -0.001 local terms energy: -23.926367 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -4.959 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -5.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -42.254011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.254011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.254011 (E_RNA) where: Base-Base interactions energy: -20.703 where: short stacking energy: -20.703 Base-Backbone interact. energy: -0.163 local terms energy: -21.387701 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -5.392 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -3.912 tors. eta vs tors. theta energy: -2.686 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: 8 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -40.356654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.356654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.356654 (E_RNA) where: Base-Base interactions energy: -17.276 where: short stacking energy: -14.333 Base-Backbone interact. energy: 0.084 local terms energy: -23.164548 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.767 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -43.084781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.084781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.084781 (E_RNA) where: Base-Base interactions energy: -17.284 where: short stacking energy: -17.284 Base-Backbone interact. energy: -0.028 local terms energy: -25.773038 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -1.429 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: 7 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -87.364207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.364207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.364207 (E_RNA) where: Base-Base interactions energy: -63.468 where: short stacking energy: -22.965 Base-Backbone interact. energy: -0.000 local terms energy: -23.896298 where: bonds (distance) C4'-P energy: -5.178 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: 1.173 tors. eta vs tors. theta energy: -5.701 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: 9 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -94.314349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.314349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.314349 (E_RNA) where: Base-Base interactions energy: -71.107 where: short stacking energy: -26.267 Base-Backbone interact. energy: -0.059 local terms energy: -23.148948 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -1.681 flat angles P-C4'-P energy: -3.099 tors. eta vs tors. theta energy: -4.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -89.838561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.838561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.838561 (E_RNA) where: Base-Base interactions energy: -67.940 where: short stacking energy: -24.223 Base-Backbone interact. energy: -0.415 local terms energy: -21.482890 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -7.354 flat angles P-C4'-P energy: 1.690 tors. eta vs tors. theta energy: -3.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -91.443871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.443871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.443871 (E_RNA) where: Base-Base interactions energy: -71.061 where: short stacking energy: -27.203 Base-Backbone interact. energy: -0.020 local terms energy: -20.362376 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: 3.125 tors. eta vs tors. theta energy: -4.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -78.334622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.334622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.334622 (E_RNA) where: Base-Base interactions energy: -51.217 where: short stacking energy: -23.000 Base-Backbone interact. energy: -0.000 local terms energy: -27.117452 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -2.926 tors. eta vs tors. theta energy: -5.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -61.733585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.733585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.733585 (E_RNA) where: Base-Base interactions energy: -35.543 where: short stacking energy: -24.539 Base-Backbone interact. energy: -0.143 local terms energy: -26.047901 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -3.756 flat angles C4'-P-C4' energy: -5.121 flat angles P-C4'-P energy: -5.220 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: 7, replica: 5 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -47.811822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.811822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.811822 (E_RNA) where: Base-Base interactions energy: -20.960 where: short stacking energy: -20.960 Base-Backbone interact. energy: -0.000 local terms energy: -26.851668 where: bonds (distance) C4'-P energy: -4.607 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -4.024 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: 8, replica: 3 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -40.266783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.266783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.266783 (E_RNA) where: Base-Base interactions energy: -18.258 where: short stacking energy: -18.258 Base-Backbone interact. energy: -0.001 local terms energy: -22.008601 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.430 flat angles C4'-P-C4' energy: -3.296 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -39.149918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.149918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.149918 (E_RNA) where: Base-Base interactions energy: -17.071 where: short stacking energy: -15.789 Base-Backbone interact. energy: -0.072 local terms energy: -22.006985 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -4.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -34.823647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.823647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.823647 (E_RNA) where: Base-Base interactions energy: -15.047 where: short stacking energy: -15.047 Base-Backbone interact. energy: -0.001 local terms energy: -19.776079 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -2.545 flat angles P-C4'-P energy: -2.532 tors. eta vs tors. theta energy: -1.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -92.758579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.758579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.758579 (E_RNA) where: Base-Base interactions energy: -70.610 where: short stacking energy: -26.628 Base-Backbone interact. energy: 0.371 local terms energy: -22.519559 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: 2.567 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -82.363086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.363086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.363086 (E_RNA) where: Base-Base interactions energy: -55.501 where: short stacking energy: -24.934 Base-Backbone interact. energy: -0.015 local terms energy: -26.847382 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -2.369 tors. eta vs tors. theta energy: -5.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -89.288844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.288844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.288844 (E_RNA) where: Base-Base interactions energy: -67.999 where: short stacking energy: -24.504 Base-Backbone interact. energy: -0.120 local terms energy: -21.169028 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -0.147 tors. eta vs tors. theta energy: -3.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -91.960738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.960738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.960738 (E_RNA) where: Base-Base interactions energy: -71.242 where: short stacking energy: -29.273 Base-Backbone interact. energy: -0.005 local terms energy: -20.714138 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: 0.227 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: 5, replica: 2 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -79.612116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.612116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.612116 (E_RNA) where: Base-Base interactions energy: -56.109 where: short stacking energy: -23.318 Base-Backbone interact. energy: -0.000 local terms energy: -23.502584 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.473 flat angles P-C4'-P energy: -0.934 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -60.194386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.194386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.194386 (E_RNA) where: Base-Base interactions energy: -30.346 where: short stacking energy: -30.346 Base-Backbone interact. energy: -0.000 local terms energy: -29.848259 where: bonds (distance) C4'-P energy: -4.573 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -7.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -45.532751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.532751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.532751 (E_RNA) where: Base-Base interactions energy: -22.910 where: short stacking energy: -17.244 Base-Backbone interact. energy: -0.009 local terms energy: -22.613568 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.084 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -2.553 tors. eta vs tors. theta energy: -2.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -49.741055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.741055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.741055 (E_RNA) where: Base-Base interactions energy: -22.847 where: short stacking energy: -22.847 Base-Backbone interact. energy: -0.001 local terms energy: -26.893159 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -2.725 tors. eta vs tors. theta energy: -5.182 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: 3 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -44.408622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.408622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.408622 (E_RNA) where: Base-Base interactions energy: -18.859 where: short stacking energy: -13.978 Base-Backbone interact. energy: -0.026 local terms energy: -25.523111 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -5.472 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -41.087786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.087786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.087786 (E_RNA) where: Base-Base interactions energy: -14.715 where: short stacking energy: -14.174 Base-Backbone interact. energy: 0.206 local terms energy: -26.579218 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -3.599 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: 1 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -82.435432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.435432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.435432 (E_RNA) where: Base-Base interactions energy: -52.962 where: short stacking energy: -21.295 Base-Backbone interact. energy: -0.000 local terms energy: -29.473014 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -4.151 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: 2, replica: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -87.838589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.838589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.838589 (E_RNA) where: Base-Base interactions energy: -68.735 where: short stacking energy: -25.887 Base-Backbone interact. energy: -0.010 local terms energy: -19.092995 where: bonds (distance) C4'-P energy: -2.722 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: 0.752 tors. eta vs tors. theta energy: -6.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -87.821771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.821771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.821771 (E_RNA) where: Base-Base interactions energy: -67.601 where: short stacking energy: -25.364 Base-Backbone interact. energy: -0.017 local terms energy: -20.203750 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -6.786 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: 1.151 tors. eta vs tors. theta energy: -2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -88.730823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.730823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.730823 (E_RNA) where: Base-Base interactions energy: -65.106 where: short stacking energy: -24.545 Base-Backbone interact. energy: -0.045 local terms energy: -23.579097 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: 0.491 tors. eta vs tors. theta energy: -4.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -82.564815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.564815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.564815 (E_RNA) where: Base-Base interactions energy: -56.376 where: short stacking energy: -20.437 Base-Backbone interact. energy: -0.001 local terms energy: -26.187762 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -4.096 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: 6, replica: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -77.643995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.643995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.643995 (E_RNA) where: Base-Base interactions energy: -56.944 where: short stacking energy: -25.482 Base-Backbone interact. energy: -0.003 local terms energy: -20.697260 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -4.924 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -1.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -52.842422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.842422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.842422 (E_RNA) where: Base-Base interactions energy: -27.040 where: short stacking energy: -19.592 Base-Backbone interact. energy: -0.025 local terms energy: -25.778219 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -1.693 tors. eta vs tors. theta energy: -3.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -41.625239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.625239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.625239 (E_RNA) where: Base-Base interactions energy: -19.667 where: short stacking energy: -13.635 Base-Backbone interact. energy: -0.032 local terms energy: -21.925711 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.465 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -41.095428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.095428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.095428 (E_RNA) where: Base-Base interactions energy: -17.254 where: short stacking energy: -17.254 Base-Backbone interact. energy: -0.009 local terms energy: -23.831789 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -2.900 tors. eta vs tors. theta energy: -2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -49.231535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.231535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.231535 (E_RNA) where: Base-Base interactions energy: -27.618 where: short stacking energy: -12.751 Base-Backbone interact. energy: -0.033 local terms energy: -21.580986 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: 1.434 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: 301 Temperature: 0.900000 Total energy: -81.533330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.533330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.533330 (E_RNA) where: Base-Base interactions energy: -58.129 where: short stacking energy: -25.611 Base-Backbone interact. energy: -0.258 local terms energy: -23.145538 where: bonds (distance) C4'-P energy: -4.361 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -2.576 tors. eta vs tors. theta energy: -3.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -93.093517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.093517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.093517 (E_RNA) where: Base-Base interactions energy: -74.758 where: short stacking energy: -28.547 Base-Backbone interact. energy: -0.002 local terms energy: -18.334269 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -4.211 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: 2.306 tors. eta vs tors. theta energy: -4.174 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: 301 Temperature: 1.000000 Total energy: -83.864717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.864717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.864717 (E_RNA) where: Base-Base interactions energy: -61.808 where: short stacking energy: -21.774 Base-Backbone interact. energy: -0.001 local terms energy: -22.055267 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -1.109 tors. eta vs tors. theta energy: -3.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -80.853224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.853224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.853224 (E_RNA) where: Base-Base interactions energy: -51.679 where: short stacking energy: -22.448 Base-Backbone interact. energy: -0.000 local terms energy: -29.173720 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -5.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -88.951924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.951924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.951924 (E_RNA) where: Base-Base interactions energy: -66.965 where: short stacking energy: -23.795 Base-Backbone interact. energy: -0.009 local terms energy: -21.978765 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: 0.681 tors. eta vs tors. theta energy: -3.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -73.859283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.859283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.859283 (E_RNA) where: Base-Base interactions energy: -50.162 where: short stacking energy: -18.326 Base-Backbone interact. energy: -0.833 local terms energy: -22.864168 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -4.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -40.813196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.813196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.813196 (E_RNA) where: Base-Base interactions energy: -17.442 where: short stacking energy: -16.142 Base-Backbone interact. energy: -0.122 local terms energy: -23.248830 where: bonds (distance) C4'-P energy: -4.002 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -2.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -57.441209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.441209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.441209 (E_RNA) where: Base-Base interactions energy: -30.998 where: short stacking energy: -20.106 Base-Backbone interact. energy: -0.065 local terms energy: -26.378085 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -4.181 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: 6 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -44.932417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.932417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.932417 (E_RNA) where: Base-Base interactions energy: -21.473 where: short stacking energy: -21.473 Base-Backbone interact. energy: -0.000 local terms energy: -23.459403 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -2.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -43.697146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.697146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.697146 (E_RNA) where: Base-Base interactions energy: -19.957 where: short stacking energy: -16.609 Base-Backbone interact. energy: -0.018 local terms energy: -23.721835 where: bonds (distance) C4'-P energy: -1.944 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -3.114 tors. eta vs tors. theta energy: -5.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -95.919257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.919257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.919257 (E_RNA) where: Base-Base interactions energy: -72.996 where: short stacking energy: -26.743 Base-Backbone interact. energy: -0.005 local terms energy: -22.918142 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: 0.880 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: 2, replica: 1 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -88.929687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.929687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.929687 (E_RNA) where: Base-Base interactions energy: -60.713 where: short stacking energy: -24.498 Base-Backbone interact. energy: -0.000 local terms energy: -28.216758 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -7.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -79.402822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.402822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.402822 (E_RNA) where: Base-Base interactions energy: -56.260 where: short stacking energy: -20.971 Base-Backbone interact. energy: -0.006 local terms energy: -23.137157 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -2.777 flat angles P-C4'-P energy: -2.338 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: 4, replica: 7 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -77.406096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.406096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.406096 (E_RNA) where: Base-Base interactions energy: -48.844 where: short stacking energy: -21.626 Base-Backbone interact. energy: -0.010 local terms energy: -28.552959 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -6.474 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -5.327 tors. eta vs tors. theta energy: -5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -78.220778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.220778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.220778 (E_RNA) where: Base-Base interactions energy: -54.870 where: short stacking energy: -23.581 Base-Backbone interact. energy: -0.001 local terms energy: -23.349396 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -5.980 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -1.562 tors. eta vs tors. theta energy: -5.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -84.641470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.641470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.641470 (E_RNA) where: Base-Base interactions energy: -64.418 where: short stacking energy: -25.513 Base-Backbone interact. energy: -0.019 local terms energy: -20.204524 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -2.725 flat angles P-C4'-P energy: -1.131 tors. eta vs tors. theta energy: -4.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -57.501709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.501709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.501709 (E_RNA) where: Base-Base interactions energy: -31.801 where: short stacking energy: -31.801 Base-Backbone interact. energy: -0.000 local terms energy: -25.700184 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -2.533 tors. eta vs tors. theta energy: -7.300 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: 4 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -41.146795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.146795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.146795 (E_RNA) where: Base-Base interactions energy: -16.601 where: short stacking energy: -13.883 Base-Backbone interact. energy: -0.018 local terms energy: -24.527328 where: bonds (distance) C4'-P energy: -6.381 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -3.786 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: 3 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -41.402330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.402330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.402330 (E_RNA) where: Base-Base interactions energy: -17.686 where: short stacking energy: -11.132 Base-Backbone interact. energy: -0.123 local terms energy: -23.593311 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: 2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -42.789308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.789308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.789308 (E_RNA) where: Base-Base interactions energy: -19.709 where: short stacking energy: -19.709 Base-Backbone interact. energy: -0.002 local terms energy: -23.078542 where: bonds (distance) C4'-P energy: -2.842 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: -4.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -92.080462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.080462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.080462 (E_RNA) where: Base-Base interactions energy: -68.974 where: short stacking energy: -26.252 Base-Backbone interact. energy: -0.002 local terms energy: -23.104433 where: bonds (distance) C4'-P energy: -4.064 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -0.013 tors. eta vs tors. theta energy: -5.888 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: 5 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -96.889286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.889286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.889286 (E_RNA) where: Base-Base interactions energy: -72.233 where: short stacking energy: -28.035 Base-Backbone interact. energy: -0.092 local terms energy: -24.564485 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -0.291 tors. eta vs tors. theta energy: -3.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -82.924831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.924831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.924831 (E_RNA) where: Base-Base interactions energy: -58.994 where: short stacking energy: -24.686 Base-Backbone interact. energy: -0.000 local terms energy: -23.930392 where: bonds (distance) C4'-P energy: -4.382 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -3.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -82.931327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.931327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.931327 (E_RNA) where: Base-Base interactions energy: -58.849 where: short stacking energy: -21.952 Base-Backbone interact. energy: -0.035 local terms energy: -24.047487 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.265 flat angles P-C4'-P energy: 1.886 tors. eta vs tors. theta energy: -5.729 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: 7 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -81.947317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.947317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.947317 (E_RNA) where: Base-Base interactions energy: -53.915 where: short stacking energy: -23.233 Base-Backbone interact. energy: -0.000 local terms energy: -28.032074 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -3.913 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: 6, replica: 8 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -47.521085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.521085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.521085 (E_RNA) where: Base-Base interactions energy: -20.749 where: short stacking energy: -20.749 Base-Backbone interact. energy: -0.005 local terms energy: -26.767313 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -76.022865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.022865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.022865 (E_RNA) where: Base-Base interactions energy: -52.440 where: short stacking energy: -19.728 Base-Backbone interact. energy: -0.102 local terms energy: -23.480977 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -0.329 tors. eta vs tors. theta energy: -4.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -40.580761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.580761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.580761 (E_RNA) where: Base-Base interactions energy: -17.848 where: short stacking energy: -17.848 Base-Backbone interact. energy: -0.007 local terms energy: -22.726090 where: bonds (distance) C4'-P energy: -1.028 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: -4.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -41.140170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.140170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.140170 (E_RNA) where: Base-Base interactions energy: -17.641 where: short stacking energy: -17.641 Base-Backbone interact. energy: -0.029 local terms energy: -23.469792 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -5.879 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -2.599 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: 6 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -72.756392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.756392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.756392 (E_RNA) where: Base-Base interactions energy: -49.603 where: short stacking energy: -19.256 Base-Backbone interact. energy: -0.012 local terms energy: -23.141263 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -3.746 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -99.583020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.583020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.583020 (E_RNA) where: Base-Base interactions energy: -74.658 where: short stacking energy: -28.853 Base-Backbone interact. energy: -0.005 local terms energy: -24.919414 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: 0.016 tors. eta vs tors. theta energy: -5.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -96.328744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.328744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.328744 (E_RNA) where: Base-Base interactions energy: -74.461 where: short stacking energy: -29.471 Base-Backbone interact. energy: -0.006 local terms energy: -21.861399 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.671 flat angles P-C4'-P energy: 1.305 tors. eta vs tors. theta energy: -5.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -84.971160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.971160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.971160 (E_RNA) where: Base-Base interactions energy: -62.142 where: short stacking energy: -19.504 Base-Backbone interact. energy: -0.028 local terms energy: -22.801087 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: 0.154 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: 4, replica: 1 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -84.708736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.708736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.708736 (E_RNA) where: Base-Base interactions energy: -60.628 where: short stacking energy: -24.146 Base-Backbone interact. energy: -0.008 local terms energy: -24.072315 where: bonds (distance) C4'-P energy: -4.440 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -2.585 tors. eta vs tors. theta energy: -3.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -58.506539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.506539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.506539 (E_RNA) where: Base-Base interactions energy: -35.913 where: short stacking energy: -14.153 Base-Backbone interact. energy: -0.002 local terms energy: -22.592270 where: bonds (distance) C4'-P energy: -4.677 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -2.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -52.684364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.684364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.684364 (E_RNA) where: Base-Base interactions energy: -23.636 where: short stacking energy: -16.999 Base-Backbone interact. energy: -0.619 local terms energy: -28.429496 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -5.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -75.303407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.303407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.303407 (E_RNA) where: Base-Base interactions energy: -51.341 where: short stacking energy: -18.139 Base-Backbone interact. energy: -0.033 local terms energy: -23.929893 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -2.737 tors. eta vs tors. theta energy: -1.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -44.067685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.067685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.067685 (E_RNA) where: Base-Base interactions energy: -23.526 where: short stacking energy: -23.526 Base-Backbone interact. energy: -0.057 local terms energy: -20.484007 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -3.544 flat angles P-C4'-P energy: -3.255 tors. eta vs tors. theta energy: -1.322 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: 6 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -74.303954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.303954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.303954 (E_RNA) where: Base-Base interactions energy: -47.763 where: short stacking energy: -18.105 Base-Backbone interact. energy: -0.133 local terms energy: -26.408159 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: -4.071 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: 4 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -40.808514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.808514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.808514 (E_RNA) where: Base-Base interactions energy: -18.008 where: short stacking energy: -18.008 Base-Backbone interact. energy: 0.389 local terms energy: -23.189396 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -5.609 flat angles C4'-P-C4' energy: -3.718 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -3.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -94.417430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.417430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.417430 (E_RNA) where: Base-Base interactions energy: -73.537 where: short stacking energy: -28.658 Base-Backbone interact. energy: -0.001 local terms energy: -20.879567 where: bonds (distance) C4'-P energy: -5.579 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: 2.111 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: 2, replica: 2 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -87.797819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.797819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.797819 (E_RNA) where: Base-Base interactions energy: -61.869 where: short stacking energy: -22.660 Base-Backbone interact. energy: -0.002 local terms energy: -25.926740 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -2.111 tors. eta vs tors. theta energy: -5.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -83.333229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.333229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.333229 (E_RNA) where: Base-Base interactions energy: -55.099 where: short stacking energy: -25.960 Base-Backbone interact. energy: -0.001 local terms energy: -28.233675 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -5.395 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: 305 Temperature: 1.050000 Total energy: -82.268670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.268670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.268670 (E_RNA) where: Base-Base interactions energy: -57.140 where: short stacking energy: -22.698 Base-Backbone interact. energy: -0.001 local terms energy: -25.127708 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -3.580 tors. eta vs tors. theta energy: -0.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -45.438885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.438885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.438885 (E_RNA) where: Base-Base interactions energy: -19.068 where: short stacking energy: -18.792 Base-Backbone interact. energy: 0.350 local terms energy: -26.721065 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -3.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -69.540774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.540774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.540774 (E_RNA) where: Base-Base interactions energy: -47.681 where: short stacking energy: -17.353 Base-Backbone interact. energy: -0.200 local terms energy: -21.659798 where: bonds (distance) C4'-P energy: -4.548 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.431 flat angles P-C4'-P energy: -5.548 tors. eta vs tors. theta energy: -2.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -52.739324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.739324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.739324 (E_RNA) where: Base-Base interactions energy: -32.408 where: short stacking energy: -19.947 Base-Backbone interact. energy: -0.001 local terms energy: -20.330043 where: bonds (distance) C4'-P energy: -4.146 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -1.563 flat angles P-C4'-P energy: -5.377 tors. eta vs tors. theta energy: -2.158 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: 6 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -49.997293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.997293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.997293 (E_RNA) where: Base-Base interactions energy: -21.497 where: short stacking energy: -21.497 Base-Backbone interact. energy: -0.122 local terms energy: -28.377634 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -5.438 tors. eta vs tors. theta energy: -3.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -43.677244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.677244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.677244 (E_RNA) where: Base-Base interactions energy: -19.252 where: short stacking energy: -19.252 Base-Backbone interact. energy: -0.009 local terms energy: -24.416038 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -5.023 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -4.928 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: 10, replica: 4 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -38.769865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.769865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.769865 (E_RNA) where: Base-Base interactions energy: -18.918 where: short stacking energy: -18.918 Base-Backbone interact. energy: -0.136 local terms energy: -19.716058 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -2.657 flat angles P-C4'-P energy: -3.945 tors. eta vs tors. theta energy: -1.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -96.908603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.908603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.908603 (E_RNA) where: Base-Base interactions energy: -71.561 where: short stacking energy: -27.036 Base-Backbone interact. energy: -0.002 local terms energy: -25.345655 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.893 flat angles P-C4'-P energy: 0.344 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: 2, replica: 2 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -84.673875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.673875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.673875 (E_RNA) where: Base-Base interactions energy: -57.973 where: short stacking energy: -26.920 Base-Backbone interact. energy: -0.000 local terms energy: -26.700430 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -3.215 tors. eta vs tors. theta energy: -5.396 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: 1 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -78.787107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.787107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.787107 (E_RNA) where: Base-Base interactions energy: -50.204 where: short stacking energy: -21.962 Base-Backbone interact. energy: -0.005 local terms energy: -28.577668 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.014 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -4.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -83.832882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.832882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.832882 (E_RNA) where: Base-Base interactions energy: -54.417 where: short stacking energy: -24.144 Base-Backbone interact. energy: -0.001 local terms energy: -29.415135 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -55.287137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.287137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.287137 (E_RNA) where: Base-Base interactions energy: -28.863 where: short stacking energy: -11.645 Base-Backbone interact. energy: -0.007 local terms energy: -26.417273 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -5.313 tors. eta vs tors. theta energy: -0.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -57.257930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.257930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.257930 (E_RNA) where: Base-Base interactions energy: -26.858 where: short stacking energy: -26.858 Base-Backbone interact. energy: -0.000 local terms energy: -30.400359 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.246 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -7.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -45.821479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.821479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.821479 (E_RNA) where: Base-Base interactions energy: -21.035 where: short stacking energy: -21.035 Base-Backbone interact. energy: -0.003 local terms energy: -24.783379 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -2.318 tors. eta vs tors. theta energy: -1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -47.330614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.330614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.330614 (E_RNA) where: Base-Base interactions energy: -20.940 where: short stacking energy: -20.940 Base-Backbone interact. energy: -0.044 local terms energy: -26.347303 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -1.438 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: 9, replica: 4 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -42.602525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.602525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.602525 (E_RNA) where: Base-Base interactions energy: -19.818 where: short stacking energy: -19.818 Base-Backbone interact. energy: -0.001 local terms energy: -22.783060 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -1.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -46.864731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.864731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.864731 (E_RNA) where: Base-Base interactions energy: -21.976 where: short stacking energy: -21.976 Base-Backbone interact. energy: -0.001 local terms energy: -24.887666 where: bonds (distance) C4'-P energy: -3.959 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -3.545 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: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -97.097765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.097765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.097765 (E_RNA) where: Base-Base interactions energy: -72.634 where: short stacking energy: -28.107 Base-Backbone interact. energy: -0.015 local terms energy: -24.448826 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: 1.594 tors. eta vs tors. theta energy: -6.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -85.461599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.461599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.461599 (E_RNA) where: Base-Base interactions energy: -60.707 where: short stacking energy: -22.517 Base-Backbone interact. energy: -0.000 local terms energy: -24.754343 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -0.535 tors. eta vs tors. theta energy: -4.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -88.812032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.812032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.812032 (E_RNA) where: Base-Base interactions energy: -63.049 where: short stacking energy: -23.801 Base-Backbone interact. energy: 0.499 local terms energy: -26.262336 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: 2.738 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: 4, replica: 10 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -77.953082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.953082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.953082 (E_RNA) where: Base-Base interactions energy: -50.548 where: short stacking energy: -17.758 Base-Backbone interact. energy: -0.094 local terms energy: -27.310593 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -4.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -78.864395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.864395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.864395 (E_RNA) where: Base-Base interactions energy: -51.322 where: short stacking energy: -22.975 Base-Backbone interact. energy: 0.554 local terms energy: -28.096407 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -4.096 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: 6, replica: 8 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -47.294799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.294799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.294799 (E_RNA) where: Base-Base interactions energy: -20.446 where: short stacking energy: -20.446 Base-Backbone interact. energy: -0.000 local terms energy: -26.849112 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -1.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -45.622664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.622664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.622664 (E_RNA) where: Base-Base interactions energy: -17.837 where: short stacking energy: -17.837 Base-Backbone interact. energy: -0.026 local terms energy: -27.759819 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -52.825328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.825328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.825328 (E_RNA) where: Base-Base interactions energy: -25.978 where: short stacking energy: -25.864 Base-Backbone interact. energy: -0.002 local terms energy: -26.844662 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -5.338 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: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -72.228845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.228845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.228845 (E_RNA) where: Base-Base interactions energy: -57.468 where: short stacking energy: -21.297 Base-Backbone interact. energy: -0.006 local terms energy: -14.754943 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: 0.928 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -1.117 tors. eta vs tors. theta energy: -5.552 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: 10, replica: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -37.795059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.795059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.795059 (E_RNA) where: Base-Base interactions energy: -17.869 where: short stacking energy: -17.869 Base-Backbone interact. energy: -0.023 local terms energy: -19.903028 where: bonds (distance) C4'-P energy: -5.049 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -2.807 tors. eta vs tors. theta energy: -0.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -89.882313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.882313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.882313 (E_RNA) where: Base-Base interactions energy: -62.725 where: short stacking energy: -21.374 Base-Backbone interact. energy: -0.023 local terms energy: -27.133764 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -2.080 tors. eta vs tors. theta energy: -7.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -93.154868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.154868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.154868 (E_RNA) where: Base-Base interactions energy: -65.507 where: short stacking energy: -25.643 Base-Backbone interact. energy: 0.153 local terms energy: -27.800919 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.307 flat angles P-C4'-P energy: -2.576 tors. eta vs tors. theta energy: -3.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -79.420586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.420586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.420586 (E_RNA) where: Base-Base interactions energy: -51.539 where: short stacking energy: -23.530 Base-Backbone interact. energy: -0.003 local terms energy: -27.878816 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -81.427255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.427255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.427255 (E_RNA) where: Base-Base interactions energy: -54.212 where: short stacking energy: -22.707 Base-Backbone interact. energy: -0.003 local terms energy: -27.212222 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -4.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -76.581733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.581733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.581733 (E_RNA) where: Base-Base interactions energy: -47.366 where: short stacking energy: -20.801 Base-Backbone interact. energy: -0.070 local terms energy: -29.145463 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -5.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -51.018722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.018722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.018722 (E_RNA) where: Base-Base interactions energy: -22.343 where: short stacking energy: -17.149 Base-Backbone interact. energy: -0.002 local terms energy: -28.673900 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -4.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -54.200525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.200525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.200525 (E_RNA) where: Base-Base interactions energy: -25.646 where: short stacking energy: -25.646 Base-Backbone interact. energy: -0.000 local terms energy: -28.553968 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -5.756 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: 8, replica: 6 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -48.001091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.001091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.001091 (E_RNA) where: Base-Base interactions energy: -21.758 where: short stacking energy: -21.758 Base-Backbone interact. energy: -0.005 local terms energy: -26.237705 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -40.510045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.510045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.510045 (E_RNA) where: Base-Base interactions energy: -15.881 where: short stacking energy: -15.881 Base-Backbone interact. energy: -0.070 local terms energy: -24.558826 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -4.630 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -43.126465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.126465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.126465 (E_RNA) where: Base-Base interactions energy: -25.538 where: short stacking energy: -13.348 Base-Backbone interact. energy: -0.015 local terms energy: -17.573224 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -1.253 flat angles P-C4'-P energy: -3.945 tors. eta vs tors. theta energy: 0.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -80.775926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.775926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.775926 (E_RNA) where: Base-Base interactions energy: -51.814 where: short stacking energy: -23.193 Base-Backbone interact. energy: -0.002 local terms energy: -28.959769 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -2.389 tors. eta vs tors. theta energy: -7.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -95.959639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.959639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.959639 (E_RNA) where: Base-Base interactions energy: -68.799 where: short stacking energy: -27.603 Base-Backbone interact. energy: -0.098 local terms energy: -27.062579 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -3.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -79.309928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.309928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.309928 (E_RNA) where: Base-Base interactions energy: -50.647 where: short stacking energy: -23.914 Base-Backbone interact. energy: -0.002 local terms energy: -28.660874 where: bonds (distance) C4'-P energy: -5.041 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.561 flat angles P-C4'-P energy: -5.671 tors. eta vs tors. theta energy: -3.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -83.157334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.157334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.157334 (E_RNA) where: Base-Base interactions energy: -60.302 where: short stacking energy: -22.211 Base-Backbone interact. energy: 0.298 local terms energy: -23.153749 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -2.266 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -4.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -79.639531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.639531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.639531 (E_RNA) where: Base-Base interactions energy: -50.893 where: short stacking energy: -23.023 Base-Backbone interact. energy: -0.002 local terms energy: -28.744274 where: bonds (distance) C4'-P energy: -5.330 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.553 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -4.607 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: 4 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -49.964113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.964113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.964113 (E_RNA) where: Base-Base interactions energy: -23.019 where: short stacking energy: -23.019 Base-Backbone interact. energy: -0.002 local terms energy: -26.943733 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -5.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -42.530120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.530120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.530120 (E_RNA) where: Base-Base interactions energy: -15.969 where: short stacking energy: -15.969 Base-Backbone interact. energy: -0.100 local terms energy: -26.460858 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -3.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -39.162549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.162549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.162549 (E_RNA) where: Base-Base interactions energy: -18.971 where: short stacking energy: -18.971 Base-Backbone interact. energy: -0.000 local terms energy: -20.191585 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -3.792 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -3.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -38.599779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.599779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.599779 (E_RNA) where: Base-Base interactions energy: -18.701 where: short stacking energy: -18.701 Base-Backbone interact. energy: -0.030 local terms energy: -19.869725 where: bonds (distance) C4'-P energy: -4.362 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -4.969 tors. eta vs tors. theta energy: -0.029 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: 7 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -43.715812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.715812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.715812 (E_RNA) where: Base-Base interactions energy: -21.249 where: short stacking energy: -21.249 Base-Backbone interact. energy: -0.000 local terms energy: -22.466228 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -3.915 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -3.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -84.682909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.682909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.682909 (E_RNA) where: Base-Base interactions energy: -60.238 where: short stacking energy: -23.798 Base-Backbone interact. energy: -0.005 local terms energy: -24.439882 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: 1.026 tors. eta vs tors. theta energy: -5.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -84.432064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.432064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.432064 (E_RNA) where: Base-Base interactions energy: -54.168 where: short stacking energy: -23.351 Base-Backbone interact. energy: -0.003 local terms energy: -30.261125 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.843 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -6.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -80.198179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.198179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.198179 (E_RNA) where: Base-Base interactions energy: -49.929 where: short stacking energy: -21.789 Base-Backbone interact. energy: -0.011 local terms energy: -30.258116 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: -3.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -81.363959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.363959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.363959 (E_RNA) where: Base-Base interactions energy: -54.067 where: short stacking energy: -23.250 Base-Backbone interact. energy: -0.001 local terms energy: -27.296696 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -4.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -80.587612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.587612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.587612 (E_RNA) where: Base-Base interactions energy: -55.546 where: short stacking energy: -25.077 Base-Backbone interact. energy: -0.361 local terms energy: -24.681009 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -3.114 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -5.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -49.808889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.808889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.808889 (E_RNA) where: Base-Base interactions energy: -20.432 where: short stacking energy: -20.432 Base-Backbone interact. energy: -0.000 local terms energy: -29.376355 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -5.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -44.562424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.562424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.562424 (E_RNA) where: Base-Base interactions energy: -18.132 where: short stacking energy: -18.132 Base-Backbone interact. energy: -0.115 local terms energy: -26.315949 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -5.663 tors. eta vs tors. theta energy: -1.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -46.306679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.306679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.306679 (E_RNA) where: Base-Base interactions energy: -22.091 where: short stacking energy: -22.091 Base-Backbone interact. energy: -0.001 local terms energy: -24.215373 where: bonds (distance) C4'-P energy: -2.959 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -3.985 tors. eta vs tors. theta energy: -2.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -43.526821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.526821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.526821 (E_RNA) where: Base-Base interactions energy: -21.420 where: short stacking energy: -21.420 Base-Backbone interact. energy: -0.024 local terms energy: -22.082454 where: bonds (distance) C4'-P energy: -1.041 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -0.964 tors. eta vs tors. theta energy: -5.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -38.753003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.753003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.753003 (E_RNA) where: Base-Base interactions energy: -22.553 where: short stacking energy: -15.368 Base-Backbone interact. energy: -0.102 local terms energy: -16.097826 where: bonds (distance) C4'-P energy: -2.991 bonds (distance) P-C4' energy: -3.378 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -82.984110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.984110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.984110 (E_RNA) where: Base-Base interactions energy: -55.976 where: short stacking energy: -17.761 Base-Backbone interact. energy: -0.176 local terms energy: -26.831371 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -1.823 tors. eta vs tors. theta energy: -3.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -83.378519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.378519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.378519 (E_RNA) where: Base-Base interactions energy: -58.658 where: short stacking energy: -21.736 Base-Backbone interact. energy: -0.001 local terms energy: -24.719895 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -2.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -85.338496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.338496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.338496 (E_RNA) where: Base-Base interactions energy: -62.562 where: short stacking energy: -22.543 Base-Backbone interact. energy: -0.054 local terms energy: -22.722055 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -5.535 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: 0.063 tors. eta vs tors. theta energy: -5.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -81.624039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.624039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.624039 (E_RNA) where: Base-Base interactions energy: -58.962 where: short stacking energy: -25.743 Base-Backbone interact. energy: -0.001 local terms energy: -22.661622 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -0.607 tors. eta vs tors. theta energy: -4.617 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: 10 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -78.792950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.792950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.792950 (E_RNA) where: Base-Base interactions energy: -55.256 where: short stacking energy: -22.111 Base-Backbone interact. energy: -0.009 local terms energy: -23.527602 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -0.594 tors. eta vs tors. theta energy: -2.235 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: 3 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -49.040509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.040509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.040509 (E_RNA) where: Base-Base interactions energy: -27.934 where: short stacking energy: -20.021 Base-Backbone interact. energy: -0.017 local terms energy: -21.089744 where: bonds (distance) C4'-P energy: -3.765 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -4.353 flat angles P-C4'-P energy: -5.150 tors. eta vs tors. theta energy: -1.800 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: 4 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -47.924568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.924568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.924568 (E_RNA) where: Base-Base interactions energy: -23.625 where: short stacking energy: -23.625 Base-Backbone interact. energy: -0.000 local terms energy: -24.299391 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -2.958 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -3.279 tors. eta vs tors. theta energy: -4.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -35.948904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.948904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.948904 (E_RNA) where: Base-Base interactions energy: -15.142 where: short stacking energy: -15.142 Base-Backbone interact. energy: -0.072 local terms energy: -20.735597 where: bonds (distance) C4'-P energy: -4.473 bonds (distance) P-C4' energy: -6.081 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -1.418 tors. eta vs tors. theta energy: -1.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -44.913570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.913570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.913570 (E_RNA) where: Base-Base interactions energy: -20.157 where: short stacking energy: -20.157 Base-Backbone interact. energy: -0.000 local terms energy: -24.756689 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -3.539 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: 6 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -40.595589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.595589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.595589 (E_RNA) where: Base-Base interactions energy: -20.331 where: short stacking energy: -20.331 Base-Backbone interact. energy: -0.000 local terms energy: -20.264648 where: bonds (distance) C4'-P energy: -1.323 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -3.270 flat angles P-C4'-P energy: -3.147 tors. eta vs tors. theta energy: -6.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -83.649842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.649842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.649842 (E_RNA) where: Base-Base interactions energy: -60.506 where: short stacking energy: -24.517 Base-Backbone interact. energy: -0.000 local terms energy: -23.143748 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -1.987 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: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -80.041845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.041845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.041845 (E_RNA) where: Base-Base interactions energy: -50.874 where: short stacking energy: -22.999 Base-Backbone interact. energy: -0.006 local terms energy: -29.162078 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: -6.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -87.540362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.540362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.540362 (E_RNA) where: Base-Base interactions energy: -65.155 where: short stacking energy: -24.994 Base-Backbone interact. energy: -0.012 local terms energy: -22.373840 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: 1.450 tors. eta vs tors. theta energy: -4.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -86.143996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.143996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.143996 (E_RNA) where: Base-Base interactions energy: -67.878 where: short stacking energy: -25.415 Base-Backbone interact. energy: -0.016 local terms energy: -18.249314 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -4.719 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: 2.213 tors. eta vs tors. theta energy: -4.986 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: 5, replica: 10 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -78.758111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.758111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.758111 (E_RNA) where: Base-Base interactions energy: -51.159 where: short stacking energy: -23.869 Base-Backbone interact. energy: -0.011 local terms energy: -27.589017 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: -5.300 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: 3 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -68.500122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.500122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.500122 (E_RNA) where: Base-Base interactions energy: -42.797 where: short stacking energy: -27.396 Base-Backbone interact. energy: -0.001 local terms energy: -25.702155 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -3.827 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -4.882 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -53.084862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.084862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.084862 (E_RNA) where: Base-Base interactions energy: -26.709 where: short stacking energy: -26.709 Base-Backbone interact. energy: -0.000 local terms energy: -26.375650 where: bonds (distance) C4'-P energy: -6.420 bonds (distance) P-C4' energy: -5.784 flat angles C4'-P-C4' energy: -4.615 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -5.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -43.485592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.485592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.485592 (E_RNA) where: Base-Base interactions energy: -21.405 where: short stacking energy: -11.167 Base-Backbone interact. energy: -0.416 local terms energy: -21.664803 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -5.974 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -1.915 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -43.445521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.445521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.445521 (E_RNA) where: Base-Base interactions energy: -19.523 where: short stacking energy: -19.523 Base-Backbone interact. energy: -0.000 local terms energy: -23.921999 where: bonds (distance) C4'-P energy: -2.966 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -4.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -47.947261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.947261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.947261 (E_RNA) where: Base-Base interactions energy: -19.090 where: short stacking energy: -19.090 Base-Backbone interact. energy: -0.000 local terms energy: -28.857148 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -2.494 tors. eta vs tors. theta energy: -6.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -84.822425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.822425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.822425 (E_RNA) where: Base-Base interactions energy: -56.759 where: short stacking energy: -21.875 Base-Backbone interact. energy: -0.001 local terms energy: -28.062946 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -2.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -79.520750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.520750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.520750 (E_RNA) where: Base-Base interactions energy: -57.182 where: short stacking energy: -20.098 Base-Backbone interact. energy: -0.001 local terms energy: -22.337321 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -1.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -82.847916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.847916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.847916 (E_RNA) where: Base-Base interactions energy: -60.604 where: short stacking energy: -24.228 Base-Backbone interact. energy: -0.000 local terms energy: -22.243951 where: bonds (distance) C4'-P energy: -2.825 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -4.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -81.891043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.891043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.891043 (E_RNA) where: Base-Base interactions energy: -58.604 where: short stacking energy: -20.959 Base-Backbone interact. energy: -0.000 local terms energy: -23.286532 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -0.467 tors. eta vs tors. theta energy: -4.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -79.242573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.242573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.242573 (E_RNA) where: Base-Base interactions energy: -55.351 where: short stacking energy: -19.428 Base-Backbone interact. energy: -0.028 local terms energy: -23.863302 where: bonds (distance) C4'-P energy: -5.190 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -2.545 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: 313 Temperature: 1.150000 Total energy: -52.961455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.961455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.961455 (E_RNA) where: Base-Base interactions energy: -26.613 where: short stacking energy: -26.613 Base-Backbone interact. energy: -0.002 local terms energy: -26.346371 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -2.533 tors. eta vs tors. theta energy: -5.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -42.434249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.434249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.434249 (E_RNA) where: Base-Base interactions energy: -15.615 where: short stacking energy: -15.615 Base-Backbone interact. energy: -0.009 local terms energy: -26.810013 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: -3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -43.116977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.116977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.116977 (E_RNA) where: Base-Base interactions energy: -22.415 where: short stacking energy: -22.415 Base-Backbone interact. energy: -0.000 local terms energy: -20.702110 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -2.391 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -1.427 tors. eta vs tors. theta energy: -6.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -40.875532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.875532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.875532 (E_RNA) where: Base-Base interactions energy: -19.261 where: short stacking energy: -12.888 Base-Backbone interact. energy: -0.080 local terms energy: -21.534037 where: bonds (distance) C4'-P energy: -3.331 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -2.635 tors. eta vs tors. theta energy: -1.977 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: 8 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -42.152493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.152493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.152493 (E_RNA) where: Base-Base interactions energy: -12.217 where: short stacking energy: -12.150 Base-Backbone interact. energy: -0.717 local terms energy: -29.218708 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -3.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -93.895408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.895408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.895408 (E_RNA) where: Base-Base interactions energy: -72.294 where: short stacking energy: -26.882 Base-Backbone interact. energy: -0.007 local terms energy: -21.594881 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -6.473 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: 1.288 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: 2, replica: 9 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -80.286775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.286775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.286775 (E_RNA) where: Base-Base interactions energy: -54.031 where: short stacking energy: -24.554 Base-Backbone interact. energy: -0.075 local terms energy: -26.180386 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.446 flat angles P-C4'-P energy: -2.714 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: 3, replica: 1 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -86.393125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.393125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.393125 (E_RNA) where: Base-Base interactions energy: -61.130 where: short stacking energy: -20.013 Base-Backbone interact. energy: -0.001 local terms energy: -25.262715 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -6.657 flat angles P-C4'-P energy: -1.651 tors. eta vs tors. theta energy: -6.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -82.561439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.561439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.561439 (E_RNA) where: Base-Base interactions energy: -61.674 where: short stacking energy: -21.317 Base-Backbone interact. energy: -0.047 local terms energy: -20.839955 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -0.956 tors. eta vs tors. theta energy: -3.288 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: 7 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -52.698922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.698922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.698922 (E_RNA) where: Base-Base interactions energy: -24.822 where: short stacking energy: -24.822 Base-Backbone interact. energy: -0.090 local terms energy: -27.786523 where: bonds (distance) C4'-P energy: -4.883 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -5.804 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: 6, replica: 10 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -83.544991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.544991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.544991 (E_RNA) where: Base-Base interactions energy: -58.535 where: short stacking energy: -19.703 Base-Backbone interact. energy: -0.011 local terms energy: -24.999036 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -6.565 flat angles C4'-P-C4' energy: -6.807 flat angles P-C4'-P energy: -1.411 tors. eta vs tors. theta energy: -3.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -46.691727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.691727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.691727 (E_RNA) where: Base-Base interactions energy: -20.032 where: short stacking energy: -19.841 Base-Backbone interact. energy: -0.000 local terms energy: -26.659501 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: -5.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -50.478734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.478734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.478734 (E_RNA) where: Base-Base interactions energy: -21.736 where: short stacking energy: -21.736 Base-Backbone interact. energy: -0.002 local terms energy: -28.740537 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.150 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -49.338628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.338628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.338628 (E_RNA) where: Base-Base interactions energy: -19.697 where: short stacking energy: -19.697 Base-Backbone interact. energy: -0.042 local terms energy: -29.600234 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -6.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -43.800399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.800399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.800399 (E_RNA) where: Base-Base interactions energy: -16.556 where: short stacking energy: -14.197 Base-Backbone interact. energy: -0.071 local terms energy: -27.173192 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -2.730 tors. eta vs tors. theta energy: -4.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -94.562039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.562039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.562039 (E_RNA) where: Base-Base interactions energy: -72.079 where: short stacking energy: -26.904 Base-Backbone interact. energy: -0.010 local terms energy: -22.473749 where: bonds (distance) C4'-P energy: -4.159 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: 0.730 tors. eta vs tors. theta energy: -5.440 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: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -88.113213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.113213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.113213 (E_RNA) where: Base-Base interactions energy: -64.901 where: short stacking energy: -24.971 Base-Backbone interact. energy: -0.481 local terms energy: -22.731583 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -1.431 tors. eta vs tors. theta energy: -2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -90.480473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.480473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.480473 (E_RNA) where: Base-Base interactions energy: -67.834 where: short stacking energy: -27.083 Base-Backbone interact. energy: -0.004 local terms energy: -22.641695 where: bonds (distance) C4'-P energy: -5.048 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -1.166 tors. eta vs tors. theta energy: -2.473 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: 4, replica: 5 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -81.528628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.528628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.528628 (E_RNA) where: Base-Base interactions energy: -54.687 where: short stacking energy: -24.924 Base-Backbone interact. energy: -0.000 local terms energy: -26.841014 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -3.771 tors. eta vs tors. theta energy: -4.151 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: 7 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -46.853081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.853081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.853081 (E_RNA) where: Base-Base interactions energy: -20.259 where: short stacking energy: -20.259 Base-Backbone interact. energy: -0.000 local terms energy: -26.593471 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -5.685 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -2.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -78.317959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.317959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.317959 (E_RNA) where: Base-Base interactions energy: -55.687 where: short stacking energy: -21.424 Base-Backbone interact. energy: -0.000 local terms energy: -22.630541 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -0.226 tors. eta vs tors. theta energy: -5.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -44.676570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.676570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.676570 (E_RNA) where: Base-Base interactions energy: -19.879 where: short stacking energy: -19.879 Base-Backbone interact. energy: -0.022 local terms energy: -24.775579 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -1.360 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: 8 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -53.479582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.479582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.479582 (E_RNA) where: Base-Base interactions energy: -25.715 where: short stacking energy: -21.128 Base-Backbone interact. energy: -0.044 local terms energy: -27.719635 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -4.631 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: 9, replica: 3 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -46.814913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.814913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.814913 (E_RNA) where: Base-Base interactions energy: -22.220 where: short stacking energy: -16.731 Base-Backbone interact. energy: -0.001 local terms energy: -24.594395 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -3.030 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: 4 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -35.294954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.294954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.294954 (E_RNA) where: Base-Base interactions energy: -14.493 where: short stacking energy: -14.493 Base-Backbone interact. energy: -0.107 local terms energy: -20.694957 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -4.691 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -0.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -97.121367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.121367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.121367 (E_RNA) where: Base-Base interactions energy: -73.585 where: short stacking energy: -28.173 Base-Backbone interact. energy: -0.911 local terms energy: -22.624668 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: 1.030 tors. eta vs tors. theta energy: -5.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -82.139041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.139041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.139041 (E_RNA) where: Base-Base interactions energy: -54.023 where: short stacking energy: -21.922 Base-Backbone interact. energy: -0.015 local terms energy: -28.101198 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -5.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -84.826645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.826645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.826645 (E_RNA) where: Base-Base interactions energy: -60.471 where: short stacking energy: -23.723 Base-Backbone interact. energy: -0.018 local terms energy: -24.337440 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -1.530 tors. eta vs tors. theta energy: -6.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -89.279172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.279172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.279172 (E_RNA) where: Base-Base interactions energy: -67.463 where: short stacking energy: -27.370 Base-Backbone interact. energy: -0.003 local terms energy: -21.813459 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -4.386 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -0.268 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -76.683800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.683800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.683800 (E_RNA) where: Base-Base interactions energy: -54.586 where: short stacking energy: -20.733 Base-Backbone interact. energy: -0.091 local terms energy: -22.007277 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -0.960 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -45.974315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.974315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.974315 (E_RNA) where: Base-Base interactions energy: -19.193 where: short stacking energy: -19.193 Base-Backbone interact. energy: -0.000 local terms energy: -26.781535 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -5.241 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: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -45.890537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.890537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.890537 (E_RNA) where: Base-Base interactions energy: -23.959 where: short stacking energy: -23.820 Base-Backbone interact. energy: 0.279 local terms energy: -22.210525 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -2.550 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -4.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -46.843235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.843235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.843235 (E_RNA) where: Base-Base interactions energy: -19.501 where: short stacking energy: -19.501 Base-Backbone interact. energy: -0.004 local terms energy: -27.338358 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -3.184 tors. eta vs tors. theta energy: -4.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -36.801283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.801283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.801283 (E_RNA) where: Base-Base interactions energy: -21.076 where: short stacking energy: -17.010 Base-Backbone interact. energy: -0.228 local terms energy: -15.497682 where: bonds (distance) C4'-P energy: -2.462 bonds (distance) P-C4' energy: -5.168 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: 2.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -45.259714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.259714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.259714 (E_RNA) where: Base-Base interactions energy: -21.807 where: short stacking energy: -20.791 Base-Backbone interact. energy: -0.000 local terms energy: -23.452652 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -4.514 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -3.381 tors. eta vs tors. theta energy: -5.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -95.850664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.850664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.850664 (E_RNA) where: Base-Base interactions energy: -73.720 where: short stacking energy: -29.790 Base-Backbone interact. energy: -0.002 local terms energy: -22.129460 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: 1.251 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -83.502753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.502753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.502753 (E_RNA) where: Base-Base interactions energy: -59.127 where: short stacking energy: -25.685 Base-Backbone interact. energy: -0.016 local terms energy: -24.359648 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -0.962 tors. eta vs tors. theta energy: -4.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -87.816160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.816160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.816160 (E_RNA) where: Base-Base interactions energy: -64.869 where: short stacking energy: -23.591 Base-Backbone interact. energy: -0.355 local terms energy: -22.592011 where: bonds (distance) C4'-P energy: -5.240 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: 3.265 tors. eta vs tors. theta energy: -7.440 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: 10 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -79.345271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.345271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.345271 (E_RNA) where: Base-Base interactions energy: -52.692 where: short stacking energy: -23.520 Base-Backbone interact. energy: -0.003 local terms energy: -26.650258 where: bonds (distance) C4'-P energy: -5.016 bonds (distance) P-C4' energy: -6.317 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -5.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -78.424864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.424864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.424864 (E_RNA) where: Base-Base interactions energy: -54.081 where: short stacking energy: -25.455 Base-Backbone interact. energy: -0.003 local terms energy: -24.340833 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -2.630 tors. eta vs tors. theta energy: -5.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -51.232176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.232176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.232176 (E_RNA) where: Base-Base interactions energy: -30.960 where: short stacking energy: -15.864 Base-Backbone interact. energy: 0.278 local terms energy: -20.550249 where: bonds (distance) C4'-P energy: -4.179 bonds (distance) P-C4' energy: -3.569 flat angles C4'-P-C4' energy: -2.652 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -6.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -43.445985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.445985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.445985 (E_RNA) where: Base-Base interactions energy: -19.361 where: short stacking energy: -16.806 Base-Backbone interact. energy: -0.113 local terms energy: -23.972098 where: bonds (distance) C4'-P energy: -4.134 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -4.229 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: 8, replica: 4 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -46.406060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.406060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.406060 (E_RNA) where: Base-Base interactions energy: -19.617 where: short stacking energy: -19.617 Base-Backbone interact. energy: -0.000 local terms energy: -26.789342 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -5.414 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -5.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -41.089804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.089804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.089804 (E_RNA) where: Base-Base interactions energy: -19.571 where: short stacking energy: -19.571 Base-Backbone interact. energy: -0.000 local terms energy: -21.518513 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -3.346 tors. eta vs tors. theta energy: -1.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -41.089045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.089045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.089045 (E_RNA) where: Base-Base interactions energy: -18.747 where: short stacking energy: -18.747 Base-Backbone interact. energy: -0.000 local terms energy: -22.341712 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -5.753 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -0.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -89.742840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.742840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.742840 (E_RNA) where: Base-Base interactions energy: -63.852 where: short stacking energy: -24.573 Base-Backbone interact. energy: -0.189 local terms energy: -25.702196 where: bonds (distance) C4'-P energy: -5.849 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -1.507 tors. eta vs tors. theta energy: -5.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -84.102865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.102865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.102865 (E_RNA) where: Base-Base interactions energy: -57.698 where: short stacking energy: -18.324 Base-Backbone interact. energy: 0.155 local terms energy: -26.559489 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -7.760 flat angles P-C4'-P energy: -2.787 tors. eta vs tors. theta energy: -2.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -79.903710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.903710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.903710 (E_RNA) where: Base-Base interactions energy: -50.134 where: short stacking energy: -19.208 Base-Backbone interact. energy: -0.009 local terms energy: -29.760921 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -6.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -75.228533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.228533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.228533 (E_RNA) where: Base-Base interactions energy: -55.242 where: short stacking energy: -23.668 Base-Backbone interact. energy: -0.000 local terms energy: -19.986508 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -4.802 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -0.066 tors. eta vs tors. theta energy: -2.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -69.538107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.538107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.538107 (E_RNA) where: Base-Base interactions energy: -46.467 where: short stacking energy: -20.983 Base-Backbone interact. energy: 1.548 local terms energy: -24.618687 where: bonds (distance) C4'-P energy: -5.765 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -45.829415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.829415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.829415 (E_RNA) where: Base-Base interactions energy: -23.090 where: short stacking energy: -8.038 Base-Backbone interact. energy: -0.076 local terms energy: -22.663531 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: 0.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -53.263203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.263203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.263203 (E_RNA) where: Base-Base interactions energy: -29.927 where: short stacking energy: -20.362 Base-Backbone interact. energy: 0.117 local terms energy: -23.452931 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -4.728 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: -4.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -40.499585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.499585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.499585 (E_RNA) where: Base-Base interactions energy: -19.490 where: short stacking energy: -15.237 Base-Backbone interact. energy: -0.016 local terms energy: -20.993016 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -1.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -37.447681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.447681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.447681 (E_RNA) where: Base-Base interactions energy: -18.790 where: short stacking energy: -18.790 Base-Backbone interact. energy: -0.000 local terms energy: -18.657467 where: bonds (distance) C4'-P energy: -2.593 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -2.620 tors. eta vs tors. theta energy: -1.884 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: 6 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -40.782656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.782656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.782656 (E_RNA) where: Base-Base interactions energy: -15.204 where: short stacking energy: -15.204 Base-Backbone interact. energy: -0.022 local terms energy: -25.555961 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.016 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -3.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -93.924239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.924239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.924239 (E_RNA) where: Base-Base interactions energy: -74.805 where: short stacking energy: -30.341 Base-Backbone interact. energy: -0.038 local terms energy: -19.080891 where: bonds (distance) C4'-P energy: -5.007 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: 2.656 tors. eta vs tors. theta energy: -4.350 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: 319 Temperature: 0.950000 Total energy: -90.700541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.700541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.700541 (E_RNA) where: Base-Base interactions energy: -62.541 where: short stacking energy: -23.992 Base-Backbone interact. energy: -0.012 local terms energy: -28.147848 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -2.107 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: 3, replica: 9 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -91.419766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.419766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.419766 (E_RNA) where: Base-Base interactions energy: -64.294 where: short stacking energy: -23.578 Base-Backbone interact. energy: -0.372 local terms energy: -26.754478 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -0.609 tors. eta vs tors. theta energy: -6.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -74.731933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.731933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.731933 (E_RNA) where: Base-Base interactions energy: -48.182 where: short stacking energy: -21.113 Base-Backbone interact. energy: -0.004 local terms energy: -26.546098 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -4.409 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: 319 Temperature: 1.100000 Total energy: -80.623532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.623532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.623532 (E_RNA) where: Base-Base interactions energy: -53.964 where: short stacking energy: -21.711 Base-Backbone interact. energy: -0.001 local terms energy: -26.658837 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -42.527454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.527454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.527454 (E_RNA) where: Base-Base interactions energy: -20.323 where: short stacking energy: -20.323 Base-Backbone interact. energy: -0.043 local terms energy: -22.161714 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -2.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -40.443418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.443418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.443418 (E_RNA) where: Base-Base interactions energy: -19.407 where: short stacking energy: -14.861 Base-Backbone interact. energy: -0.037 local terms energy: -20.998554 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.325 flat angles P-C4'-P energy: -2.164 tors. eta vs tors. theta energy: -1.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -47.296529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.296529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.296529 (E_RNA) where: Base-Base interactions energy: -22.519 where: short stacking energy: -22.014 Base-Backbone interact. energy: -0.000 local terms energy: -24.777462 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -2.913 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: -7.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -44.189878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.189878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.189878 (E_RNA) where: Base-Base interactions energy: -21.006 where: short stacking energy: -21.006 Base-Backbone interact. energy: -0.000 local terms energy: -23.183506 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: 1.033 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -47.334079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.334079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.334079 (E_RNA) where: Base-Base interactions energy: -20.653 where: short stacking energy: -20.653 Base-Backbone interact. energy: -0.000 local terms energy: -26.680907 where: bonds (distance) C4'-P energy: -6.816 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -4.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -93.010484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.010484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.010484 (E_RNA) where: Base-Base interactions energy: -72.244 where: short stacking energy: -27.285 Base-Backbone interact. energy: -0.127 local terms energy: -20.639100 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: 3.232 tors. eta vs tors. theta energy: -4.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -79.993119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.993119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.993119 (E_RNA) where: Base-Base interactions energy: -53.036 where: short stacking energy: -21.666 Base-Backbone interact. energy: -0.156 local terms energy: -26.801067 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -7.372 flat angles P-C4'-P energy: -2.088 tors. eta vs tors. theta energy: -5.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -76.846757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.846757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.846757 (E_RNA) where: Base-Base interactions energy: -52.659 where: short stacking energy: -21.870 Base-Backbone interact. energy: -0.006 local terms energy: -24.181479 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -3.429 flat angles P-C4'-P energy: -4.855 tors. eta vs tors. theta energy: -4.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -80.073429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.073429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.073429 (E_RNA) where: Base-Base interactions energy: -50.263 where: short stacking energy: -23.452 Base-Backbone interact. energy: -0.004 local terms energy: -29.806933 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -4.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -80.316100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.316100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.316100 (E_RNA) where: Base-Base interactions energy: -55.789 where: short stacking energy: -19.702 Base-Backbone interact. energy: 0.807 local terms energy: -25.334310 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -3.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -40.773447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.773447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.773447 (E_RNA) where: Base-Base interactions energy: -19.875 where: short stacking energy: -17.018 Base-Backbone interact. energy: -0.197 local terms energy: -20.700855 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: 1.555 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -42.966026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.966026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.966026 (E_RNA) where: Base-Base interactions energy: -20.692 where: short stacking energy: -20.692 Base-Backbone interact. energy: -0.082 local terms energy: -22.192039 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -2.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -48.043821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.043821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.043821 (E_RNA) where: Base-Base interactions energy: -26.464 where: short stacking energy: -18.825 Base-Backbone interact. energy: -0.044 local terms energy: -21.535028 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: 0.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -47.306618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.306618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.306618 (E_RNA) where: Base-Base interactions energy: -31.539 where: short stacking energy: -12.919 Base-Backbone interact. energy: -0.008 local terms energy: -15.759547 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -1.782 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: 0.484 tors. eta vs tors. theta energy: -3.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -39.869003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.869003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.869003 (E_RNA) where: Base-Base interactions energy: -19.945 where: short stacking energy: -6.571 Base-Backbone interact. energy: -0.012 local terms energy: -19.911865 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -6.737 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -1.720 tors. eta vs tors. theta energy: -0.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -86.073978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.073978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.073978 (E_RNA) where: Base-Base interactions energy: -65.653 where: short stacking energy: -26.145 Base-Backbone interact. energy: -0.050 local terms energy: -20.371523 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -2.510 flat angles P-C4'-P energy: -0.123 tors. eta vs tors. theta energy: -4.550 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: 321 Temperature: 0.950000 Total energy: -79.185566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.185566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.185566 (E_RNA) where: Base-Base interactions energy: -50.302 where: short stacking energy: -21.627 Base-Backbone interact. energy: -0.004 local terms energy: -28.879824 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -2.368 tors. eta vs tors. theta energy: -6.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -86.272751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.272751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.272751 (E_RNA) where: Base-Base interactions energy: -63.458 where: short stacking energy: -20.464 Base-Backbone interact. energy: -0.103 local terms energy: -22.711606 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -0.423 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: 4, replica: 10 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -78.309081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.309081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.309081 (E_RNA) where: Base-Base interactions energy: -52.632 where: short stacking energy: -26.684 Base-Backbone interact. energy: -0.003 local terms energy: -25.674307 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -2.005 tors. eta vs tors. theta energy: -4.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -82.247561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.247561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.247561 (E_RNA) where: Base-Base interactions energy: -58.732 where: short stacking energy: -21.692 Base-Backbone interact. energy: -0.001 local terms energy: -23.514763 where: bonds (distance) C4'-P energy: -4.113 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: -6.114 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: 3 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -79.044800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.044800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.044800 (E_RNA) where: Base-Base interactions energy: -51.233 where: short stacking energy: -19.472 Base-Backbone interact. energy: -0.008 local terms energy: -27.803698 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.906 flat angles P-C4'-P energy: -2.734 tors. eta vs tors. theta energy: -6.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -46.187756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.187756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.187756 (E_RNA) where: Base-Base interactions energy: -21.164 where: short stacking energy: -21.164 Base-Backbone interact. energy: -0.012 local terms energy: -25.012543 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -1.200 tors. eta vs tors. theta energy: -3.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -48.023935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.023935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.023935 (E_RNA) where: Base-Base interactions energy: -20.525 where: short stacking energy: -20.525 Base-Backbone interact. energy: -0.101 local terms energy: -27.398280 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -5.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -42.863483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.863483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.863483 (E_RNA) where: Base-Base interactions energy: -16.051 where: short stacking energy: -16.051 Base-Backbone interact. energy: -0.039 local terms energy: -26.773570 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.191 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: -3.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -69.083708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.083708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.083708 (E_RNA) where: Base-Base interactions energy: -45.635 where: short stacking energy: -19.506 Base-Backbone interact. energy: -0.104 local terms energy: -23.344376 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -2.709 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -85.610010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.610010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.610010 (E_RNA) where: Base-Base interactions energy: -60.138 where: short stacking energy: -24.178 Base-Backbone interact. energy: -0.271 local terms energy: -25.201079 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -4.014 flat angles P-C4'-P energy: -2.841 tors. eta vs tors. theta energy: -6.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -78.959799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.959799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.959799 (E_RNA) where: Base-Base interactions energy: -51.637 where: short stacking energy: -21.942 Base-Backbone interact. energy: -0.066 local terms energy: -27.256749 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -2.195 tors. eta vs tors. theta energy: -5.067 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: 3, replica: 10 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -84.172368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.172368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.172368 (E_RNA) where: Base-Base interactions energy: -62.706 where: short stacking energy: -21.702 Base-Backbone interact. energy: -0.037 local terms energy: -21.429054 where: bonds (distance) C4'-P energy: -5.057 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -1.950 tors. eta vs tors. theta energy: -2.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -90.874273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.874273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.874273 (E_RNA) where: Base-Base interactions energy: -68.887 where: short stacking energy: -27.506 Base-Backbone interact. energy: -0.006 local terms energy: -21.982011 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: 1.105 tors. eta vs tors. theta energy: -4.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -75.182351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.182351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.182351 (E_RNA) where: Base-Base interactions energy: -48.629 where: short stacking energy: -19.186 Base-Backbone interact. energy: -0.001 local terms energy: -26.552335 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -77.585105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.585105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.585105 (E_RNA) where: Base-Base interactions energy: -55.153 where: short stacking energy: -20.821 Base-Backbone interact. energy: -0.001 local terms energy: -22.430351 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -2.818 tors. eta vs tors. theta energy: -1.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -42.829016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.829016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.829016 (E_RNA) where: Base-Base interactions energy: -15.221 where: short stacking energy: -15.221 Base-Backbone interact. energy: -0.042 local terms energy: -27.566456 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -4.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -48.061945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.061945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.061945 (E_RNA) where: Base-Base interactions energy: -23.227 where: short stacking energy: -23.227 Base-Backbone interact. energy: -0.000 local terms energy: -24.835017 where: bonds (distance) C4'-P energy: -3.819 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -2.281 tors. eta vs tors. theta energy: -5.863 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: 322 Temperature: 1.300000 Total energy: -35.424626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.424626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.424626 (E_RNA) where: Base-Base interactions energy: -14.695 where: short stacking energy: -14.695 Base-Backbone interact. energy: -0.010 local terms energy: -20.719024 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -1.931 flat angles P-C4'-P energy: -5.078 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: 10, replica: 8 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -37.724778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.724778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.724778 (E_RNA) where: Base-Base interactions energy: -17.694 where: short stacking energy: -11.961 Base-Backbone interact. energy: -0.072 local terms energy: -19.957949 where: bonds (distance) C4'-P energy: -5.218 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -1.857 tors. eta vs tors. theta energy: -0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -90.078314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.078314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.078314 (E_RNA) where: Base-Base interactions energy: -62.595 where: short stacking energy: -19.536 Base-Backbone interact. energy: -0.009 local terms energy: -27.474789 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -3.590 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -5.934 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: 10 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -82.716086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.716086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.716086 (E_RNA) where: Base-Base interactions energy: -60.005 where: short stacking energy: -22.189 Base-Backbone interact. energy: -0.060 local terms energy: -22.651626 where: bonds (distance) C4'-P energy: -3.927 bonds (distance) P-C4' energy: -6.332 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -1.037 tors. eta vs tors. theta energy: -5.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -82.323794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.323794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.323794 (E_RNA) where: Base-Base interactions energy: -58.560 where: short stacking energy: -22.901 Base-Backbone interact. energy: -0.000 local terms energy: -23.764056 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -82.761405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.761405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.761405 (E_RNA) where: Base-Base interactions energy: -55.575 where: short stacking energy: -20.014 Base-Backbone interact. energy: -0.001 local terms energy: -27.185081 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -3.428 tors. eta vs tors. theta energy: -2.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -76.209936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.209936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.209936 (E_RNA) where: Base-Base interactions energy: -47.888 where: short stacking energy: -21.427 Base-Backbone interact. energy: -0.327 local terms energy: -27.995326 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.738 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -3.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -79.838679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.838679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.838679 (E_RNA) where: Base-Base interactions energy: -57.928 where: short stacking energy: -22.567 Base-Backbone interact. energy: -0.001 local terms energy: -21.909672 where: bonds (distance) C4'-P energy: -2.723 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: 0.100 tors. eta vs tors. theta energy: -5.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -45.895772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.895772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.895772 (E_RNA) where: Base-Base interactions energy: -20.554 where: short stacking energy: -20.554 Base-Backbone interact. energy: -0.000 local terms energy: -25.341916 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -4.596 flat angles C4'-P-C4' energy: -1.960 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -7.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -44.143205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.143205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.143205 (E_RNA) where: Base-Base interactions energy: -22.857 where: short stacking energy: -22.857 Base-Backbone interact. energy: -0.000 local terms energy: -21.286418 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -3.535 flat angles P-C4'-P energy: -2.216 tors. eta vs tors. theta energy: -4.162 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: 9, replica: 6 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -41.002637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.002637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.002637 (E_RNA) where: Base-Base interactions energy: -18.551 where: short stacking energy: -18.551 Base-Backbone interact. energy: -0.005 local terms energy: -22.447388 where: bonds (distance) C4'-P energy: -4.282 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -2.928 tors. eta vs tors. theta energy: -2.394 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: 8 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -38.357052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.357052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.357052 (E_RNA) where: Base-Base interactions energy: -17.231 where: short stacking energy: -15.382 Base-Backbone interact. energy: -1.151 local terms energy: -19.975044 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -4.376 flat angles C4'-P-C4' energy: -4.790 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -0.349 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: 10 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -84.777570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.777570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.777570 (E_RNA) where: Base-Base interactions energy: -55.137 where: short stacking energy: -21.800 Base-Backbone interact. energy: -0.324 local terms energy: -29.316158 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -6.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -85.830798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.830798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.830798 (E_RNA) where: Base-Base interactions energy: -59.856 where: short stacking energy: -19.419 Base-Backbone interact. energy: -0.061 local terms energy: -25.914141 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -1.178 tors. eta vs tors. theta energy: -6.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -80.950287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.950287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.950287 (E_RNA) where: Base-Base interactions energy: -53.083 where: short stacking energy: -22.330 Base-Backbone interact. energy: -0.000 local terms energy: -27.866678 where: bonds (distance) C4'-P energy: -4.494 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.809 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: -3.849 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: 4, replica: 3 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -81.435670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.435670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.435670 (E_RNA) where: Base-Base interactions energy: -57.312 where: short stacking energy: -21.009 Base-Backbone interact. energy: -0.000 local terms energy: -24.123071 where: bonds (distance) C4'-P energy: -4.668 bonds (distance) P-C4' energy: -6.783 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -2.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -77.483807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.483807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.483807 (E_RNA) where: Base-Base interactions energy: -54.099 where: short stacking energy: -20.923 Base-Backbone interact. energy: -0.010 local terms energy: -23.374001 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -2.517 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -83.019366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.019366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.019366 (E_RNA) where: Base-Base interactions energy: -62.536 where: short stacking energy: -23.159 Base-Backbone interact. energy: -0.002 local terms energy: -20.481183 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.421 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: 0.223 tors. eta vs tors. theta energy: -4.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -47.907015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.907015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.907015 (E_RNA) where: Base-Base interactions energy: -20.436 where: short stacking energy: -20.436 Base-Backbone interact. energy: -0.000 local terms energy: -27.471349 where: bonds (distance) C4'-P energy: -4.714 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -1.875 tors. eta vs tors. theta energy: -7.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -40.567471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.567471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.567471 (E_RNA) where: Base-Base interactions energy: -15.991 where: short stacking energy: -12.547 Base-Backbone interact. energy: -0.000 local terms energy: -24.576076 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -4.895 tors. eta vs tors. theta energy: -0.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -47.362711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.362711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.362711 (E_RNA) where: Base-Base interactions energy: -21.208 where: short stacking energy: -19.855 Base-Backbone interact. energy: -0.664 local terms energy: -25.490920 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -1.620 tors. eta vs tors. theta energy: -6.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -38.528330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.528330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.528330 (E_RNA) where: Base-Base interactions energy: -18.596 where: short stacking energy: -18.596 Base-Backbone interact. energy: -0.000 local terms energy: -19.932787 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -4.204 flat angles C4'-P-C4' energy: -3.983 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -2.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -83.190084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.190084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.190084 (E_RNA) where: Base-Base interactions energy: -59.519 where: short stacking energy: -21.869 Base-Backbone interact. energy: -0.000 local terms energy: -23.670852 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.636 flat angles P-C4'-P energy: -1.394 tors. eta vs tors. theta energy: -3.558 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: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -79.969358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.969358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.969358 (E_RNA) where: Base-Base interactions energy: -52.778 where: short stacking energy: -23.612 Base-Backbone interact. energy: -0.001 local terms energy: -27.189983 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.508 flat angles C4'-P-C4' energy: -4.507 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -6.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -81.646376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.646376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.646376 (E_RNA) where: Base-Base interactions energy: -62.147 where: short stacking energy: -24.160 Base-Backbone interact. energy: -0.002 local terms energy: -19.497358 where: bonds (distance) C4'-P energy: -2.603 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: 1.885 tors. eta vs tors. theta energy: -5.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -81.564510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.564510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.564510 (E_RNA) where: Base-Base interactions energy: -49.830 where: short stacking energy: -20.838 Base-Backbone interact. energy: -0.040 local terms energy: -31.694895 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -7.415 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: 3 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -79.873582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.873582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.873582 (E_RNA) where: Base-Base interactions energy: -55.449 where: short stacking energy: -19.092 Base-Backbone interact. energy: -0.008 local terms energy: -24.415880 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -2.068 tors. eta vs tors. theta energy: -4.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -47.291954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.291954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.291954 (E_RNA) where: Base-Base interactions energy: -23.127 where: short stacking energy: -23.127 Base-Backbone interact. energy: -0.012 local terms energy: -24.153548 where: bonds (distance) C4'-P energy: -4.092 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -3.065 tors. eta vs tors. theta energy: -4.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -79.643534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.643534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.643534 (E_RNA) where: Base-Base interactions energy: -52.587 where: short stacking energy: -21.990 Base-Backbone interact. energy: -0.044 local terms energy: -27.012774 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -0.723 tors. eta vs tors. theta energy: -6.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -40.842517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.842517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.842517 (E_RNA) where: Base-Base interactions energy: -15.922 where: short stacking energy: -15.922 Base-Backbone interact. energy: -0.014 local terms energy: -24.906676 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: -2.871 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: 4 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -40.004030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.004030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.004030 (E_RNA) where: Base-Base interactions energy: -17.471 where: short stacking energy: -14.585 Base-Backbone interact. energy: -0.025 local terms energy: -22.507244 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -4.705 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -2.259 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: 10, replica: 6 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -40.732693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.732693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.732693 (E_RNA) where: Base-Base interactions energy: -18.328 where: short stacking energy: -17.885 Base-Backbone interact. energy: -0.000 local terms energy: -22.404505 where: bonds (distance) C4'-P energy: -2.929 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -2.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -83.180111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.180111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.180111 (E_RNA) where: Base-Base interactions energy: -53.383 where: short stacking energy: -21.433 Base-Backbone interact. energy: -0.380 local terms energy: -29.417162 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -4.934 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: 2, replica: 5 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -81.896806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.896806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.896806 (E_RNA) where: Base-Base interactions energy: -61.332 where: short stacking energy: -23.416 Base-Backbone interact. energy: -0.128 local terms energy: -20.435900 where: bonds (distance) C4'-P energy: -3.956 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -1.525 tors. eta vs tors. theta energy: -1.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -80.649780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.649780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.649780 (E_RNA) where: Base-Base interactions energy: -54.558 where: short stacking energy: -22.719 Base-Backbone interact. energy: -0.000 local terms energy: -26.092023 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -1.996 tors. eta vs tors. theta energy: -6.355 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: 326 Temperature: 1.050000 Total energy: -86.262683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.262683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.262683 (E_RNA) where: Base-Base interactions energy: -68.028 where: short stacking energy: -25.753 Base-Backbone interact. energy: -0.214 local terms energy: -18.020888 where: bonds (distance) C4'-P energy: -4.730 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: 0.881 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -76.148394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.148394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.148394 (E_RNA) where: Base-Base interactions energy: -45.466 where: short stacking energy: -17.144 Base-Backbone interact. energy: 0.380 local terms energy: -31.062002 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -4.340 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: 7 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -47.262448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.262448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.262448 (E_RNA) where: Base-Base interactions energy: -20.449 where: short stacking energy: -20.449 Base-Backbone interact. energy: -0.001 local terms energy: -26.812104 where: bonds (distance) C4'-P energy: -4.963 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -4.770 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: 9 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -71.058189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.058189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.058189 (E_RNA) where: Base-Base interactions energy: -50.360 where: short stacking energy: -22.346 Base-Backbone interact. energy: -0.103 local terms energy: -20.595093 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: 0.842 tors. eta vs tors. theta energy: -3.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -43.998035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.998035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.998035 (E_RNA) where: Base-Base interactions energy: -19.113 where: short stacking energy: -15.341 Base-Backbone interact. energy: -0.008 local terms energy: -24.876700 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -2.057 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: 6 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -39.649674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.649674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.649674 (E_RNA) where: Base-Base interactions energy: -17.391 where: short stacking energy: -17.391 Base-Backbone interact. energy: -0.018 local terms energy: -22.241047 where: bonds (distance) C4'-P energy: -1.360 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -40.598982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.598982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.598982 (E_RNA) where: Base-Base interactions energy: -18.320 where: short stacking energy: -14.786 Base-Backbone interact. energy: -0.031 local terms energy: -22.248780 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -0.506 tors. eta vs tors. theta energy: -2.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -89.909554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.909554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.909554 (E_RNA) where: Base-Base interactions energy: -64.483 where: short stacking energy: -24.830 Base-Backbone interact. energy: -0.005 local terms energy: -25.421395 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -3.678 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -3.123 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: 2, replica: 1 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -80.358100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.358100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.358100 (E_RNA) where: Base-Base interactions energy: -52.073 where: short stacking energy: -22.089 Base-Backbone interact. energy: -0.001 local terms energy: -28.283715 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -5.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -83.072042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.072042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.072042 (E_RNA) where: Base-Base interactions energy: -54.993 where: short stacking energy: -23.657 Base-Backbone interact. energy: -0.006 local terms energy: -28.073447 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -6.336 tors. eta vs tors. theta energy: -5.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -82.846338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.846338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.846338 (E_RNA) where: Base-Base interactions energy: -55.343 where: short stacking energy: -19.687 Base-Backbone interact. energy: -0.006 local terms energy: -27.497523 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -2.612 tors. eta vs tors. theta energy: -6.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -79.408911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.408911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.408911 (E_RNA) where: Base-Base interactions energy: -56.528 where: short stacking energy: -19.804 Base-Backbone interact. energy: -0.164 local terms energy: -22.717358 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -1.808 tors. eta vs tors. theta energy: -1.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -48.782783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.782783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.782783 (E_RNA) where: Base-Base interactions energy: -22.490 where: short stacking energy: -22.490 Base-Backbone interact. energy: -0.000 local terms energy: -26.292770 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -4.321 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -6.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -46.424875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.424875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.424875 (E_RNA) where: Base-Base interactions energy: -21.994 where: short stacking energy: -21.994 Base-Backbone interact. energy: -0.000 local terms energy: -24.431171 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -1.278 flat angles P-C4'-P energy: -4.392 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: 8, replica: 6 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -42.664734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.664734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.664734 (E_RNA) where: Base-Base interactions energy: -19.608 where: short stacking energy: -19.608 Base-Backbone interact. energy: -0.009 local terms energy: -23.047947 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -3.982 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: -4.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -43.914887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.914887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.914887 (E_RNA) where: Base-Base interactions energy: -20.127 where: short stacking energy: -20.127 Base-Backbone interact. energy: -0.001 local terms energy: -23.786206 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -1.706 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: 10, replica: 4 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -41.892745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.892745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.892745 (E_RNA) where: Base-Base interactions energy: -20.522 where: short stacking energy: -5.019 Base-Backbone interact. energy: -0.038 local terms energy: -21.332656 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -3.330 tors. eta vs tors. theta energy: 0.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -82.083352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.083352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.083352 (E_RNA) where: Base-Base interactions energy: -55.897 where: short stacking energy: -24.433 Base-Backbone interact. energy: -0.076 local terms energy: -26.110749 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -0.709 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: 2, replica: 10 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -87.687951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.687951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.687951 (E_RNA) where: Base-Base interactions energy: -55.718 where: short stacking energy: -22.538 Base-Backbone interact. energy: -0.000 local terms energy: -31.969664 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -5.370 tors. eta vs tors. theta energy: -5.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -88.178060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.178060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.178060 (E_RNA) where: Base-Base interactions energy: -64.999 where: short stacking energy: -24.982 Base-Backbone interact. energy: -0.000 local terms energy: -23.178618 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -4.219 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -0.908 tors. eta vs tors. theta energy: -4.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -80.787607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.787607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.787607 (E_RNA) where: Base-Base interactions energy: -53.571 where: short stacking energy: -25.353 Base-Backbone interact. energy: -0.311 local terms energy: -26.905400 where: bonds (distance) C4'-P energy: -5.095 bonds (distance) P-C4' energy: -5.706 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -6.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -46.128874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.128874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.128874 (E_RNA) where: Base-Base interactions energy: -23.885 where: short stacking energy: -16.944 Base-Backbone interact. energy: -0.083 local terms energy: -22.160413 where: bonds (distance) C4'-P energy: -4.374 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -86.077481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.077481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.077481 (E_RNA) where: Base-Base interactions energy: -63.929 where: short stacking energy: -25.495 Base-Backbone interact. energy: -0.002 local terms energy: -22.147236 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -3.086 flat angles P-C4'-P energy: -1.926 tors. eta vs tors. theta energy: -3.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -42.283605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.283605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.283605 (E_RNA) where: Base-Base interactions energy: -19.958 where: short stacking energy: -6.313 Base-Backbone interact. energy: -0.182 local terms energy: -22.143383 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: 1.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -43.979570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.979570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.979570 (E_RNA) where: Base-Base interactions energy: -16.384 where: short stacking energy: -16.384 Base-Backbone interact. energy: -0.052 local terms energy: -27.543753 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -1.697 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: 328 Temperature: 1.300000 Total energy: -43.098960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.098960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.098960 (E_RNA) where: Base-Base interactions energy: -18.078 where: short stacking energy: -18.078 Base-Backbone interact. energy: -0.010 local terms energy: -25.011550 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -2.963 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: 8 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -40.052973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.052973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.052973 (E_RNA) where: Base-Base interactions energy: -17.816 where: short stacking energy: -12.579 Base-Backbone interact. energy: -0.043 local terms energy: -22.194014 where: bonds (distance) C4'-P energy: -2.404 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -82.303951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.303951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.303951 (E_RNA) where: Base-Base interactions energy: -56.602 where: short stacking energy: -23.791 Base-Backbone interact. energy: -0.101 local terms energy: -25.599998 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -4.904 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -0.747 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: 2, replica: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -79.520712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.520712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.520712 (E_RNA) where: Base-Base interactions energy: -52.202 where: short stacking energy: -22.764 Base-Backbone interact. energy: -0.009 local terms energy: -27.309414 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -2.800 tors. eta vs tors. theta energy: -5.156 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: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -88.716908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.716908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.716908 (E_RNA) where: Base-Base interactions energy: -65.398 where: short stacking energy: -24.884 Base-Backbone interact. energy: -0.001 local terms energy: -23.317830 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -7.234 flat angles P-C4'-P energy: 2.394 tors. eta vs tors. theta energy: -5.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -79.304523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.304523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.304523 (E_RNA) where: Base-Base interactions energy: -58.328 where: short stacking energy: -23.605 Base-Backbone interact. energy: -0.000 local terms energy: -20.976261 where: bonds (distance) C4'-P energy: -2.788 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: 0.784 tors. eta vs tors. theta energy: -5.309 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: 9 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -82.519291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.519291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.519291 (E_RNA) where: Base-Base interactions energy: -53.299 where: short stacking energy: -22.339 Base-Backbone interact. energy: -0.000 local terms energy: -29.220167 where: bonds (distance) C4'-P energy: -5.773 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.924 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -2.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -77.498619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.498619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.498619 (E_RNA) where: Base-Base interactions energy: -49.124 where: short stacking energy: -22.922 Base-Backbone interact. energy: -0.001 local terms energy: -28.373710 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -3.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -46.751338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.751338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.751338 (E_RNA) where: Base-Base interactions energy: -20.291 where: short stacking energy: -20.291 Base-Backbone interact. energy: -0.091 local terms energy: -26.368552 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -3.103 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -6.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -43.299500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.299500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.299500 (E_RNA) where: Base-Base interactions energy: -20.225 where: short stacking energy: -20.225 Base-Backbone interact. energy: -0.051 local terms energy: -23.023409 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -2.038 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: 9, replica: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -42.114296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.114296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.114296 (E_RNA) where: Base-Base interactions energy: -15.383 where: short stacking energy: -15.383 Base-Backbone interact. energy: -0.009 local terms energy: -26.723197 where: bonds (distance) C4'-P energy: -5.103 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -5.889 tors. eta vs tors. theta energy: -2.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -33.346114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.346114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.346114 (E_RNA) where: Base-Base interactions energy: -15.308 where: short stacking energy: -6.292 Base-Backbone interact. energy: -0.008 local terms energy: -18.029833 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -2.382 tors. eta vs tors. theta energy: -1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -89.729867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.729867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.729867 (E_RNA) where: Base-Base interactions energy: -65.443 where: short stacking energy: -27.443 Base-Backbone interact. energy: -0.031 local terms energy: -24.255624 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: 0.160 tors. eta vs tors. theta energy: -5.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -84.782792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.782792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.782792 (E_RNA) where: Base-Base interactions energy: -62.792 where: short stacking energy: -23.510 Base-Backbone interact. energy: -0.107 local terms energy: -21.883343 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.377 tors. eta vs tors. theta energy: -4.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -85.259712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.259712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.259712 (E_RNA) where: Base-Base interactions energy: -60.870 where: short stacking energy: -22.450 Base-Backbone interact. energy: -0.019 local terms energy: -24.371294 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -1.858 tors. eta vs tors. theta energy: -4.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -79.964840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.964840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.964840 (E_RNA) where: Base-Base interactions energy: -58.233 where: short stacking energy: -18.502 Base-Backbone interact. energy: -1.920 local terms energy: -19.811571 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -3.407 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -1.388 tors. eta vs tors. theta energy: -4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -78.880404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.880404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.880404 (E_RNA) where: Base-Base interactions energy: -54.745 where: short stacking energy: -21.702 Base-Backbone interact. energy: -0.272 local terms energy: -23.863580 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: 0.218 tors. eta vs tors. theta energy: -4.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -78.585262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.585262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.585262 (E_RNA) where: Base-Base interactions energy: -50.653 where: short stacking energy: -22.844 Base-Backbone interact. energy: -0.001 local terms energy: -27.931527 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -3.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -44.044705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.044705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.044705 (E_RNA) where: Base-Base interactions energy: -18.029 where: short stacking energy: -17.853 Base-Backbone interact. energy: -0.017 local terms energy: -25.998894 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -2.673 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -46.495256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.495256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.495256 (E_RNA) where: Base-Base interactions energy: -24.751 where: short stacking energy: -11.712 Base-Backbone interact. energy: -0.035 local terms energy: -21.709170 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -48.791003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.791003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.791003 (E_RNA) where: Base-Base interactions energy: -24.821 where: short stacking energy: -24.821 Base-Backbone interact. energy: -0.000 local terms energy: -23.969744 where: bonds (distance) C4'-P energy: -2.380 bonds (distance) P-C4' energy: -4.787 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -6.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -40.617499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.617499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.617499 (E_RNA) where: Base-Base interactions energy: -18.316 where: short stacking energy: -18.316 Base-Backbone interact. energy: -0.003 local terms energy: -22.298318 where: bonds (distance) C4'-P energy: -2.495 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -3.015 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: 331 Temperature: 0.900000 Total energy: -90.563256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.563256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.563256 (E_RNA) where: Base-Base interactions energy: -63.038 where: short stacking energy: -21.298 Base-Backbone interact. energy: -0.010 local terms energy: -27.514629 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -1.657 tors. eta vs tors. theta energy: -5.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -87.388062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.388062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.388062 (E_RNA) where: Base-Base interactions energy: -62.605 where: short stacking energy: -23.315 Base-Backbone interact. energy: -0.003 local terms energy: -24.779475 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -2.099 tors. eta vs tors. theta energy: -6.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -87.192447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.192447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.192447 (E_RNA) where: Base-Base interactions energy: -66.317 where: short stacking energy: -22.862 Base-Backbone interact. energy: -0.000 local terms energy: -20.875603 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: 0.166 tors. eta vs tors. theta energy: -2.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -86.243545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.243545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.243545 (E_RNA) where: Base-Base interactions energy: -59.269 where: short stacking energy: -24.612 Base-Backbone interact. energy: -0.001 local terms energy: -26.974136 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -2.529 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: 331 Temperature: 1.100000 Total energy: -77.838649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.838649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.838649 (E_RNA) where: Base-Base interactions energy: -52.005 where: short stacking energy: -22.962 Base-Backbone interact. energy: -0.001 local terms energy: -25.833258 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -4.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -49.769684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.769684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.769684 (E_RNA) where: Base-Base interactions energy: -22.474 where: short stacking energy: -14.644 Base-Backbone interact. energy: -0.000 local terms energy: -27.295037 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -76.834524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.834524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.834524 (E_RNA) where: Base-Base interactions energy: -56.694 where: short stacking energy: -18.053 Base-Backbone interact. energy: -0.070 local terms energy: -20.070326 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -0.351 tors. eta vs tors. theta energy: -3.110 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: 8 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -52.557768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.557768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.557768 (E_RNA) where: Base-Base interactions energy: -21.405 where: short stacking energy: -21.405 Base-Backbone interact. energy: -0.000 local terms energy: -31.153109 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -3.782 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: 9, replica: 6 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -38.771123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.771123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.771123 (E_RNA) where: Base-Base interactions energy: -18.580 where: short stacking energy: -18.880 Base-Backbone interact. energy: -0.011 local terms energy: -20.180373 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -2.145 tors. eta vs tors. theta energy: -0.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -37.727247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.727247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.727247 (E_RNA) where: Base-Base interactions energy: -15.713 where: short stacking energy: -15.713 Base-Backbone interact. energy: -0.023 local terms energy: -21.991213 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.185 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -1.203 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: 1, replica: 5 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -88.855095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.855095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.855095 (E_RNA) where: Base-Base interactions energy: -62.496 where: short stacking energy: -23.192 Base-Backbone interact. energy: -0.001 local terms energy: -26.357944 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -6.890 flat angles P-C4'-P energy: -1.019 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: 2, replica: 1 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -89.970523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.970523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.970523 (E_RNA) where: Base-Base interactions energy: -69.873 where: short stacking energy: -27.010 Base-Backbone interact. energy: -0.041 local terms energy: -20.057007 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -1.994 flat angles P-C4'-P energy: 0.411 tors. eta vs tors. theta energy: -5.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -83.535394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.535394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.535394 (E_RNA) where: Base-Base interactions energy: -54.263 where: short stacking energy: -24.808 Base-Backbone interact. energy: -0.000 local terms energy: -29.272246 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -3.326 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -7.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -78.963390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.963390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.963390 (E_RNA) where: Base-Base interactions energy: -55.903 where: short stacking energy: -23.471 Base-Backbone interact. energy: -0.010 local terms energy: -23.050186 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -6.204 flat angles C4'-P-C4' energy: -3.535 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: -3.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -89.661167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.661167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.661167 (E_RNA) where: Base-Base interactions energy: -70.432 where: short stacking energy: -28.986 Base-Backbone interact. energy: -0.012 local terms energy: -19.217125 where: bonds (distance) C4'-P energy: -2.933 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -0.852 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -78.738423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.738423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.738423 (E_RNA) where: Base-Base interactions energy: -49.996 where: short stacking energy: -22.284 Base-Backbone interact. energy: -0.000 local terms energy: -28.742555 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -1.303 tors. eta vs tors. theta energy: -5.854 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: 7, replica: 8 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -52.158913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.158913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.158913 (E_RNA) where: Base-Base interactions energy: -24.999 where: short stacking energy: -24.999 Base-Backbone interact. energy: -0.001 local terms energy: -27.159221 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -5.001 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -7.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -42.943811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.943811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.943811 (E_RNA) where: Base-Base interactions energy: -17.564 where: short stacking energy: -17.564 Base-Backbone interact. energy: 0.568 local terms energy: -25.947291 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.015 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -2.568 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: 6 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -65.749544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.749544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.749544 (E_RNA) where: Base-Base interactions energy: -42.643 where: short stacking energy: -18.720 Base-Backbone interact. energy: -0.000 local terms energy: -23.106770 where: bonds (distance) C4'-P energy: -4.635 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -3.573 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -2.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -42.087694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.087694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.087694 (E_RNA) where: Base-Base interactions energy: -16.924 where: short stacking energy: -16.924 Base-Backbone interact. energy: -0.002 local terms energy: -25.161930 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.474 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -3.990 tors. eta vs tors. theta energy: -2.628 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: 5 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -82.802502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.802502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.802502 (E_RNA) where: Base-Base interactions energy: -55.330 where: short stacking energy: -22.822 Base-Backbone interact. energy: -0.001 local terms energy: -27.470981 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: -3.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -94.919512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.919512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.919512 (E_RNA) where: Base-Base interactions energy: -69.714 where: short stacking energy: -26.374 Base-Backbone interact. energy: -0.033 local terms energy: -25.172391 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -1.141 tors. eta vs tors. theta energy: -5.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -90.802344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.802344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.802344 (E_RNA) where: Base-Base interactions energy: -68.784 where: short stacking energy: -27.546 Base-Backbone interact. energy: -0.009 local terms energy: -22.009653 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: 3.723 tors. eta vs tors. theta energy: -6.472 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: 3 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -92.159886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.159886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.159886 (E_RNA) where: Base-Base interactions energy: -71.023 where: short stacking energy: -28.195 Base-Backbone interact. energy: -0.173 local terms energy: -20.963087 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: 1.440 tors. eta vs tors. theta energy: -4.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -82.832869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.832869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.832869 (E_RNA) where: Base-Base interactions energy: -60.525 where: short stacking energy: -23.257 Base-Backbone interact. energy: 1.521 local terms energy: -23.829294 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -2.056 tors. eta vs tors. theta energy: -4.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -52.459610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.459610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.459610 (E_RNA) where: Base-Base interactions energy: -27.298 where: short stacking energy: -16.874 Base-Backbone interact. energy: -0.028 local terms energy: -25.133639 where: bonds (distance) C4'-P energy: -6.482 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -1.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -74.101765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.101765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.101765 (E_RNA) where: Base-Base interactions energy: -47.589 where: short stacking energy: -12.949 Base-Backbone interact. energy: -0.213 local terms energy: -26.300073 where: bonds (distance) C4'-P energy: -5.302 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -73.754009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.754009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.754009 (E_RNA) where: Base-Base interactions energy: -47.852 where: short stacking energy: -23.028 Base-Backbone interact. energy: -0.001 local terms energy: -25.900817 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.139 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -1.220 tors. eta vs tors. theta energy: -6.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -41.560066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.560066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.560066 (E_RNA) where: Base-Base interactions energy: -24.331 where: short stacking energy: -12.805 Base-Backbone interact. energy: -0.199 local terms energy: -17.029928 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -1.912 flat angles P-C4'-P energy: -3.000 tors. eta vs tors. theta energy: 1.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -38.541243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.541243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.541243 (E_RNA) where: Base-Base interactions energy: -13.288 where: short stacking energy: -13.288 Base-Backbone interact. energy: -0.000 local terms energy: -25.253076 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -3.628 flat angles P-C4'-P energy: -2.067 tors. eta vs tors. theta energy: -5.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -83.700252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.700252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.700252 (E_RNA) where: Base-Base interactions energy: -63.510 where: short stacking energy: -23.555 Base-Backbone interact. energy: -0.001 local terms energy: -20.189250 where: bonds (distance) C4'-P energy: -5.471 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -0.449 tors. eta vs tors. theta energy: -2.808 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: 2, replica: 5 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -83.639300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.639300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.639300 (E_RNA) where: Base-Base interactions energy: -59.318 where: short stacking energy: -23.973 Base-Backbone interact. energy: -0.532 local terms energy: -23.789355 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -2.215 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -90.925105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.925105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.925105 (E_RNA) where: Base-Base interactions energy: -67.674 where: short stacking energy: -25.595 Base-Backbone interact. energy: -0.204 local terms energy: -23.047751 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -5.771 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -0.424 tors. eta vs tors. theta energy: -5.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -81.529664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.529664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.529664 (E_RNA) where: Base-Base interactions energy: -50.953 where: short stacking energy: -22.215 Base-Backbone interact. energy: -0.000 local terms energy: -30.575997 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -5.960 tors. eta vs tors. theta energy: -4.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -78.252274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.252274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.252274 (E_RNA) where: Base-Base interactions energy: -51.328 where: short stacking energy: -23.837 Base-Backbone interact. energy: -0.000 local terms energy: -26.923539 where: bonds (distance) C4'-P energy: -4.129 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -4.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -50.223958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.223958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.223958 (E_RNA) where: Base-Base interactions energy: -22.887 where: short stacking energy: -22.887 Base-Backbone interact. energy: -0.059 local terms energy: -27.278839 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -4.940 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: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -77.805503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.805503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.805503 (E_RNA) where: Base-Base interactions energy: -52.146 where: short stacking energy: -23.706 Base-Backbone interact. energy: -0.002 local terms energy: -25.657482 where: bonds (distance) C4'-P energy: -3.542 bonds (distance) P-C4' energy: -6.216 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -4.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -43.070166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.070166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.070166 (E_RNA) where: Base-Base interactions energy: -18.588 where: short stacking energy: -18.588 Base-Backbone interact. energy: -0.003 local terms energy: -24.478961 where: bonds (distance) C4'-P energy: -4.367 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -49.477338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.477338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.477338 (E_RNA) where: Base-Base interactions energy: -26.555 where: short stacking energy: -11.351 Base-Backbone interact. energy: -0.003 local terms energy: -22.918549 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -3.715 flat angles P-C4'-P energy: -3.866 tors. eta vs tors. theta energy: -1.452 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: 7 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -67.282011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.282011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.282011 (E_RNA) where: Base-Base interactions energy: -46.124 where: short stacking energy: -17.630 Base-Backbone interact. energy: -0.029 local terms energy: -21.128929 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -1.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -83.197654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.197654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.197654 (E_RNA) where: Base-Base interactions energy: -53.761 where: short stacking energy: -23.737 Base-Backbone interact. energy: -0.019 local terms energy: -29.417142 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -3.274 tors. eta vs tors. theta energy: -6.180 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: 2, replica: 3 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -92.922623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.922623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.922623 (E_RNA) where: Base-Base interactions energy: -72.701 where: short stacking energy: -29.239 Base-Backbone interact. energy: -0.024 local terms energy: -20.198229 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: 1.502 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -82.409232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.409232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.409232 (E_RNA) where: Base-Base interactions energy: -57.882 where: short stacking energy: -21.804 Base-Backbone interact. energy: 0.832 local terms energy: -25.359406 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -2.916 tors. eta vs tors. theta energy: -2.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -77.571739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.571739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.571739 (E_RNA) where: Base-Base interactions energy: -50.228 where: short stacking energy: -18.138 Base-Backbone interact. energy: 0.504 local terms energy: -27.848567 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: -4.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -77.048018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.048018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.048018 (E_RNA) where: Base-Base interactions energy: -51.350 where: short stacking energy: -25.018 Base-Backbone interact. energy: -0.001 local terms energy: -25.697917 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -6.328 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: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -89.083933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.083933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.083933 (E_RNA) where: Base-Base interactions energy: -67.250 where: short stacking energy: -21.407 Base-Backbone interact. energy: -0.069 local terms energy: -21.764614 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: 1.943 tors. eta vs tors. theta energy: -5.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -44.222281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.222281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.222281 (E_RNA) where: Base-Base interactions energy: -19.741 where: short stacking energy: -19.741 Base-Backbone interact. energy: -0.027 local terms energy: -24.454246 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -3.761 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -4.999 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: 9 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -41.731018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.731018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.731018 (E_RNA) where: Base-Base interactions energy: -20.839 where: short stacking energy: -20.839 Base-Backbone interact. energy: -0.002 local terms energy: -20.890216 where: bonds (distance) C4'-P energy: -2.404 bonds (distance) P-C4' energy: -6.332 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -2.420 tors. eta vs tors. theta energy: -4.330 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: 6 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -39.530337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.530337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.530337 (E_RNA) where: Base-Base interactions energy: -17.579 where: short stacking energy: -17.579 Base-Backbone interact. energy: -0.000 local terms energy: -21.951168 where: bonds (distance) C4'-P energy: -4.545 bonds (distance) P-C4' energy: -3.336 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -37.729460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.729460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.729460 (E_RNA) where: Base-Base interactions energy: -21.198 where: short stacking energy: -21.198 Base-Backbone interact. energy: -0.027 local terms energy: -16.504372 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -3.520 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: 0.381 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -91.470845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.470845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.470845 (E_RNA) where: Base-Base interactions energy: -69.170 where: short stacking energy: -26.010 Base-Backbone interact. energy: -1.393 local terms energy: -20.907572 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.786 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: 2.428 tors. eta vs tors. theta energy: -5.888 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: 2 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -88.123209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.123209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.123209 (E_RNA) where: Base-Base interactions energy: -64.371 where: short stacking energy: -26.038 Base-Backbone interact. energy: -0.021 local terms energy: -23.731738 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -0.145 tors. eta vs tors. theta energy: -4.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -82.488334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.488334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.488334 (E_RNA) where: Base-Base interactions energy: -52.879 where: short stacking energy: -22.111 Base-Backbone interact. energy: -0.010 local terms energy: -29.599567 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -5.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -82.717148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.717148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.717148 (E_RNA) where: Base-Base interactions energy: -52.212 where: short stacking energy: -21.530 Base-Backbone interact. energy: -0.001 local terms energy: -30.504451 where: bonds (distance) C4'-P energy: -5.872 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -6.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -78.787101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.787101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.787101 (E_RNA) where: Base-Base interactions energy: -52.214 where: short stacking energy: -23.361 Base-Backbone interact. energy: -0.000 local terms energy: -26.573180 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -1.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -81.716697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.716697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.716697 (E_RNA) where: Base-Base interactions energy: -58.131 where: short stacking energy: -22.471 Base-Backbone interact. energy: -0.461 local terms energy: -23.124379 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -4.734 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: 0.483 tors. eta vs tors. theta energy: -5.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -41.023822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.023822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.023822 (E_RNA) where: Base-Base interactions energy: -14.426 where: short stacking energy: -14.426 Base-Backbone interact. energy: -0.001 local terms energy: -26.596275 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -47.451533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.451533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.451533 (E_RNA) where: Base-Base interactions energy: -20.449 where: short stacking energy: -20.449 Base-Backbone interact. energy: -0.000 local terms energy: -27.001841 where: bonds (distance) C4'-P energy: -5.356 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -2.829 tors. eta vs tors. theta energy: -4.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -41.707590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.707590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.707590 (E_RNA) where: Base-Base interactions energy: -17.345 where: short stacking energy: -17.345 Base-Backbone interact. energy: -0.211 local terms energy: -24.151036 where: bonds (distance) C4'-P energy: -5.147 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -2.329 tors. eta vs tors. theta energy: -3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -41.372845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.372845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.372845 (E_RNA) where: Base-Base interactions energy: -17.958 where: short stacking energy: -10.190 Base-Backbone interact. energy: -0.007 local terms energy: -23.407959 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -2.869 tors. eta vs tors. theta energy: -3.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -92.450331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.450331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.450331 (E_RNA) where: Base-Base interactions energy: -69.122 where: short stacking energy: -25.590 Base-Backbone interact. energy: -0.005 local terms energy: -23.323992 where: bonds (distance) C4'-P energy: -4.942 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: 0.216 tors. eta vs tors. theta energy: -4.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -91.144471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.144471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.144471 (E_RNA) where: Base-Base interactions energy: -65.377 where: short stacking energy: -24.943 Base-Backbone interact. energy: -0.550 local terms energy: -25.217573 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -0.155 tors. eta vs tors. theta energy: -4.199 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: 2 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -85.801768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.801768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.801768 (E_RNA) where: Base-Base interactions energy: -58.420 where: short stacking energy: -17.134 Base-Backbone interact. energy: -0.025 local terms energy: -27.357547 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -7.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -84.929135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.929135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.929135 (E_RNA) where: Base-Base interactions energy: -63.276 where: short stacking energy: -25.327 Base-Backbone interact. energy: -0.005 local terms energy: -21.647505 where: bonds (distance) C4'-P energy: -5.604 bonds (distance) P-C4' energy: -5.256 flat angles C4'-P-C4' energy: -6.193 flat angles P-C4'-P energy: 0.894 tors. eta vs tors. theta energy: -5.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -54.591957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.591957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.591957 (E_RNA) where: Base-Base interactions energy: -32.175 where: short stacking energy: -16.018 Base-Backbone interact. energy: -0.000 local terms energy: -22.416832 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.015 flat angles P-C4'-P energy: -2.283 tors. eta vs tors. theta energy: -2.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -78.870042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.870042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.870042 (E_RNA) where: Base-Base interactions energy: -54.092 where: short stacking energy: -22.738 Base-Backbone interact. energy: -0.000 local terms energy: -24.777123 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -2.249 tors. eta vs tors. theta energy: -3.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -46.919952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.919952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.919952 (E_RNA) where: Base-Base interactions energy: -22.720 where: short stacking energy: -22.720 Base-Backbone interact. energy: -0.001 local terms energy: -24.199085 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.136 flat angles P-C4'-P energy: -2.812 tors. eta vs tors. theta energy: -3.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -49.143508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.143508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.143508 (E_RNA) where: Base-Base interactions energy: -24.059 where: short stacking energy: -7.036 Base-Backbone interact. energy: -0.027 local terms energy: -25.057420 where: bonds (distance) C4'-P energy: -5.293 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -42.918770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.918770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.918770 (E_RNA) where: Base-Base interactions energy: -18.166 where: short stacking energy: -18.166 Base-Backbone interact. energy: -0.129 local terms energy: -24.624433 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -4.360 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: 6 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -37.282948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.282948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.282948 (E_RNA) where: Base-Base interactions energy: -19.221 where: short stacking energy: -14.689 Base-Backbone interact. energy: -0.207 local terms energy: -17.854437 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -3.749 flat angles C4'-P-C4' energy: -2.823 flat angles P-C4'-P energy: -5.192 tors. eta vs tors. theta energy: -0.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -91.175200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.175200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.175200 (E_RNA) where: Base-Base interactions energy: -65.448 where: short stacking energy: -26.288 Base-Backbone interact. energy: -0.100 local terms energy: -25.627406 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.490 flat angles P-C4'-P energy: -1.766 tors. eta vs tors. theta energy: -3.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -83.848649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.848649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.848649 (E_RNA) where: Base-Base interactions energy: -66.115 where: short stacking energy: -23.724 Base-Backbone interact. energy: -0.002 local terms energy: -17.731417 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: 0.886 tors. eta vs tors. theta energy: -1.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -90.605780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.605780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.605780 (E_RNA) where: Base-Base interactions energy: -68.195 where: short stacking energy: -24.996 Base-Backbone interact. energy: -0.066 local terms energy: -22.344670 where: bonds (distance) C4'-P energy: -5.107 bonds (distance) P-C4' energy: -5.643 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -1.241 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -89.528916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.528916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.528916 (E_RNA) where: Base-Base interactions energy: -66.993 where: short stacking energy: -24.056 Base-Backbone interact. energy: -0.037 local terms energy: -22.499458 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: 2.003 tors. eta vs tors. theta energy: -6.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -89.460105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.460105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.460105 (E_RNA) where: Base-Base interactions energy: -68.216 where: short stacking energy: -29.727 Base-Backbone interact. energy: -0.002 local terms energy: -21.241495 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: 2.519 tors. eta vs tors. theta energy: -5.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -56.919148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.919148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.919148 (E_RNA) where: Base-Base interactions energy: -32.304 where: short stacking energy: -21.691 Base-Backbone interact. energy: -0.063 local terms energy: -24.551800 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.188 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -5.928 tors. eta vs tors. theta energy: -1.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -46.837216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.837216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.837216 (E_RNA) where: Base-Base interactions energy: -22.452 where: short stacking energy: -20.442 Base-Backbone interact. energy: -0.003 local terms energy: -24.381920 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -3.230 flat angles P-C4'-P energy: -3.596 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: 8, replica: 9 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -47.888671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.888671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.888671 (E_RNA) where: Base-Base interactions energy: -26.598 where: short stacking energy: -15.739 Base-Backbone interact. energy: -0.004 local terms energy: -21.286106 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -4.355 tors. eta vs tors. theta energy: -0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -39.407036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.407036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.407036 (E_RNA) where: Base-Base interactions energy: -19.116 where: short stacking energy: -19.116 Base-Backbone interact. energy: -0.059 local terms energy: -20.231583 where: bonds (distance) C4'-P energy: -3.628 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -3.041 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: -2.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -48.421710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.421710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.421710 (E_RNA) where: Base-Base interactions energy: -21.588 where: short stacking energy: -21.588 Base-Backbone interact. energy: -0.005 local terms energy: -26.829580 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -4.100 tors. eta vs tors. theta energy: -4.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -95.257392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.257392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.257392 (E_RNA) where: Base-Base interactions energy: -72.321 where: short stacking energy: -28.078 Base-Backbone interact. energy: -0.008 local terms energy: -22.928149 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: 2.592 tors. eta vs tors. theta energy: -6.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -74.818472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.818472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.818472 (E_RNA) where: Base-Base interactions energy: -46.939 where: short stacking energy: -22.061 Base-Backbone interact. energy: -0.001 local terms energy: -27.878506 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -2.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -96.111954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.111954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.111954 (E_RNA) where: Base-Base interactions energy: -74.995 where: short stacking energy: -29.375 Base-Backbone interact. energy: -0.002 local terms energy: -21.114865 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: 1.456 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: 4, replica: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -90.923828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.923828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.923828 (E_RNA) where: Base-Base interactions energy: -64.801 where: short stacking energy: -26.090 Base-Backbone interact. energy: -0.415 local terms energy: -25.707819 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -1.406 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: 5, replica: 5 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -86.878353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.878353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.878353 (E_RNA) where: Base-Base interactions energy: -64.181 where: short stacking energy: -24.458 Base-Backbone interact. energy: -0.007 local terms energy: -22.690571 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: 0.258 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: 6, replica: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -43.898574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.898574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.898574 (E_RNA) where: Base-Base interactions energy: -18.997 where: short stacking energy: -18.997 Base-Backbone interact. energy: -0.004 local terms energy: -24.897319 where: bonds (distance) C4'-P energy: -4.449 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -3.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -39.138867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.138867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.138867 (E_RNA) where: Base-Base interactions energy: -19.589 where: short stacking energy: -19.589 Base-Backbone interact. energy: -0.000 local terms energy: -19.549888 where: bonds (distance) C4'-P energy: -3.496 bonds (distance) P-C4' energy: -4.686 flat angles C4'-P-C4' energy: -1.239 flat angles P-C4'-P energy: -4.753 tors. eta vs tors. theta energy: -5.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -43.568706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.568706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.568706 (E_RNA) where: Base-Base interactions energy: -18.612 where: short stacking energy: -18.612 Base-Backbone interact. energy: -0.000 local terms energy: -24.956909 where: bonds (distance) C4'-P energy: -2.362 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -5.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -57.878529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.878529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.878529 (E_RNA) where: Base-Base interactions energy: -30.685 where: short stacking energy: -28.467 Base-Backbone interact. energy: -0.000 local terms energy: -27.193431 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -7.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -41.850019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.850019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.850019 (E_RNA) where: Base-Base interactions energy: -17.492 where: short stacking energy: -17.492 Base-Backbone interact. energy: -0.087 local terms energy: -24.271275 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -2.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -83.432481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.432481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.432481 (E_RNA) where: Base-Base interactions energy: -53.978 where: short stacking energy: -21.991 Base-Backbone interact. energy: -0.000 local terms energy: -29.453982 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -5.649 tors. eta vs tors. theta energy: -3.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -94.621567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.621567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.621567 (E_RNA) where: Base-Base interactions energy: -73.351 where: short stacking energy: -29.644 Base-Backbone interact. energy: -0.213 local terms energy: -21.057890 where: bonds (distance) C4'-P energy: -4.850 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: 1.411 tors. eta vs tors. theta energy: -5.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -92.453977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.453977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.453977 (E_RNA) where: Base-Base interactions energy: -74.906 where: short stacking energy: -30.329 Base-Backbone interact. energy: -0.024 local terms energy: -17.524147 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -5.060 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: 3.232 tors. eta vs tors. theta energy: -6.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -78.942972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.942972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.942972 (E_RNA) where: Base-Base interactions energy: -50.065 where: short stacking energy: -22.084 Base-Backbone interact. energy: -0.002 local terms energy: -28.876062 where: bonds (distance) C4'-P energy: -4.560 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -7.149 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -6.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -71.759486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.759486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.759486 (E_RNA) where: Base-Base interactions energy: -49.674 where: short stacking energy: -20.701 Base-Backbone interact. energy: -0.002 local terms energy: -22.083519 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -4.369 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -2.337 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: 6, replica: 5 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -81.828672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.828672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.828672 (E_RNA) where: Base-Base interactions energy: -54.651 where: short stacking energy: -14.323 Base-Backbone interact. energy: -0.004 local terms energy: -27.173805 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -3.573 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: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -47.366436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.366436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.366436 (E_RNA) where: Base-Base interactions energy: -24.304 where: short stacking energy: -20.116 Base-Backbone interact. energy: -0.007 local terms energy: -23.055551 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -43.439547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.439547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.439547 (E_RNA) where: Base-Base interactions energy: -19.447 where: short stacking energy: -19.447 Base-Backbone interact. energy: -0.020 local terms energy: -23.973509 where: bonds (distance) C4'-P energy: -5.074 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -3.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -44.776367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.776367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.776367 (E_RNA) where: Base-Base interactions energy: -16.543 where: short stacking energy: -16.416 Base-Backbone interact. energy: -0.006 local terms energy: -28.227865 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.238 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -4.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -40.578278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.578278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.578278 (E_RNA) where: Base-Base interactions energy: -20.772 where: short stacking energy: -20.149 Base-Backbone interact. energy: -0.072 local terms energy: -19.734499 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -3.861 flat angles P-C4'-P energy: -2.847 tors. eta vs tors. theta energy: -2.164 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: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -85.981495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.981495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.981495 (E_RNA) where: Base-Base interactions energy: -59.989 where: short stacking energy: -24.374 Base-Backbone interact. energy: -0.002 local terms energy: -25.990361 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -4.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -88.088843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.088843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.088843 (E_RNA) where: Base-Base interactions energy: -59.883 where: short stacking energy: -24.086 Base-Backbone interact. energy: -0.017 local terms energy: -28.188488 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -4.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -91.700432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.700432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.700432 (E_RNA) where: Base-Base interactions energy: -67.231 where: short stacking energy: -24.026 Base-Backbone interact. energy: -0.002 local terms energy: -24.467348 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: 0.164 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: 4, replica: 4 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -76.249847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.249847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.249847 (E_RNA) where: Base-Base interactions energy: -50.583 where: short stacking energy: -23.350 Base-Backbone interact. energy: -0.213 local terms energy: -25.453908 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -6.193 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -4.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -88.063442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.063442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.063442 (E_RNA) where: Base-Base interactions energy: -68.277 where: short stacking energy: -26.508 Base-Backbone interact. energy: -0.002 local terms energy: -19.784205 where: bonds (distance) C4'-P energy: -2.217 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.317 flat angles P-C4'-P energy: 1.266 tors. eta vs tors. theta energy: -5.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -74.899295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.899295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.899295 (E_RNA) where: Base-Base interactions energy: -47.538 where: short stacking energy: -14.409 Base-Backbone interact. energy: -0.000 local terms energy: -27.360840 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: -5.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -47.920103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.920103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.920103 (E_RNA) where: Base-Base interactions energy: -24.572 where: short stacking energy: -20.012 Base-Backbone interact. energy: -0.167 local terms energy: -23.180660 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -7.289 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -2.078 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: 341 Temperature: 1.250000 Total energy: -38.851996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.851996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.851996 (E_RNA) where: Base-Base interactions energy: -18.110 where: short stacking energy: -18.110 Base-Backbone interact. energy: -0.001 local terms energy: -20.740856 where: bonds (distance) C4'-P energy: -3.682 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: 0.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -42.535050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.535050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.535050 (E_RNA) where: Base-Base interactions energy: -16.969 where: short stacking energy: -16.969 Base-Backbone interact. energy: -0.000 local terms energy: -25.566439 where: bonds (distance) C4'-P energy: -4.816 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -6.809 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -5.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -41.550009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.550009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.550009 (E_RNA) where: Base-Base interactions energy: -15.681 where: short stacking energy: -15.076 Base-Backbone interact. energy: -0.002 local terms energy: -25.867369 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -4.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -90.936055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.936055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.936055 (E_RNA) where: Base-Base interactions energy: -65.321 where: short stacking energy: -25.790 Base-Backbone interact. energy: -0.005 local terms energy: -25.609808 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -0.755 tors. eta vs tors. theta energy: -5.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -84.864438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.864438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.864438 (E_RNA) where: Base-Base interactions energy: -61.591 where: short stacking energy: -25.437 Base-Backbone interact. energy: -0.026 local terms energy: -23.247817 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -2.630 tors. eta vs tors. theta energy: -0.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -83.705389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.705389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.705389 (E_RNA) where: Base-Base interactions energy: -64.462 where: short stacking energy: -23.298 Base-Backbone interact. energy: -0.006 local terms energy: -19.236922 where: bonds (distance) C4'-P energy: -3.729 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: 0.103 tors. eta vs tors. theta energy: -3.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -45.520306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.520306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.520306 (E_RNA) where: Base-Base interactions energy: -19.512 where: short stacking energy: -19.512 Base-Backbone interact. energy: 0.054 local terms energy: -26.062245 where: bonds (distance) C4'-P energy: -3.542 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -52.464128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.464128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.464128 (E_RNA) where: Base-Base interactions energy: -22.168 where: short stacking energy: -21.067 Base-Backbone interact. energy: -0.001 local terms energy: -30.295634 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -4.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -77.884713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.884713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.884713 (E_RNA) where: Base-Base interactions energy: -57.865 where: short stacking energy: -21.337 Base-Backbone interact. energy: -0.002 local terms energy: -20.018312 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.744 flat angles P-C4'-P energy: 2.864 tors. eta vs tors. theta energy: -5.256 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: 6 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -50.309526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.309526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.309526 (E_RNA) where: Base-Base interactions energy: -22.092 where: short stacking energy: -22.092 Base-Backbone interact. energy: -0.000 local terms energy: -28.217202 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -1.088 tors. eta vs tors. theta energy: -7.946 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: 9 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -48.106300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.106300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.106300 (E_RNA) where: Base-Base interactions energy: -17.071 where: short stacking energy: -17.071 Base-Backbone interact. energy: -0.000 local terms energy: -31.035710 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.033 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: -6.745 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: 8 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -41.414741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.414741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.414741 (E_RNA) where: Base-Base interactions energy: -16.913 where: short stacking energy: -16.913 Base-Backbone interact. energy: -0.000 local terms energy: -24.501909 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: -1.984 tors. eta vs tors. theta energy: -2.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -35.918210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.918210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.918210 (E_RNA) where: Base-Base interactions energy: -13.514 where: short stacking energy: -12.710 Base-Backbone interact. energy: -0.113 local terms energy: -22.290689 where: bonds (distance) C4'-P energy: -4.208 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -6.036 tors. eta vs tors. theta energy: -0.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -87.799360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.799360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.799360 (E_RNA) where: Base-Base interactions energy: -62.136 where: short stacking energy: -23.744 Base-Backbone interact. energy: -0.003 local terms energy: -25.660654 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: -6.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -80.516870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.516870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.516870 (E_RNA) where: Base-Base interactions energy: -52.369 where: short stacking energy: -23.817 Base-Backbone interact. energy: -0.001 local terms energy: -28.146036 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -5.578 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: 3, replica: 2 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -82.893127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.893127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.893127 (E_RNA) where: Base-Base interactions energy: -55.349 where: short stacking energy: -24.433 Base-Backbone interact. energy: -0.001 local terms energy: -27.543410 where: bonds (distance) C4'-P energy: -4.901 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -3.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -47.908038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.908038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.908038 (E_RNA) where: Base-Base interactions energy: -23.991 where: short stacking energy: -23.991 Base-Backbone interact. energy: -0.052 local terms energy: -23.864648 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -4.511 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: -2.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -52.257944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.257944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.257944 (E_RNA) where: Base-Base interactions energy: -22.010 where: short stacking energy: -22.010 Base-Backbone interact. energy: -0.039 local terms energy: -30.209073 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -3.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -75.942273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.942273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.942273 (E_RNA) where: Base-Base interactions energy: -53.533 where: short stacking energy: -17.963 Base-Backbone interact. energy: -0.001 local terms energy: -22.408081 where: bonds (distance) C4'-P energy: -2.556 bonds (distance) P-C4' energy: -4.799 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -4.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -48.585149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.585149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.585149 (E_RNA) where: Base-Base interactions energy: -24.153 where: short stacking energy: -24.153 Base-Backbone interact. energy: -0.570 local terms energy: -23.861631 where: bonds (distance) C4'-P energy: -4.543 bonds (distance) P-C4' energy: -4.602 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -4.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -40.527766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.527766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.527766 (E_RNA) where: Base-Base interactions energy: -20.127 where: short stacking energy: -20.127 Base-Backbone interact. energy: -0.000 local terms energy: -20.400629 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -1.956 tors. eta vs tors. theta energy: -1.843 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: 343 Temperature: 1.300000 Total energy: -43.672771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.672771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.672771 (E_RNA) where: Base-Base interactions energy: -15.255 where: short stacking energy: -15.255 Base-Backbone interact. energy: -0.000 local terms energy: -28.417194 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -5.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -36.245405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.245405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.245405 (E_RNA) where: Base-Base interactions energy: -15.979 where: short stacking energy: -15.979 Base-Backbone interact. energy: -0.050 local terms energy: -20.216285 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -0.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -84.429639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.429639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.429639 (E_RNA) where: Base-Base interactions energy: -56.816 where: short stacking energy: -21.992 Base-Backbone interact. energy: -0.000 local terms energy: -27.613208 where: bonds (distance) C4'-P energy: -7.040 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -4.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -82.776198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.776198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.776198 (E_RNA) where: Base-Base interactions energy: -58.814 where: short stacking energy: -21.483 Base-Backbone interact. energy: -0.001 local terms energy: -23.961317 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -2.165 tors. eta vs tors. theta energy: -3.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -82.766495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.766495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.766495 (E_RNA) where: Base-Base interactions energy: -54.743 where: short stacking energy: -24.663 Base-Backbone interact. energy: 1.137 local terms energy: -29.160572 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -4.558 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: 4, replica: 5 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -56.621932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.621932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.621932 (E_RNA) where: Base-Base interactions energy: -29.559 where: short stacking energy: -18.254 Base-Backbone interact. energy: -0.000 local terms energy: -27.062954 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -3.313 tors. eta vs tors. theta energy: -2.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -88.207892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.207892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.207892 (E_RNA) where: Base-Base interactions energy: -70.515 where: short stacking energy: -28.873 Base-Backbone interact. energy: -0.003 local terms energy: -17.690049 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: 1.213 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: 6, replica: 4 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -57.621677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.621677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.621677 (E_RNA) where: Base-Base interactions energy: -29.907 where: short stacking energy: -17.980 Base-Backbone interact. energy: -0.011 local terms energy: -27.703657 where: bonds (distance) C4'-P energy: -5.178 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -4.636 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: 8 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -48.850173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.850173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.850173 (E_RNA) where: Base-Base interactions energy: -23.766 where: short stacking energy: -23.766 Base-Backbone interact. energy: -0.001 local terms energy: -25.082665 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -1.091 tors. eta vs tors. theta energy: -5.893 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: 6 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -47.416077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.416077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.416077 (E_RNA) where: Base-Base interactions energy: -21.651 where: short stacking energy: -21.651 Base-Backbone interact. energy: -0.060 local terms energy: -25.704648 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -3.328 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: 344 Temperature: 1.300000 Total energy: -39.011847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.011847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.011847 (E_RNA) where: Base-Base interactions energy: -16.313 where: short stacking energy: -16.313 Base-Backbone interact. energy: -0.009 local terms energy: -22.690032 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -3.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -70.001471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.001471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.001471 (E_RNA) where: Base-Base interactions energy: -44.006 where: short stacking energy: -22.073 Base-Backbone interact. energy: -0.000 local terms energy: -25.995105 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -2.887 tors. eta vs tors. theta energy: -4.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -90.727709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.727709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.727709 (E_RNA) where: Base-Base interactions energy: -64.364 where: short stacking energy: -26.300 Base-Backbone interact. energy: -0.001 local terms energy: -26.362846 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -2.703 tors. eta vs tors. theta energy: -4.784 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: 2 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -84.984404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.984404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.984404 (E_RNA) where: Base-Base interactions energy: -64.073 where: short stacking energy: -23.488 Base-Backbone interact. energy: -0.071 local terms energy: -20.840277 where: bonds (distance) C4'-P energy: -3.429 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -7.431 flat angles P-C4'-P energy: -0.302 tors. eta vs tors. theta energy: -3.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -85.519403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.519403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.519403 (E_RNA) where: Base-Base interactions energy: -60.337 where: short stacking energy: -18.426 Base-Backbone interact. energy: -0.033 local terms energy: -25.149132 where: bonds (distance) C4'-P energy: -4.457 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -3.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -77.040605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.040605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.040605 (E_RNA) where: Base-Base interactions energy: -47.845 where: short stacking energy: -20.414 Base-Backbone interact. energy: -0.231 local terms energy: -28.963956 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -52.595942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.595942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.595942 (E_RNA) where: Base-Base interactions energy: -21.523 where: short stacking energy: -21.523 Base-Backbone interact. energy: -0.009 local terms energy: -31.064480 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -5.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -50.105851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.105851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.105851 (E_RNA) where: Base-Base interactions energy: -22.218 where: short stacking energy: -22.218 Base-Backbone interact. energy: -0.017 local terms energy: -27.871520 where: bonds (distance) C4'-P energy: -6.373 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -6.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -39.071754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.071754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.071754 (E_RNA) where: Base-Base interactions energy: -14.247 where: short stacking energy: -14.247 Base-Backbone interact. energy: -0.018 local terms energy: -24.806666 where: bonds (distance) C4'-P energy: -3.340 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -5.472 tors. eta vs tors. theta energy: -2.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -45.950324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.950324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.950324 (E_RNA) where: Base-Base interactions energy: -23.856 where: short stacking energy: -14.453 Base-Backbone interact. energy: 0.221 local terms energy: -22.314589 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -2.550 tors. eta vs tors. theta energy: -0.815 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: 9, replica: 6 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -32.732260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.732260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.732260 (E_RNA) where: Base-Base interactions energy: -10.708 where: short stacking energy: -10.708 Base-Backbone interact. energy: -0.016 local terms energy: -22.008691 where: bonds (distance) C4'-P energy: -6.373 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -1.378 tors. eta vs tors. theta energy: -1.791 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: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -69.554940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.554940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.554940 (E_RNA) where: Base-Base interactions energy: -44.634 where: short stacking energy: -17.409 Base-Backbone interact. energy: -0.014 local terms energy: -24.906590 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -3.728 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -4.496 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: 3 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -94.989469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.989469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.989469 (E_RNA) where: Base-Base interactions energy: -67.506 where: short stacking energy: -27.048 Base-Backbone interact. energy: -0.403 local terms energy: -27.080082 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -0.870 tors. eta vs tors. theta energy: -6.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -85.769339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.769339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.769339 (E_RNA) where: Base-Base interactions energy: -67.066 where: short stacking energy: -25.287 Base-Backbone interact. energy: -0.022 local terms energy: -18.681562 where: bonds (distance) C4'-P energy: -5.338 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.297 flat angles P-C4'-P energy: 1.418 tors. eta vs tors. theta energy: -3.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -80.223735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.223735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.223735 (E_RNA) where: Base-Base interactions energy: -61.812 where: short stacking energy: -18.266 Base-Backbone interact. energy: -0.090 local terms energy: -18.321770 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: 0.523 tors. eta vs tors. theta energy: -4.492 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: 1 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -77.509226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.509226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.509226 (E_RNA) where: Base-Base interactions energy: -53.104 where: short stacking energy: -22.699 Base-Backbone interact. energy: -0.003 local terms energy: -24.402857 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -0.512 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: 5, replica: 5 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -52.367026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.367026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.367026 (E_RNA) where: Base-Base interactions energy: -22.693 where: short stacking energy: -22.693 Base-Backbone interact. energy: -0.036 local terms energy: -29.638156 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: -5.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -43.617851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.617851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.617851 (E_RNA) where: Base-Base interactions energy: -20.488 where: short stacking energy: -20.488 Base-Backbone interact. energy: -0.002 local terms energy: -23.127978 where: bonds (distance) C4'-P energy: -3.736 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -4.015 tors. eta vs tors. theta energy: -2.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -48.840912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.840912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.840912 (E_RNA) where: Base-Base interactions energy: -27.954 where: short stacking energy: -10.435 Base-Backbone interact. energy: -0.182 local terms energy: -20.705329 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: 0.517 tors. eta vs tors. theta energy: -2.013 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: 4 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -45.824228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.824228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.824228 (E_RNA) where: Base-Base interactions energy: -21.576 where: short stacking energy: -21.576 Base-Backbone interact. energy: -0.128 local terms energy: -24.119451 where: bonds (distance) C4'-P energy: -3.712 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -3.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -40.032596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.032596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.032596 (E_RNA) where: Base-Base interactions energy: -17.449 where: short stacking energy: -17.449 Base-Backbone interact. energy: 0.352 local terms energy: -22.935854 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -5.749 flat angles C4'-P-C4' energy: -3.873 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -38.377647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.377647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.377647 (E_RNA) where: Base-Base interactions energy: -16.552 where: short stacking energy: -16.552 Base-Backbone interact. energy: -0.057 local terms energy: -21.768753 where: bonds (distance) C4'-P energy: -4.304 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -1.690 tors. eta vs tors. theta energy: -2.262 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: 3 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -94.951842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.951842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.951842 (E_RNA) where: Base-Base interactions energy: -68.838 where: short stacking energy: -24.948 Base-Backbone interact. energy: -0.002 local terms energy: -26.111435 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -1.736 tors. eta vs tors. theta energy: -5.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -88.615089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.615089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.615089 (E_RNA) where: Base-Base interactions energy: -58.256 where: short stacking energy: -23.998 Base-Backbone interact. energy: -0.003 local terms energy: -30.356820 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -6.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -86.648454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.648454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.648454 (E_RNA) where: Base-Base interactions energy: -63.379 where: short stacking energy: -22.210 Base-Backbone interact. energy: -0.003 local terms energy: -23.266859 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: 0.138 tors. eta vs tors. theta energy: -5.370 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: 1 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -78.867472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.867472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.867472 (E_RNA) where: Base-Base interactions energy: -55.023 where: short stacking energy: -17.977 Base-Backbone interact. energy: -0.001 local terms energy: -23.842876 where: bonds (distance) C4'-P energy: -4.614 bonds (distance) P-C4' energy: -4.652 flat angles C4'-P-C4' energy: -7.380 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -2.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -48.670271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.670271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.670271 (E_RNA) where: Base-Base interactions energy: -23.999 where: short stacking energy: -23.999 Base-Backbone interact. energy: -0.064 local terms energy: -24.606570 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: 0.194 tors. eta vs tors. theta energy: -4.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -42.880695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.880695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.880695 (E_RNA) where: Base-Base interactions energy: -16.845 where: short stacking energy: -16.845 Base-Backbone interact. energy: -0.000 local terms energy: -26.035652 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -1.288 tors. eta vs tors. theta energy: -6.696 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: 8 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -58.149295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.149295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.149295 (E_RNA) where: Base-Base interactions energy: -35.192 where: short stacking energy: -22.276 Base-Backbone interact. energy: -0.011 local terms energy: -22.946380 where: bonds (distance) C4'-P energy: -2.656 bonds (distance) P-C4' energy: -5.585 flat angles C4'-P-C4' energy: -5.526 flat angles P-C4'-P energy: -5.362 tors. eta vs tors. theta energy: -3.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -34.752291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.752291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.752291 (E_RNA) where: Base-Base interactions energy: -14.109 where: short stacking energy: -12.053 Base-Backbone interact. energy: 0.794 local terms energy: -21.437360 where: bonds (distance) C4'-P energy: -3.761 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.878 flat angles P-C4'-P energy: -2.869 tors. eta vs tors. theta energy: -1.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -43.015042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.015042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.015042 (E_RNA) where: Base-Base interactions energy: -19.768 where: short stacking energy: -19.768 Base-Backbone interact. energy: -0.001 local terms energy: -23.245987 where: bonds (distance) C4'-P energy: -5.636 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -3.563 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: 6 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -42.383251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.383251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.383251 (E_RNA) where: Base-Base interactions energy: -18.392 where: short stacking energy: -18.392 Base-Backbone interact. energy: -0.009 local terms energy: -23.982860 where: bonds (distance) C4'-P energy: -4.436 bonds (distance) P-C4' energy: -5.888 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -3.226 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: 10 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -83.434757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.434757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.434757 (E_RNA) where: Base-Base interactions energy: -53.932 where: short stacking energy: -22.290 Base-Backbone interact. energy: -0.102 local terms energy: -29.401441 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -1.568 tors. eta vs tors. theta energy: -6.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -88.294447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.294447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.294447 (E_RNA) where: Base-Base interactions energy: -61.545 where: short stacking energy: -21.746 Base-Backbone interact. energy: -0.002 local terms energy: -26.748202 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -5.174 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: 1 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -82.207186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.207186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.207186 (E_RNA) where: Base-Base interactions energy: -50.200 where: short stacking energy: -24.153 Base-Backbone interact. energy: -0.013 local terms energy: -31.994116 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -5.462 tors. eta vs tors. theta energy: -5.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -58.538468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.538468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.538468 (E_RNA) where: Base-Base interactions energy: -34.587 where: short stacking energy: -15.110 Base-Backbone interact. energy: -0.398 local terms energy: -23.552957 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -1.288 tors. eta vs tors. theta energy: -3.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -50.497675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.497675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.497675 (E_RNA) where: Base-Base interactions energy: -29.119 where: short stacking energy: -24.369 Base-Backbone interact. energy: -0.017 local terms energy: -21.362385 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -4.240 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -2.248 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: 348 Temperature: 1.150000 Total energy: -49.306986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.306986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.306986 (E_RNA) where: Base-Base interactions energy: -21.268 where: short stacking energy: -21.268 Base-Backbone interact. energy: -0.043 local terms energy: -27.995622 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -4.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -50.236117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.236117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.236117 (E_RNA) where: Base-Base interactions energy: -22.195 where: short stacking energy: -10.898 Base-Backbone interact. energy: -0.132 local terms energy: -27.909340 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -2.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -49.555221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.555221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.555221 (E_RNA) where: Base-Base interactions energy: -24.756 where: short stacking energy: -20.708 Base-Backbone interact. energy: -0.000 local terms energy: -24.798727 where: bonds (distance) C4'-P energy: -5.325 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -4.212 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -4.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -37.709313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.709313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.709313 (E_RNA) where: Base-Base interactions energy: -13.400 where: short stacking energy: -13.400 Base-Backbone interact. energy: -0.061 local terms energy: -24.248395 where: bonds (distance) C4'-P energy: -5.364 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -3.412 tors. eta vs tors. theta energy: -2.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -38.799433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.799433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.799433 (E_RNA) where: Base-Base interactions energy: -11.844 where: short stacking energy: -11.844 Base-Backbone interact. energy: -0.000 local terms energy: -26.955156 where: bonds (distance) C4'-P energy: -3.455 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -5.017 tors. eta vs tors. theta energy: -5.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -85.547266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.547266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.547266 (E_RNA) where: Base-Base interactions energy: -62.817 where: short stacking energy: -24.994 Base-Backbone interact. energy: -0.009 local terms energy: -22.720872 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: 0.047 tors. eta vs tors. theta energy: -4.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -84.439733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.439733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.439733 (E_RNA) where: Base-Base interactions energy: -61.660 where: short stacking energy: -27.815 Base-Backbone interact. energy: -0.002 local terms energy: -22.777803 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -2.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -82.463614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.463614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.463614 (E_RNA) where: Base-Base interactions energy: -59.501 where: short stacking energy: -22.614 Base-Backbone interact. energy: -0.059 local terms energy: -22.904135 where: bonds (distance) C4'-P energy: -3.997 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -1.109 tors. eta vs tors. theta energy: -5.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -75.122609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.122609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.122609 (E_RNA) where: Base-Base interactions energy: -51.266 where: short stacking energy: -16.007 Base-Backbone interact. energy: -0.066 local terms energy: -23.790417 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -2.800 tors. eta vs tors. theta energy: -2.085 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: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -49.062133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.062133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.062133 (E_RNA) where: Base-Base interactions energy: -22.610 where: short stacking energy: -20.957 Base-Backbone interact. energy: -0.190 local terms energy: -26.261767 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -5.289 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -5.191 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: 6, replica: 9 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -48.738981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.738981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.738981 (E_RNA) where: Base-Base interactions energy: -20.055 where: short stacking energy: -20.055 Base-Backbone interact. energy: -0.000 local terms energy: -28.683986 where: bonds (distance) C4'-P energy: -4.866 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -6.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -48.081751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.081751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.081751 (E_RNA) where: Base-Base interactions energy: -22.094 where: short stacking energy: -22.094 Base-Backbone interact. energy: -0.006 local terms energy: -25.981381 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -3.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -54.719274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.719274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.719274 (E_RNA) where: Base-Base interactions energy: -32.106 where: short stacking energy: -15.490 Base-Backbone interact. energy: -0.248 local terms energy: -22.365694 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.523 flat angles P-C4'-P energy: -4.545 tors. eta vs tors. theta energy: -0.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -44.973316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.973316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.973316 (E_RNA) where: Base-Base interactions energy: -24.619 where: short stacking energy: -24.619 Base-Backbone interact. energy: -0.000 local terms energy: -20.354155 where: bonds (distance) C4'-P energy: -0.159 bonds (distance) P-C4' energy: -4.957 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -4.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -41.840925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.840925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.840925 (E_RNA) where: Base-Base interactions energy: -19.899 where: short stacking energy: -14.711 Base-Backbone interact. energy: -0.030 local terms energy: -21.912389 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -4.627 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -85.351961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.351961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.351961 (E_RNA) where: Base-Base interactions energy: -58.616 where: short stacking energy: -25.337 Base-Backbone interact. energy: -0.000 local terms energy: -26.735715 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -5.263 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -5.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -82.831679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.831679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.831679 (E_RNA) where: Base-Base interactions energy: -59.075 where: short stacking energy: -21.389 Base-Backbone interact. energy: -0.001 local terms energy: -23.755631 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: 0.541 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: 3, replica: 5 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -79.989935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.989935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.989935 (E_RNA) where: Base-Base interactions energy: -51.730 where: short stacking energy: -21.980 Base-Backbone interact. energy: -0.001 local terms energy: -28.259544 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -88.261055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.261055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.261055 (E_RNA) where: Base-Base interactions energy: -64.998 where: short stacking energy: -25.822 Base-Backbone interact. energy: -0.004 local terms energy: -23.258318 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -0.168 tors. eta vs tors. theta energy: -6.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -51.481522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.481522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.481522 (E_RNA) where: Base-Base interactions energy: -30.639 where: short stacking energy: -17.636 Base-Backbone interact. energy: -0.000 local terms energy: -20.842250 where: bonds (distance) C4'-P energy: -4.776 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -3.014 tors. eta vs tors. theta energy: -0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -53.886365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.886365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.886365 (E_RNA) where: Base-Base interactions energy: -27.077 where: short stacking energy: -27.077 Base-Backbone interact. energy: -0.002 local terms energy: -26.807506 where: bonds (distance) C4'-P energy: -2.764 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -5.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -39.015859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.015859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.015859 (E_RNA) where: Base-Base interactions energy: -13.746 where: short stacking energy: -10.649 Base-Backbone interact. energy: -0.006 local terms energy: -25.263345 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -4.162 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: -2.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -51.146428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.146428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.146428 (E_RNA) where: Base-Base interactions energy: -23.918 where: short stacking energy: -23.918 Base-Backbone interact. energy: -0.001 local terms energy: -27.227140 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -2.984 flat angles P-C4'-P energy: -5.557 tors. eta vs tors. theta energy: -5.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -41.226273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.226273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.226273 (E_RNA) where: Base-Base interactions energy: -20.100 where: short stacking energy: -16.718 Base-Backbone interact. energy: -0.125 local terms energy: -21.001398 where: bonds (distance) C4'-P energy: -3.922 bonds (distance) P-C4' energy: -5.716 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -39.952342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.952342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.952342 (E_RNA) where: Base-Base interactions energy: -17.490 where: short stacking energy: -17.490 Base-Backbone interact. energy: 1.936 local terms energy: -24.398945 where: bonds (distance) C4'-P energy: -6.373 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -83.110242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.110242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.110242 (E_RNA) where: Base-Base interactions energy: -55.599 where: short stacking energy: -25.136 Base-Backbone interact. energy: -0.000 local terms energy: -27.510951 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -2.458 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: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -85.012793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.012793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.012793 (E_RNA) where: Base-Base interactions energy: -59.248 where: short stacking energy: -20.494 Base-Backbone interact. energy: -0.100 local terms energy: -25.664944 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -2.589 tors. eta vs tors. theta energy: -5.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -79.410631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.410631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.410631 (E_RNA) where: Base-Base interactions energy: -53.486 where: short stacking energy: -24.450 Base-Backbone interact. energy: -0.002 local terms energy: -25.922380 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -5.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -80.500154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.500154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.500154 (E_RNA) where: Base-Base interactions energy: -56.846 where: short stacking energy: -22.249 Base-Backbone interact. energy: -0.000 local terms energy: -23.654133 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -6.733 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -60.501127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.501127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.501127 (E_RNA) where: Base-Base interactions energy: -28.667 where: short stacking energy: -28.667 Base-Backbone interact. energy: -0.000 local terms energy: -31.834144 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -7.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -46.290117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.290117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.290117 (E_RNA) where: Base-Base interactions energy: -22.181 where: short stacking energy: -22.181 Base-Backbone interact. energy: -0.003 local terms energy: -24.106176 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: 0.977 tors. eta vs tors. theta energy: -6.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -42.740723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.740723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.740723 (E_RNA) where: Base-Base interactions energy: -21.020 where: short stacking energy: -21.020 Base-Backbone interact. energy: -0.048 local terms energy: -21.672256 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -2.956 tors. eta vs tors. theta energy: -0.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -47.388831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.388831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.388831 (E_RNA) where: Base-Base interactions energy: -21.972 where: short stacking energy: -21.047 Base-Backbone interact. energy: -0.000 local terms energy: -25.416739 where: bonds (distance) C4'-P energy: -5.148 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -2.094 tors. eta vs tors. theta energy: -3.958 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: 7 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -43.156926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.156926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.156926 (E_RNA) where: Base-Base interactions energy: -20.701 where: short stacking energy: -20.701 Base-Backbone interact. energy: -0.001 local terms energy: -22.454685 where: bonds (distance) C4'-P energy: -4.606 bonds (distance) P-C4' energy: -6.766 flat angles C4'-P-C4' energy: -3.239 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: -4.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -42.255508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.255508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.255508 (E_RNA) where: Base-Base interactions energy: -25.285 where: short stacking energy: -11.246 Base-Backbone interact. energy: -0.083 local terms energy: -16.887243 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -1.905 flat angles P-C4'-P energy: -2.347 tors. eta vs tors. theta energy: 0.164 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: 352 Temperature: 0.900000 Total energy: -96.712609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.712609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.712609 (E_RNA) where: Base-Base interactions energy: -71.421 where: short stacking energy: -25.983 Base-Backbone interact. energy: -0.063 local terms energy: -25.228183 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -0.830 tors. eta vs tors. theta energy: -6.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -92.012067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.012067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.012067 (E_RNA) where: Base-Base interactions energy: -65.722 where: short stacking energy: -25.509 Base-Backbone interact. energy: -0.161 local terms energy: -26.129326 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -0.114 tors. eta vs tors. theta energy: -6.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -78.818708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.818708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.818708 (E_RNA) where: Base-Base interactions energy: -55.632 where: short stacking energy: -19.629 Base-Backbone interact. energy: 0.594 local terms energy: -23.781046 where: bonds (distance) C4'-P energy: -6.150 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -1.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -81.688448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.688448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.688448 (E_RNA) where: Base-Base interactions energy: -58.018 where: short stacking energy: -23.577 Base-Backbone interact. energy: -0.008 local terms energy: -23.662822 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -2.259 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -5.055 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: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -57.867964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.867964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.867964 (E_RNA) where: Base-Base interactions energy: -28.460 where: short stacking energy: -28.460 Base-Backbone interact. energy: -0.000 local terms energy: -29.407553 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -2.974 tors. eta vs tors. theta energy: -8.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -43.059758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.059758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.059758 (E_RNA) where: Base-Base interactions energy: -19.662 where: short stacking energy: -19.662 Base-Backbone interact. energy: -0.003 local terms energy: -23.394566 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.913 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -2.585 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -50.677863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.677863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.677863 (E_RNA) where: Base-Base interactions energy: -21.998 where: short stacking energy: -21.998 Base-Backbone interact. energy: -0.006 local terms energy: -28.673686 where: bonds (distance) C4'-P energy: -4.481 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -4.046 tors. eta vs tors. theta energy: -6.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -43.489557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.489557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.489557 (E_RNA) where: Base-Base interactions energy: -22.160 where: short stacking energy: -22.160 Base-Backbone interact. energy: -0.000 local terms energy: -21.329463 where: bonds (distance) C4'-P energy: -3.736 bonds (distance) P-C4' energy: -4.893 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -2.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -48.581058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.581058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.581058 (E_RNA) where: Base-Base interactions energy: -24.699 where: short stacking energy: -24.699 Base-Backbone interact. energy: -0.000 local terms energy: -23.882309 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -2.078 flat angles C4'-P-C4' energy: -5.562 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -5.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -47.421036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.421036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.421036 (E_RNA) where: Base-Base interactions energy: -16.529 where: short stacking energy: -16.103 Base-Backbone interact. energy: -0.000 local terms energy: -30.891780 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -5.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -95.889173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.889173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.889173 (E_RNA) where: Base-Base interactions energy: -68.943 where: short stacking energy: -27.676 Base-Backbone interact. energy: -0.096 local terms energy: -26.850538 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -1.684 tors. eta vs tors. theta energy: -6.856 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: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -95.865706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.865706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.865706 (E_RNA) where: Base-Base interactions energy: -77.700 where: short stacking energy: -30.422 Base-Backbone interact. energy: -0.029 local terms energy: -18.135963 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -6.078 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: 1.089 tors. eta vs tors. theta energy: -3.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -88.711239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.711239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.711239 (E_RNA) where: Base-Base interactions energy: -60.495 where: short stacking energy: -20.981 Base-Backbone interact. energy: -0.007 local terms energy: -28.209481 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -2.476 tors. eta vs tors. theta energy: -7.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -55.773526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.773526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.773526 (E_RNA) where: Base-Base interactions energy: -29.504 where: short stacking energy: -20.486 Base-Backbone interact. energy: -0.018 local terms energy: -26.251967 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -6.794 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -4.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -78.931766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.931766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.931766 (E_RNA) where: Base-Base interactions energy: -55.908 where: short stacking energy: -20.854 Base-Backbone interact. energy: -0.001 local terms energy: -23.022920 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.301 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -2.200 tors. eta vs tors. theta energy: -3.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -54.149894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.149894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.149894 (E_RNA) where: Base-Base interactions energy: -24.540 where: short stacking energy: -24.540 Base-Backbone interact. energy: -0.050 local terms energy: -29.559601 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -5.851 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: 9 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -43.981784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.981784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.981784 (E_RNA) where: Base-Base interactions energy: -19.275 where: short stacking energy: -16.759 Base-Backbone interact. energy: -0.000 local terms energy: -24.706876 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -3.265 flat angles P-C4'-P energy: -4.065 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: 8, replica: 4 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -41.729612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.729612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.729612 (E_RNA) where: Base-Base interactions energy: -17.288 where: short stacking energy: -17.288 Base-Backbone interact. energy: -0.001 local terms energy: -24.440913 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -2.706 tors. eta vs tors. theta energy: -2.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -70.196879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.196879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.196879 (E_RNA) where: Base-Base interactions energy: -50.033 where: short stacking energy: -18.082 Base-Backbone interact. energy: -0.007 local terms energy: -20.157750 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -0.579 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -2.217 tors. eta vs tors. theta energy: -3.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -63.837464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.837464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.837464 (E_RNA) where: Base-Base interactions energy: -42.823 where: short stacking energy: -13.435 Base-Backbone interact. energy: -0.037 local terms energy: -20.978027 where: bonds (distance) C4'-P energy: -5.803 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -3.487 flat angles P-C4'-P energy: -4.046 tors. eta vs tors. theta energy: -0.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -96.989768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.989768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.989768 (E_RNA) where: Base-Base interactions energy: -69.835 where: short stacking energy: -24.032 Base-Backbone interact. energy: -0.081 local terms energy: -27.072967 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -0.646 tors. eta vs tors. theta energy: -6.604 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: 2, replica: 5 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -94.477939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.477939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.477939 (E_RNA) where: Base-Base interactions energy: -70.846 where: short stacking energy: -26.631 Base-Backbone interact. energy: -0.670 local terms energy: -22.961957 where: bonds (distance) C4'-P energy: -4.477 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -4.819 flat angles P-C4'-P energy: -0.242 tors. eta vs tors. theta energy: -6.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -83.205824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.205824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.205824 (E_RNA) where: Base-Base interactions energy: -60.512 where: short stacking energy: -19.068 Base-Backbone interact. energy: -0.479 local terms energy: -22.214722 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.720 flat angles P-C4'-P energy: 1.601 tors. eta vs tors. theta energy: -6.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -58.433367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.433367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.433367 (E_RNA) where: Base-Base interactions energy: -34.536 where: short stacking energy: -19.563 Base-Backbone interact. energy: -0.260 local terms energy: -23.637878 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.872 flat angles P-C4'-P energy: -1.311 tors. eta vs tors. theta energy: -3.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -53.008427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.008427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.008427 (E_RNA) where: Base-Base interactions energy: -23.029 where: short stacking energy: -23.029 Base-Backbone interact. energy: -0.001 local terms energy: -29.978348 where: bonds (distance) C4'-P energy: -7.131 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: -5.764 tors. eta vs tors. theta energy: -5.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -46.821152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.821152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.821152 (E_RNA) where: Base-Base interactions energy: -21.942 where: short stacking energy: -21.942 Base-Backbone interact. energy: -0.000 local terms energy: -24.878852 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -0.573 tors. eta vs tors. theta energy: -4.142 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: 7, replica: 4 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -45.421793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.421793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.421793 (E_RNA) where: Base-Base interactions energy: -23.219 where: short stacking energy: -23.219 Base-Backbone interact. energy: -0.021 local terms energy: -22.181948 where: bonds (distance) C4'-P energy: -3.496 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -1.898 tors. eta vs tors. theta energy: -5.854 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: 9 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -51.027608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.027608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.027608 (E_RNA) where: Base-Base interactions energy: -27.428 where: short stacking energy: -21.774 Base-Backbone interact. energy: -0.133 local terms energy: -23.466487 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -3.773 tors. eta vs tors. theta energy: -1.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -73.811908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.811908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.811908 (E_RNA) where: Base-Base interactions energy: -54.624 where: short stacking energy: -20.401 Base-Backbone interact. energy: -0.048 local terms energy: -19.139719 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -2.937 flat angles C4'-P-C4' energy: -5.997 flat angles P-C4'-P energy: -1.930 tors. eta vs tors. theta energy: -3.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -70.464685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.464685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.464685 (E_RNA) where: Base-Base interactions energy: -50.345 where: short stacking energy: -19.506 Base-Backbone interact. energy: -0.005 local terms energy: -20.114206 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -2.676 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -97.513193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.513193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.513193 (E_RNA) where: Base-Base interactions energy: -71.769 where: short stacking energy: -26.527 Base-Backbone interact. energy: -0.057 local terms energy: -25.686349 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.204 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -1.989 tors. eta vs tors. theta energy: -4.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -92.348034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.348034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.348034 (E_RNA) where: Base-Base interactions energy: -66.759 where: short stacking energy: -26.150 Base-Backbone interact. energy: -1.161 local terms energy: -24.427697 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -0.520 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: 3, replica: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -79.184340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.184340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.184340 (E_RNA) where: Base-Base interactions energy: -49.294 where: short stacking energy: -19.875 Base-Backbone interact. energy: -1.153 local terms energy: -28.738121 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.153 flat angles P-C4'-P energy: -3.894 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: 4, replica: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -49.937010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.937010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.937010 (E_RNA) where: Base-Base interactions energy: -24.664 where: short stacking energy: -10.134 Base-Backbone interact. energy: -0.338 local terms energy: -24.934466 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -5.633 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -2.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -47.130656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.130656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.130656 (E_RNA) where: Base-Base interactions energy: -21.809 where: short stacking energy: -21.809 Base-Backbone interact. energy: -0.085 local terms energy: -25.236305 where: bonds (distance) C4'-P energy: -6.754 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.171 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -2.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -54.143728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.143728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.143728 (E_RNA) where: Base-Base interactions energy: -26.426 where: short stacking energy: -26.426 Base-Backbone interact. energy: -0.000 local terms energy: -27.717317 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -5.597 tors. eta vs tors. theta energy: -7.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -43.329716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.329716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.329716 (E_RNA) where: Base-Base interactions energy: -24.001 where: short stacking energy: -13.980 Base-Backbone interact. energy: 0.760 local terms energy: -20.088185 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: 0.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -36.910104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.910104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.910104 (E_RNA) where: Base-Base interactions energy: -14.479 where: short stacking energy: -14.479 Base-Backbone interact. energy: -0.078 local terms energy: -22.352734 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -0.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -44.076162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.076162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.076162 (E_RNA) where: Base-Base interactions energy: -19.957 where: short stacking energy: -19.957 Base-Backbone interact. energy: -0.000 local terms energy: -24.119281 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -4.355 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -4.112 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: 7 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -47.733569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.733569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.733569 (E_RNA) where: Base-Base interactions energy: -22.681 where: short stacking energy: -22.681 Base-Backbone interact. energy: -0.002 local terms energy: -25.050532 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -4.805 flat angles C4'-P-C4' energy: -6.828 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -3.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -99.405229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.405229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.405229 (E_RNA) where: Base-Base interactions energy: -73.562 where: short stacking energy: -27.553 Base-Backbone interact. energy: -0.012 local terms energy: -25.830792 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: -1.428 tors. eta vs tors. theta energy: -3.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -95.386351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.386351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.386351 (E_RNA) where: Base-Base interactions energy: -74.014 where: short stacking energy: -27.578 Base-Backbone interact. energy: -0.002 local terms energy: -21.370891 where: bonds (distance) C4'-P energy: -3.207 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: 0.387 tors. eta vs tors. theta energy: -4.440 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: 3 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -81.022742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.022742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.022742 (E_RNA) where: Base-Base interactions energy: -59.680 where: short stacking energy: -19.990 Base-Backbone interact. energy: -0.236 local terms energy: -21.106802 where: bonds (distance) C4'-P energy: -4.375 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: 1.441 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: 4, replica: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -53.304002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.304002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.304002 (E_RNA) where: Base-Base interactions energy: -29.224 where: short stacking energy: -14.809 Base-Backbone interact. energy: -1.051 local terms energy: -23.028200 where: bonds (distance) C4'-P energy: -5.364 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -55.573160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.573160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.573160 (E_RNA) where: Base-Base interactions energy: -31.032 where: short stacking energy: -27.160 Base-Backbone interact. energy: -0.747 local terms energy: -23.794047 where: bonds (distance) C4'-P energy: -3.550 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -2.286 tors. eta vs tors. theta energy: -4.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -50.681782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.681782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.681782 (E_RNA) where: Base-Base interactions energy: -24.289 where: short stacking energy: -24.289 Base-Backbone interact. energy: -0.017 local terms energy: -26.375473 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -3.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -44.022686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.022686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.022686 (E_RNA) where: Base-Base interactions energy: -17.333 where: short stacking energy: -17.333 Base-Backbone interact. energy: -0.002 local terms energy: -26.687500 where: bonds (distance) C4'-P energy: -6.075 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -3.560 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: 356 Temperature: 1.250000 Total energy: -40.919164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.919164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.919164 (E_RNA) where: Base-Base interactions energy: -19.863 where: short stacking energy: -16.673 Base-Backbone interact. energy: -0.048 local terms energy: -21.007641 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -4.958 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -1.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -40.908278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.908278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.908278 (E_RNA) where: Base-Base interactions energy: -15.452 where: short stacking energy: -15.452 Base-Backbone interact. energy: 0.702 local terms energy: -26.157730 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -4.165 tors. eta vs tors. theta energy: -3.380 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: 9 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -57.441056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.441056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.441056 (E_RNA) where: Base-Base interactions energy: -35.832 where: short stacking energy: -13.138 Base-Backbone interact. energy: 0.051 local terms energy: -21.659909 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.022 flat angles C4'-P-C4' energy: -2.221 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: -2.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -97.119219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.119219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.119219 (E_RNA) where: Base-Base interactions energy: -75.174 where: short stacking energy: -29.646 Base-Backbone interact. energy: -0.006 local terms energy: -21.938596 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: 0.887 tors. eta vs tors. theta energy: -4.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -97.446466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.446466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.446466 (E_RNA) where: Base-Base interactions energy: -73.142 where: short stacking energy: -28.650 Base-Backbone interact. energy: -0.002 local terms energy: -24.302878 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -0.590 tors. eta vs tors. theta energy: -4.245 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: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -77.701159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.701159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.701159 (E_RNA) where: Base-Base interactions energy: -53.197 where: short stacking energy: -22.014 Base-Backbone interact. energy: -0.011 local terms energy: -24.493365 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -4.363 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -2.661 tors. eta vs tors. theta energy: -5.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -56.239068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.239068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.239068 (E_RNA) where: Base-Base interactions energy: -26.455 where: short stacking energy: -26.455 Base-Backbone interact. energy: -0.000 local terms energy: -29.784335 where: bonds (distance) C4'-P energy: -5.935 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -8.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -45.288492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.288492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.288492 (E_RNA) where: Base-Base interactions energy: -23.191 where: short stacking energy: -23.191 Base-Backbone interact. energy: -0.000 local terms energy: -22.097439 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -4.374 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -2.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -42.474061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.474061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.474061 (E_RNA) where: Base-Base interactions energy: -21.120 where: short stacking energy: -21.120 Base-Backbone interact. energy: -0.155 local terms energy: -21.198739 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.771 flat angles P-C4'-P energy: -2.250 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -49.887013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.887013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.887013 (E_RNA) where: Base-Base interactions energy: -25.595 where: short stacking energy: -25.595 Base-Backbone interact. energy: -0.000 local terms energy: -24.291912 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -3.797 flat angles P-C4'-P energy: -2.326 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: 8, replica: 10 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -68.190627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.190627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.190627 (E_RNA) where: Base-Base interactions energy: -43.200 where: short stacking energy: -15.133 Base-Backbone interact. energy: -0.031 local terms energy: -24.959381 where: bonds (distance) C4'-P energy: -4.386 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -4.983 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -5.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -40.723305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.723305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.723305 (E_RNA) where: Base-Base interactions energy: -20.016 where: short stacking energy: -13.635 Base-Backbone interact. energy: 2.120 local terms energy: -22.827332 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.630 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: 1.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -41.918515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.918515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.918515 (E_RNA) where: Base-Base interactions energy: -18.992 where: short stacking energy: -18.992 Base-Backbone interact. energy: -0.000 local terms energy: -22.926358 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -5.226 flat angles C4'-P-C4' energy: -5.051 flat angles P-C4'-P energy: -3.683 tors. eta vs tors. theta energy: -2.948 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: 1, replica: 1 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -94.828144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.828144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.828144 (E_RNA) where: Base-Base interactions energy: -70.730 where: short stacking energy: -28.751 Base-Backbone interact. energy: -0.008 local terms energy: -24.090758 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -0.976 tors. eta vs tors. theta energy: -4.516 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: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -95.026960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.026960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.026960 (E_RNA) where: Base-Base interactions energy: -68.744 where: short stacking energy: -29.029 Base-Backbone interact. energy: -0.088 local terms energy: -26.195056 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -3.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -89.575278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.575278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.575278 (E_RNA) where: Base-Base interactions energy: -66.598 where: short stacking energy: -26.962 Base-Backbone interact. energy: -0.009 local terms energy: -22.968292 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: 1.285 tors. eta vs tors. theta energy: -6.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -56.107008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.107008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.107008 (E_RNA) where: Base-Base interactions energy: -24.012 where: short stacking energy: -22.500 Base-Backbone interact. energy: -0.010 local terms energy: -32.084871 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.521 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -5.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -44.445847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.445847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.445847 (E_RNA) where: Base-Base interactions energy: -23.494 where: short stacking energy: -11.288 Base-Backbone interact. energy: 1.290 local terms energy: -22.241760 where: bonds (distance) C4'-P energy: -3.736 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.957 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -0.607 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: 8 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -50.677189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.677189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.677189 (E_RNA) where: Base-Base interactions energy: -22.831 where: short stacking energy: -22.831 Base-Backbone interact. energy: -0.010 local terms energy: -27.836555 where: bonds (distance) C4'-P energy: -3.587 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -4.160 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: 7, replica: 10 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -64.211407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.211407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.211407 (E_RNA) where: Base-Base interactions energy: -38.464 where: short stacking energy: -19.545 Base-Backbone interact. energy: -0.007 local terms energy: -25.740483 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -4.016 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -4.487 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: 8, replica: 6 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -65.913924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.913924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.913924 (E_RNA) where: Base-Base interactions energy: -40.293 where: short stacking energy: -14.525 Base-Backbone interact. energy: -0.712 local terms energy: -24.908904 where: bonds (distance) C4'-P energy: -4.883 bonds (distance) P-C4' energy: -4.927 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -5.504 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: 9, replica: 9 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -40.047079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.047079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.047079 (E_RNA) where: Base-Base interactions energy: -19.650 where: short stacking energy: -14.007 Base-Backbone interact. energy: -0.206 local terms energy: -20.191263 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -3.977 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -2.356 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: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -62.477376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.477376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.477376 (E_RNA) where: Base-Base interactions energy: -42.446 where: short stacking energy: -19.321 Base-Backbone interact. energy: -0.013 local terms energy: -20.018345 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -0.458 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -98.694618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.694618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.694618 (E_RNA) where: Base-Base interactions energy: -72.505 where: short stacking energy: -27.899 Base-Backbone interact. energy: -0.228 local terms energy: -25.962033 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -0.248 tors. eta vs tors. theta energy: -3.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -90.005555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.005555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.005555 (E_RNA) where: Base-Base interactions energy: -71.129 where: short stacking energy: -28.096 Base-Backbone interact. energy: -0.013 local terms energy: -18.863445 where: bonds (distance) C4'-P energy: -4.723 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: 2.222 tors. eta vs tors. theta energy: -4.498 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: 359 Temperature: 1.000000 Total energy: -95.744844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.744844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.744844 (E_RNA) where: Base-Base interactions energy: -67.807 where: short stacking energy: -21.941 Base-Backbone interact. energy: -0.097 local terms energy: -27.840958 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -2.719 tors. eta vs tors. theta energy: -5.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -48.735002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.735002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.735002 (E_RNA) where: Base-Base interactions energy: -23.952 where: short stacking energy: -23.952 Base-Backbone interact. energy: -0.000 local terms energy: -24.783011 where: bonds (distance) C4'-P energy: -2.681 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -3.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -69.546276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.546276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.546276 (E_RNA) where: Base-Base interactions energy: -45.776 where: short stacking energy: -22.451 Base-Backbone interact. energy: -0.000 local terms energy: -23.769774 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -3.906 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -3.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -52.270112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.270112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.270112 (E_RNA) where: Base-Base interactions energy: -31.295 where: short stacking energy: -10.395 Base-Backbone interact. energy: -0.052 local terms energy: -20.922964 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.389 flat angles P-C4'-P energy: -2.308 tors. eta vs tors. theta energy: -3.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -47.023310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.023310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.023310 (E_RNA) where: Base-Base interactions energy: -26.752 where: short stacking energy: -17.842 Base-Backbone interact. energy: -0.002 local terms energy: -20.269758 where: bonds (distance) C4'-P energy: -2.217 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -0.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -46.296070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.296070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.296070 (E_RNA) where: Base-Base interactions energy: -26.659 where: short stacking energy: -13.230 Base-Backbone interact. energy: -0.071 local terms energy: -19.566397 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -3.503 tors. eta vs tors. theta energy: 0.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -41.867517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.867517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.867517 (E_RNA) where: Base-Base interactions energy: -17.060 where: short stacking energy: -17.060 Base-Backbone interact. energy: -0.000 local terms energy: -24.807475 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -2.210 tors. eta vs tors. theta energy: -2.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -64.472230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.472230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.472230 (E_RNA) where: Base-Base interactions energy: -41.732 where: short stacking energy: -15.058 Base-Backbone interact. energy: -0.001 local terms energy: -22.739091 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -3.433 flat angles C4'-P-C4' energy: -4.620 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -93.458173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.458173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.458173 (E_RNA) where: Base-Base interactions energy: -71.691 where: short stacking energy: -27.150 Base-Backbone interact. energy: -0.026 local terms energy: -21.741068 where: bonds (distance) C4'-P energy: -5.757 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: 0.687 tors. eta vs tors. theta energy: -3.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -85.079335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.079335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.079335 (E_RNA) where: Base-Base interactions energy: -65.971 where: short stacking energy: -22.671 Base-Backbone interact. energy: -0.008 local terms energy: -19.100680 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: 3.299 tors. eta vs tors. theta energy: -3.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -51.740583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.740583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.740583 (E_RNA) where: Base-Base interactions energy: -27.991 where: short stacking energy: -27.991 Base-Backbone interact. energy: -0.002 local terms energy: -23.747605 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -3.014 tors. eta vs tors. theta energy: -2.769 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: 5 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -83.406548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.406548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.406548 (E_RNA) where: Base-Base interactions energy: -51.766 where: short stacking energy: -24.325 Base-Backbone interact. energy: -0.001 local terms energy: -31.639970 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -5.558 tors. eta vs tors. theta energy: -6.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -76.357627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.357627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.357627 (E_RNA) where: Base-Base interactions energy: -51.129 where: short stacking energy: -21.266 Base-Backbone interact. energy: -0.000 local terms energy: -25.228432 where: bonds (distance) C4'-P energy: -6.275 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -2.290 tors. eta vs tors. theta energy: -2.239 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: 360 Temperature: 1.150000 Total energy: -41.059597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.059597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.059597 (E_RNA) where: Base-Base interactions energy: -16.734 where: short stacking energy: -14.195 Base-Backbone interact. energy: -0.099 local terms energy: -24.227442 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: 0.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -45.861463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.861463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.861463 (E_RNA) where: Base-Base interactions energy: -20.291 where: short stacking energy: -20.291 Base-Backbone interact. energy: -0.001 local terms energy: -25.570022 where: bonds (distance) C4'-P energy: -4.130 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -45.409424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.409424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.409424 (E_RNA) where: Base-Base interactions energy: -19.584 where: short stacking energy: -19.584 Base-Backbone interact. energy: -0.008 local terms energy: -25.817311 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -3.415 tors. eta vs tors. theta energy: -2.164 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: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -49.900478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.900478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.900478 (E_RNA) where: Base-Base interactions energy: -24.738 where: short stacking energy: -16.437 Base-Backbone interact. energy: -0.019 local terms energy: -25.143423 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -3.193 tors. eta vs tors. theta energy: -2.963 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: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -43.395075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.395075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.395075 (E_RNA) where: Base-Base interactions energy: -16.852 where: short stacking energy: -16.852 Base-Backbone interact. energy: -0.046 local terms energy: -26.496876 where: bonds (distance) C4'-P energy: -4.775 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -3.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -98.482311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.482311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.482311 (E_RNA) where: Base-Base interactions energy: -70.783 where: short stacking energy: -28.352 Base-Backbone interact. energy: -0.103 local terms energy: -27.595970 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -2.382 tors. eta vs tors. theta energy: -5.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -86.470724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.470724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.470724 (E_RNA) where: Base-Base interactions energy: -63.928 where: short stacking energy: -20.882 Base-Backbone interact. energy: -0.002 local terms energy: -22.539962 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -5.185 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -4.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -53.346292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.346292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.346292 (E_RNA) where: Base-Base interactions energy: -28.958 where: short stacking energy: -28.958 Base-Backbone interact. energy: -0.100 local terms energy: -24.288839 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -2.489 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -4.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -84.531775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.531775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.531775 (E_RNA) where: Base-Base interactions energy: -60.031 where: short stacking energy: -20.327 Base-Backbone interact. energy: -0.004 local terms energy: -24.497493 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -1.752 tors. eta vs tors. theta energy: -3.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -48.909743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.909743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.909743 (E_RNA) where: Base-Base interactions energy: -21.073 where: short stacking energy: -21.073 Base-Backbone interact. energy: -0.000 local terms energy: -27.836832 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -6.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -51.901818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.901818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.901818 (E_RNA) where: Base-Base interactions energy: -31.104 where: short stacking energy: -18.898 Base-Backbone interact. energy: -0.003 local terms energy: -20.794544 where: bonds (distance) C4'-P energy: -3.392 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -1.425 tors. eta vs tors. theta energy: -3.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -49.249160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.249160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.249160 (E_RNA) where: Base-Base interactions energy: -21.582 where: short stacking energy: -19.439 Base-Backbone interact. energy: -0.372 local terms energy: -27.295865 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -1.333 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: 7 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -42.984851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.984851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.984851 (E_RNA) where: Base-Base interactions energy: -19.205 where: short stacking energy: -19.205 Base-Backbone interact. energy: -0.000 local terms energy: -23.780111 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -52.158350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.158350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.158350 (E_RNA) where: Base-Base interactions energy: -35.694 where: short stacking energy: -21.449 Base-Backbone interact. energy: -0.003 local terms energy: -16.461372 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -0.478 tors. eta vs tors. theta energy: -1.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -44.733414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.733414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.733414 (E_RNA) where: Base-Base interactions energy: -21.297 where: short stacking energy: -21.297 Base-Backbone interact. energy: -0.000 local terms energy: -23.435633 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -1.522 flat angles P-C4'-P energy: -4.881 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: 1, replica: 1 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -100.649950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.649950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.649950 (E_RNA) where: Base-Base interactions energy: -77.164 where: short stacking energy: -28.345 Base-Backbone interact. energy: -0.006 local terms energy: -23.479834 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -0.153 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: 2, replica: 3 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -80.946005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.946005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.946005 (E_RNA) where: Base-Base interactions energy: -53.104 where: short stacking energy: -20.433 Base-Backbone interact. energy: -0.000 local terms energy: -27.841576 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -2.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -84.693257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.693257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.693257 (E_RNA) where: Base-Base interactions energy: -55.882 where: short stacking energy: -24.922 Base-Backbone interact. energy: 0.454 local terms energy: -29.265566 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -3.166 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: 4, replica: 2 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -54.279972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.279972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.279972 (E_RNA) where: Base-Base interactions energy: -25.551 where: short stacking energy: -25.551 Base-Backbone interact. energy: -0.000 local terms energy: -28.729336 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -2.194 tors. eta vs tors. theta energy: -6.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -75.565125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.565125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.565125 (E_RNA) where: Base-Base interactions energy: -52.724 where: short stacking energy: -22.157 Base-Backbone interact. energy: -0.017 local terms energy: -22.824727 where: bonds (distance) C4'-P energy: -2.333 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -3.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -43.315498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.315498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.315498 (E_RNA) where: Base-Base interactions energy: -18.841 where: short stacking energy: -17.822 Base-Backbone interact. energy: -0.538 local terms energy: -23.936840 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -2.931 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -5.821 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: 7 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -50.179637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.179637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.179637 (E_RNA) where: Base-Base interactions energy: -23.883 where: short stacking energy: -23.883 Base-Backbone interact. energy: -0.000 local terms energy: -26.296875 where: bonds (distance) C4'-P energy: -5.371 bonds (distance) P-C4' energy: -6.005 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -5.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -41.773211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.773211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.773211 (E_RNA) where: Base-Base interactions energy: -18.324 where: short stacking energy: -18.193 Base-Backbone interact. energy: -0.001 local terms energy: -23.448030 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: 0.458 tors. eta vs tors. theta energy: -3.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -39.991968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.991968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.991968 (E_RNA) where: Base-Base interactions energy: -15.977 where: short stacking energy: -15.815 Base-Backbone interact. energy: -0.001 local terms energy: -24.014524 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -41.973719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.973719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.973719 (E_RNA) where: Base-Base interactions energy: -20.068 where: short stacking energy: -15.244 Base-Backbone interact. energy: -0.088 local terms energy: -21.818051 where: bonds (distance) C4'-P energy: -5.210 bonds (distance) P-C4' energy: -2.526 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -6.080 tors. eta vs tors. theta energy: -1.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -99.907963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.907963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.907963 (E_RNA) where: Base-Base interactions energy: -72.630 where: short stacking energy: -26.689 Base-Backbone interact. energy: -0.097 local terms energy: -27.181382 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -1.363 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -92.225079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.225079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.225079 (E_RNA) where: Base-Base interactions energy: -67.418 where: short stacking energy: -21.307 Base-Backbone interact. energy: -0.003 local terms energy: -24.804247 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -5.427 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -1.781 tors. eta vs tors. theta energy: -5.358 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: 3, replica: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -79.790319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.790319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.790319 (E_RNA) where: Base-Base interactions energy: -58.393 where: short stacking energy: -21.961 Base-Backbone interact. energy: -0.005 local terms energy: -21.392511 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -6.010 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -2.177 tors. eta vs tors. theta energy: -3.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -85.696541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.696541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.696541 (E_RNA) where: Base-Base interactions energy: -56.314 where: short stacking energy: -23.105 Base-Backbone interact. energy: -0.000 local terms energy: -29.382004 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -5.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -56.364736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.364736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.364736 (E_RNA) where: Base-Base interactions energy: -37.134 where: short stacking energy: -24.611 Base-Backbone interact. energy: -0.066 local terms energy: -19.164681 where: bonds (distance) C4'-P energy: -5.877 bonds (distance) P-C4' energy: -4.594 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -1.602 tors. eta vs tors. theta energy: -1.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -47.932522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.932522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.932522 (E_RNA) where: Base-Base interactions energy: -22.561 where: short stacking energy: -22.561 Base-Backbone interact. energy: -0.000 local terms energy: -25.371085 where: bonds (distance) C4'-P energy: -5.471 bonds (distance) P-C4' energy: -5.401 flat angles C4'-P-C4' energy: -7.468 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -2.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -47.142365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.142365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.142365 (E_RNA) where: Base-Base interactions energy: -21.689 where: short stacking energy: -21.689 Base-Backbone interact. energy: -0.000 local terms energy: -25.453297 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -4.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -48.623484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.623484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.623484 (E_RNA) where: Base-Base interactions energy: -20.621 where: short stacking energy: -15.061 Base-Backbone interact. energy: -0.001 local terms energy: -28.001551 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -5.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -39.493170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.493170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.493170 (E_RNA) where: Base-Base interactions energy: -22.839 where: short stacking energy: -12.393 Base-Backbone interact. energy: -0.086 local terms energy: -16.568783 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -3.400 flat angles P-C4'-P energy: -3.296 tors. eta vs tors. theta energy: -1.007 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: 8 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -41.557781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.557781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.557781 (E_RNA) where: Base-Base interactions energy: -16.204 where: short stacking energy: -15.439 Base-Backbone interact. energy: -0.005 local terms energy: -25.348800 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -1.090 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: 1 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -99.120163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.120163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.120163 (E_RNA) where: Base-Base interactions energy: -76.020 where: short stacking energy: -29.510 Base-Backbone interact. energy: -0.285 local terms energy: -22.815538 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -0.383 tors. eta vs tors. theta energy: -3.686 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: 5 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -79.764989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.764989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.764989 (E_RNA) where: Base-Base interactions energy: -51.491 where: short stacking energy: -20.412 Base-Backbone interact. energy: -0.164 local terms energy: -28.110899 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -3.845 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: 3, replica: 6 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -85.394842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.394842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.394842 (E_RNA) where: Base-Base interactions energy: -55.532 where: short stacking energy: -24.222 Base-Backbone interact. energy: -0.000 local terms energy: -29.862888 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -3.195 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: 4, replica: 3 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -79.548529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.548529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.548529 (E_RNA) where: Base-Base interactions energy: -58.991 where: short stacking energy: -25.637 Base-Backbone interact. energy: -0.004 local terms energy: -20.553540 where: bonds (distance) C4'-P energy: -4.722 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -1.698 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -47.390236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.390236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.390236 (E_RNA) where: Base-Base interactions energy: -25.760 where: short stacking energy: -18.889 Base-Backbone interact. energy: -0.002 local terms energy: -21.628068 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -2.302 tors. eta vs tors. theta energy: -1.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -52.290870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.290870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.290870 (E_RNA) where: Base-Base interactions energy: -24.581 where: short stacking energy: -24.581 Base-Backbone interact. energy: -0.000 local terms energy: -27.709451 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -6.320 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -4.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -52.570479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.570479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.570479 (E_RNA) where: Base-Base interactions energy: -26.851 where: short stacking energy: -26.851 Base-Backbone interact. energy: -0.000 local terms energy: -25.719506 where: bonds (distance) C4'-P energy: -4.785 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -6.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -45.963632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.963632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.963632 (E_RNA) where: Base-Base interactions energy: -19.703 where: short stacking energy: -19.703 Base-Backbone interact. energy: -0.000 local terms energy: -26.260416 where: bonds (distance) C4'-P energy: -5.641 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -2.455 tors. eta vs tors. theta energy: -5.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -43.001743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.001743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.001743 (E_RNA) where: Base-Base interactions energy: -23.244 where: short stacking energy: -10.358 Base-Backbone interact. energy: -0.008 local terms energy: -19.749200 where: bonds (distance) C4'-P energy: -5.963 bonds (distance) P-C4' energy: -5.427 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -2.347 tors. eta vs tors. theta energy: 0.308 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: 10, replica: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -36.488612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.488612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.488612 (E_RNA) where: Base-Base interactions energy: -12.033 where: short stacking energy: -12.743 Base-Backbone interact. energy: -0.025 local terms energy: -24.430231 where: bonds (distance) C4'-P energy: -6.071 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -1.814 tors. eta vs tors. theta energy: -3.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -93.155118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.155118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.155118 (E_RNA) where: Base-Base interactions energy: -71.152 where: short stacking energy: -25.342 Base-Backbone interact. energy: -0.011 local terms energy: -21.992034 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: 1.759 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: 2, replica: 5 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -77.378613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.378613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.378613 (E_RNA) where: Base-Base interactions energy: -49.707 where: short stacking energy: -23.202 Base-Backbone interact. energy: -0.002 local terms energy: -27.669814 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -3.231 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: 6 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -78.618264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.618264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.618264 (E_RNA) where: Base-Base interactions energy: -56.919 where: short stacking energy: -17.873 Base-Backbone interact. energy: -0.019 local terms energy: -21.679927 where: bonds (distance) C4'-P energy: -4.776 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -0.618 tors. eta vs tors. theta energy: -4.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -86.952687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.952687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.952687 (E_RNA) where: Base-Base interactions energy: -61.167 where: short stacking energy: -25.126 Base-Backbone interact. energy: -0.005 local terms energy: -25.781267 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -3.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -53.109244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.109244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.109244 (E_RNA) where: Base-Base interactions energy: -26.923 where: short stacking energy: -22.955 Base-Backbone interact. energy: -0.075 local terms energy: -26.110899 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -3.789 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -2.673 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: 9 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -50.492401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.492401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.492401 (E_RNA) where: Base-Base interactions energy: -27.444 where: short stacking energy: -25.383 Base-Backbone interact. energy: -0.006 local terms energy: -23.041823 where: bonds (distance) C4'-P energy: -4.680 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -1.523 tors. eta vs tors. theta energy: -4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -51.651423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.651423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.651423 (E_RNA) where: Base-Base interactions energy: -24.575 where: short stacking energy: -24.575 Base-Backbone interact. energy: -0.001 local terms energy: -27.075348 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -5.405 tors. eta vs tors. theta energy: -4.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -41.808770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.808770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.808770 (E_RNA) where: Base-Base interactions energy: -19.009 where: short stacking energy: -18.854 Base-Backbone interact. energy: -0.003 local terms energy: -22.796794 where: bonds (distance) C4'-P energy: -4.908 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: -1.194 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: 4 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -46.355942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.355942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.355942 (E_RNA) where: Base-Base interactions energy: -20.626 where: short stacking energy: -20.626 Base-Backbone interact. energy: -0.000 local terms energy: -25.729619 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -2.453 tors. eta vs tors. theta energy: -3.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -45.626978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.626978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.626978 (E_RNA) where: Base-Base interactions energy: -23.626 where: short stacking energy: -10.046 Base-Backbone interact. energy: -0.038 local terms energy: -21.963181 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -5.035 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -5.762 tors. eta vs tors. theta energy: 0.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -85.243942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.243942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.243942 (E_RNA) where: Base-Base interactions energy: -59.134 where: short stacking energy: -17.972 Base-Backbone interact. energy: -0.000 local terms energy: -26.109356 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -3.071 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: 2, replica: 1 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -92.682339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.682339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.682339 (E_RNA) where: Base-Base interactions energy: -67.873 where: short stacking energy: -27.623 Base-Backbone interact. energy: -0.067 local terms energy: -24.741920 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -1.003 tors. eta vs tors. theta energy: -4.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -83.442021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.442021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.442021 (E_RNA) where: Base-Base interactions energy: -57.493 where: short stacking energy: -21.491 Base-Backbone interact. energy: -0.001 local terms energy: -25.948707 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -2.794 tors. eta vs tors. theta energy: -3.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -88.202478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.202478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.202478 (E_RNA) where: Base-Base interactions energy: -64.674 where: short stacking energy: -26.325 Base-Backbone interact. energy: -0.513 local terms energy: -23.014697 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -0.236 tors. eta vs tors. theta energy: -4.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -51.002683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.002683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.002683 (E_RNA) where: Base-Base interactions energy: -29.153 where: short stacking energy: -13.956 Base-Backbone interact. energy: -0.053 local terms energy: -21.796604 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: 0.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -53.031182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.031182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.031182 (E_RNA) where: Base-Base interactions energy: -31.996 where: short stacking energy: -15.291 Base-Backbone interact. energy: -0.026 local terms energy: -21.009120 where: bonds (distance) C4'-P energy: -3.754 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -2.110 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: 2 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -46.333610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.333610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.333610 (E_RNA) where: Base-Base interactions energy: -21.347 where: short stacking energy: -16.860 Base-Backbone interact. energy: -0.373 local terms energy: -24.613718 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.454 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -2.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -39.183354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.183354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.183354 (E_RNA) where: Base-Base interactions energy: -14.635 where: short stacking energy: -14.363 Base-Backbone interact. energy: -0.314 local terms energy: -24.235223 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -1.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -42.960090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.960090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.960090 (E_RNA) where: Base-Base interactions energy: -12.799 where: short stacking energy: -12.799 Base-Backbone interact. energy: -0.047 local terms energy: -30.114327 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -5.300 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: 10, replica: 4 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -50.222464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.222464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.222464 (E_RNA) where: Base-Base interactions energy: -28.806 where: short stacking energy: -18.522 Base-Backbone interact. energy: -0.019 local terms energy: -21.397644 where: bonds (distance) C4'-P energy: -5.433 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -3.006 tors. eta vs tors. theta energy: -1.437 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: 5 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -83.434750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.434750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.434750 (E_RNA) where: Base-Base interactions energy: -55.932 where: short stacking energy: -24.401 Base-Backbone interact. energy: -0.003 local terms energy: -27.499985 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -5.152 flat angles C4'-P-C4' energy: -4.688 flat angles P-C4'-P energy: -4.887 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: 2, replica: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -92.214990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.214990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.214990 (E_RNA) where: Base-Base interactions energy: -68.639 where: short stacking energy: -24.084 Base-Backbone interact. energy: -0.012 local terms energy: -23.563290 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: 3.173 tors. eta vs tors. theta energy: -5.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -84.087009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.087009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.087009 (E_RNA) where: Base-Base interactions energy: -61.302 where: short stacking energy: -24.771 Base-Backbone interact. energy: 0.012 local terms energy: -22.797277 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -1.032 tors. eta vs tors. theta energy: -3.576 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: 4, replica: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -85.690429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.690429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.690429 (E_RNA) where: Base-Base interactions energy: -58.743 where: short stacking energy: -21.067 Base-Backbone interact. energy: -0.002 local terms energy: -26.945446 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -6.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -45.281071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.281071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.281071 (E_RNA) where: Base-Base interactions energy: -20.263 where: short stacking energy: -20.263 Base-Backbone interact. energy: -0.114 local terms energy: -24.903894 where: bonds (distance) C4'-P energy: -3.791 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -2.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -47.429575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.429575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.429575 (E_RNA) where: Base-Base interactions energy: -23.257 where: short stacking energy: -15.757 Base-Backbone interact. energy: -0.093 local terms energy: -24.079750 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: -2.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -52.923606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.923606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.923606 (E_RNA) where: Base-Base interactions energy: -25.384 where: short stacking energy: -25.384 Base-Backbone interact. energy: -0.001 local terms energy: -27.539392 where: bonds (distance) C4'-P energy: -7.342 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -2.585 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -5.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -49.542264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.542264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.542264 (E_RNA) where: Base-Base interactions energy: -21.332 where: short stacking energy: -21.332 Base-Backbone interact. energy: -0.040 local terms energy: -28.170541 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -5.453 tors. eta vs tors. theta energy: -4.891 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: 10 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -54.040857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.040857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.040857 (E_RNA) where: Base-Base interactions energy: -30.507 where: short stacking energy: -16.874 Base-Backbone interact. energy: -0.001 local terms energy: -23.531928 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -1.918 tors. eta vs tors. theta energy: -2.283 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: 10, replica: 4 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -43.723949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.723949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.723949 (E_RNA) where: Base-Base interactions energy: -21.725 where: short stacking energy: -21.725 Base-Backbone interact. energy: -0.005 local terms energy: -21.993555 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -2.581 flat angles P-C4'-P energy: -1.615 tors. eta vs tors. theta energy: -6.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -90.278204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.278204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.278204 (E_RNA) where: Base-Base interactions energy: -67.906 where: short stacking energy: -24.214 Base-Backbone interact. energy: -0.000 local terms energy: -22.371755 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -2.607 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -1.964 tors. eta vs tors. theta energy: -5.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -82.583672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.583672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.583672 (E_RNA) where: Base-Base interactions energy: -55.124 where: short stacking energy: -23.677 Base-Backbone interact. energy: -0.051 local terms energy: -27.409259 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -6.649 flat angles P-C4'-P energy: -3.142 tors. eta vs tors. theta energy: -4.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -83.407577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.407577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.407577 (E_RNA) where: Base-Base interactions energy: -56.401 where: short stacking energy: -22.098 Base-Backbone interact. energy: -0.000 local terms energy: -27.006512 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -3.652 flat angles P-C4'-P energy: -2.463 tors. eta vs tors. theta energy: -6.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -81.326769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.326769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.326769 (E_RNA) where: Base-Base interactions energy: -59.323 where: short stacking energy: -23.754 Base-Backbone interact. energy: -0.015 local terms energy: -21.988144 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -0.852 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -43.669585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.669585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.669585 (E_RNA) where: Base-Base interactions energy: -17.902 where: short stacking energy: -17.902 Base-Backbone interact. energy: -0.018 local terms energy: -25.749418 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -2.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -55.620894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.620894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.620894 (E_RNA) where: Base-Base interactions energy: -31.519 where: short stacking energy: -15.529 Base-Backbone interact. energy: 0.008 local terms energy: -24.109712 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -1.548 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: 8 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -46.101352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.101352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.101352 (E_RNA) where: Base-Base interactions energy: -26.693 where: short stacking energy: -21.805 Base-Backbone interact. energy: -0.007 local terms energy: -19.400670 where: bonds (distance) C4'-P energy: -1.563 bonds (distance) P-C4' energy: -2.633 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -4.832 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -59.553585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.553585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.553585 (E_RNA) where: Base-Base interactions energy: -26.145 where: short stacking energy: -26.145 Base-Backbone interact. energy: -0.000 local terms energy: -33.408545 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -8.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -45.296114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.296114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.296114 (E_RNA) where: Base-Base interactions energy: -18.536 where: short stacking energy: -18.536 Base-Backbone interact. energy: -0.043 local terms energy: -26.717006 where: bonds (distance) C4'-P energy: -4.845 bonds (distance) P-C4' energy: -5.284 flat angles C4'-P-C4' energy: -7.556 flat angles P-C4'-P energy: -2.511 tors. eta vs tors. theta energy: -6.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -43.855995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.855995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.855995 (E_RNA) where: Base-Base interactions energy: -21.028 where: short stacking energy: -21.028 Base-Backbone interact. energy: -0.000 local terms energy: -22.827538 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: 0.283 tors. eta vs tors. theta energy: -4.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -89.922324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.922324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.922324 (E_RNA) where: Base-Base interactions energy: -61.726 where: short stacking energy: -25.140 Base-Backbone interact. energy: -0.009 local terms energy: -28.186902 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -3.316 tors. eta vs tors. theta energy: -6.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -83.365833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.365833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.365833 (E_RNA) where: Base-Base interactions energy: -58.551 where: short stacking energy: -21.819 Base-Backbone interact. energy: -0.009 local terms energy: -24.806183 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: 0.763 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: 3, replica: 5 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -89.108478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.108478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.108478 (E_RNA) where: Base-Base interactions energy: -69.766 where: short stacking energy: -25.085 Base-Backbone interact. energy: -0.001 local terms energy: -19.341295 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: 1.266 tors. eta vs tors. theta energy: -3.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -89.058705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.058705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.058705 (E_RNA) where: Base-Base interactions energy: -66.067 where: short stacking energy: -24.905 Base-Backbone interact. energy: -0.006 local terms energy: -22.986262 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: 1.888 tors. eta vs tors. theta energy: -4.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -57.449740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.449740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.449740 (E_RNA) where: Base-Base interactions energy: -27.831 where: short stacking energy: -27.831 Base-Backbone interact. energy: -0.000 local terms energy: -29.618882 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -6.167 tors. eta vs tors. theta energy: -6.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -36.464399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.464399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.464399 (E_RNA) where: Base-Base interactions energy: -14.968 where: short stacking energy: -14.968 Base-Backbone interact. energy: -0.153 local terms energy: -21.343634 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -1.879 tors. eta vs tors. theta energy: -1.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -52.286112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.286112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.286112 (E_RNA) where: Base-Base interactions energy: -22.933 where: short stacking energy: -22.933 Base-Backbone interact. energy: -0.031 local terms energy: -29.322177 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -4.232 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: 8, replica: 4 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -42.002943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.002943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.002943 (E_RNA) where: Base-Base interactions energy: -16.922 where: short stacking energy: -16.922 Base-Backbone interact. energy: -0.000 local terms energy: -25.081335 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -4.756 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -2.386 tors. eta vs tors. theta energy: -5.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -40.463981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.463981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.463981 (E_RNA) where: Base-Base interactions energy: -23.783 where: short stacking energy: -23.783 Base-Backbone interact. energy: -0.011 local terms energy: -16.670181 where: bonds (distance) C4'-P energy: 0.221 bonds (distance) P-C4' energy: -1.253 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -3.886 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: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -46.007815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.007815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.007815 (E_RNA) where: Base-Base interactions energy: -19.989 where: short stacking energy: -19.989 Base-Backbone interact. energy: -0.066 local terms energy: -25.952672 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -5.823 flat angles C4'-P-C4' energy: -3.826 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -4.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -84.415239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.415239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.415239 (E_RNA) where: Base-Base interactions energy: -55.108 where: short stacking energy: -19.318 Base-Backbone interact. energy: -0.001 local terms energy: -29.306110 where: bonds (distance) C4'-P energy: -4.937 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -6.048 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: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -79.825994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.825994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.825994 (E_RNA) where: Base-Base interactions energy: -49.775 where: short stacking energy: -19.659 Base-Backbone interact. energy: -0.006 local terms energy: -30.045365 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -5.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -90.523573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.523573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.523573 (E_RNA) where: Base-Base interactions energy: -68.750 where: short stacking energy: -27.367 Base-Backbone interact. energy: -0.101 local terms energy: -21.672259 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -5.744 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: 1.572 tors. eta vs tors. theta energy: -5.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -94.980533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.980533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.980533 (E_RNA) where: Base-Base interactions energy: -70.839 where: short stacking energy: -27.329 Base-Backbone interact. energy: -0.089 local terms energy: -24.052305 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: 0.883 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -51.053232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.053232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.053232 (E_RNA) where: Base-Base interactions energy: -26.068 where: short stacking energy: -26.049 Base-Backbone interact. energy: 0.370 local terms energy: -25.354733 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -5.158 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -1.712 tors. eta vs tors. theta energy: -5.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -51.899616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.899616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.899616 (E_RNA) where: Base-Base interactions energy: -25.769 where: short stacking energy: -25.769 Base-Backbone interact. energy: -0.000 local terms energy: -26.130725 where: bonds (distance) C4'-P energy: -3.969 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -1.978 tors. eta vs tors. theta energy: -7.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -47.342610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.342610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.342610 (E_RNA) where: Base-Base interactions energy: -20.783 where: short stacking energy: -20.783 Base-Backbone interact. energy: -0.043 local terms energy: -26.516782 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -5.150 tors. eta vs tors. theta energy: -3.308 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: 4 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -48.427327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.427327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.427327 (E_RNA) where: Base-Base interactions energy: -20.943 where: short stacking energy: -20.943 Base-Backbone interact. energy: -0.079 local terms energy: -27.405423 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: -4.498 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: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -38.992070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.992070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.992070 (E_RNA) where: Base-Base interactions energy: -16.853 where: short stacking energy: -16.853 Base-Backbone interact. energy: -0.000 local terms energy: -22.138596 where: bonds (distance) C4'-P energy: -3.112 bonds (distance) P-C4' energy: -6.106 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -1.964 tors. eta vs tors. theta energy: -4.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -38.339219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.339219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.339219 (E_RNA) where: Base-Base interactions energy: -16.004 where: short stacking energy: -12.427 Base-Backbone interact. energy: -0.063 local terms energy: -22.272367 where: bonds (distance) C4'-P energy: -3.408 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -5.214 tors. eta vs tors. theta energy: -2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -84.515935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.515935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.515935 (E_RNA) where: Base-Base interactions energy: -56.302 where: short stacking energy: -25.295 Base-Backbone interact. energy: -0.001 local terms energy: -28.212941 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -4.725 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: 2, replica: 3 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -91.635193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.635193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.635193 (E_RNA) where: Base-Base interactions energy: -63.579 where: short stacking energy: -22.117 Base-Backbone interact. energy: -0.009 local terms energy: -28.047070 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.699 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -6.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -84.964258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.964258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.964258 (E_RNA) where: Base-Base interactions energy: -57.830 where: short stacking energy: -17.900 Base-Backbone interact. energy: -0.002 local terms energy: -27.132978 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -2.044 tors. eta vs tors. theta energy: -6.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -93.831258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.831258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.831258 (E_RNA) where: Base-Base interactions energy: -69.801 where: short stacking energy: -27.077 Base-Backbone interact. energy: -0.346 local terms energy: -23.684237 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.569 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: 0.709 tors. eta vs tors. theta energy: -4.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -52.917102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.917102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.917102 (E_RNA) where: Base-Base interactions energy: -26.877 where: short stacking energy: -26.877 Base-Backbone interact. energy: -0.007 local terms energy: -26.032801 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.814 flat angles C4'-P-C4' energy: -3.596 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -4.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -46.757227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.757227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.757227 (E_RNA) where: Base-Base interactions energy: -19.974 where: short stacking energy: -19.974 Base-Backbone interact. energy: -0.000 local terms energy: -26.782579 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -3.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -58.818162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.818162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.818162 (E_RNA) where: Base-Base interactions energy: -36.047 where: short stacking energy: -25.477 Base-Backbone interact. energy: -0.000 local terms energy: -22.771277 where: bonds (distance) C4'-P energy: -4.130 bonds (distance) P-C4' energy: -4.219 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -3.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -41.453081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.453081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.453081 (E_RNA) where: Base-Base interactions energy: -19.468 where: short stacking energy: -19.468 Base-Backbone interact. energy: -0.000 local terms energy: -21.984980 where: bonds (distance) C4'-P energy: -5.566 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -1.693 flat angles P-C4'-P energy: -1.868 tors. eta vs tors. theta energy: -6.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -47.373843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.373843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.373843 (E_RNA) where: Base-Base interactions energy: -25.301 where: short stacking energy: -15.828 Base-Backbone interact. energy: 0.506 local terms energy: -22.578775 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -4.764 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -2.189 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: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -39.642373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.642373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.642373 (E_RNA) where: Base-Base interactions energy: -19.508 where: short stacking energy: -19.508 Base-Backbone interact. energy: -0.005 local terms energy: -20.129527 where: bonds (distance) C4'-P energy: -4.730 bonds (distance) P-C4' energy: -5.590 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -1.173 tors. eta vs tors. theta energy: -2.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -91.902593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.902593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.902593 (E_RNA) where: Base-Base interactions energy: -66.383 where: short stacking energy: -21.522 Base-Backbone interact. energy: -0.003 local terms energy: -25.516148 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -2.967 flat angles P-C4'-P energy: -1.729 tors. eta vs tors. theta energy: -6.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -80.165664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.165664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.165664 (E_RNA) where: Base-Base interactions energy: -49.596 where: short stacking energy: -21.151 Base-Backbone interact. energy: -0.023 local terms energy: -30.546672 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -5.351 tors. eta vs tors. theta energy: -5.639 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: 5 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -78.960140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.960140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.960140 (E_RNA) where: Base-Base interactions energy: -51.829 where: short stacking energy: -23.331 Base-Backbone interact. energy: 0.132 local terms energy: -27.263218 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -5.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -84.882596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.882596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.882596 (E_RNA) where: Base-Base interactions energy: -63.128 where: short stacking energy: -23.788 Base-Backbone interact. energy: -0.026 local terms energy: -21.727904 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -4.952 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -0.655 tors. eta vs tors. theta energy: -5.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -40.041888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.041888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.041888 (E_RNA) where: Base-Base interactions energy: -17.195 where: short stacking energy: -13.925 Base-Backbone interact. energy: -0.056 local terms energy: -22.790128 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -4.927 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: -1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -38.246760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.246760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.246760 (E_RNA) where: Base-Base interactions energy: -19.396 where: short stacking energy: -18.754 Base-Backbone interact. energy: -0.049 local terms energy: -18.801662 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -2.135 tors. eta vs tors. theta energy: -0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -68.378178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.378178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.378178 (E_RNA) where: Base-Base interactions energy: -51.050 where: short stacking energy: -20.019 Base-Backbone interact. energy: -0.000 local terms energy: -17.327835 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -6.216 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -0.446 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -38.878918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.878918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.878918 (E_RNA) where: Base-Base interactions energy: -13.096 where: short stacking energy: -13.096 Base-Backbone interact. energy: -0.078 local terms energy: -25.705024 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.847 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: 0.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -47.949358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.949358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.949358 (E_RNA) where: Base-Base interactions energy: -23.494 where: short stacking energy: -14.548 Base-Backbone interact. energy: -0.030 local terms energy: -24.425999 where: bonds (distance) C4'-P energy: -5.579 bonds (distance) P-C4' energy: -5.980 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -5.826 tors. eta vs tors. theta energy: -2.314 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: 10, replica: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -40.995842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.995842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.995842 (E_RNA) where: Base-Base interactions energy: -16.883 where: short stacking energy: -16.883 Base-Backbone interact. energy: -0.073 local terms energy: -24.039536 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: -1.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -85.073406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.073406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.073406 (E_RNA) where: Base-Base interactions energy: -58.571 where: short stacking energy: -22.972 Base-Backbone interact. energy: -0.060 local terms energy: -26.441782 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.265 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -1.487 tors. eta vs tors. theta energy: -4.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -84.887158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.887158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.887158 (E_RNA) where: Base-Base interactions energy: -59.754 where: short stacking energy: -20.486 Base-Backbone interact. energy: -0.012 local terms energy: -25.121364 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -2.106 tors. eta vs tors. theta energy: -7.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -83.445353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.445353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.445353 (E_RNA) where: Base-Base interactions energy: -57.840 where: short stacking energy: -20.571 Base-Backbone interact. energy: -0.000 local terms energy: -25.605461 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -1.404 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -78.294363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.294363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.294363 (E_RNA) where: Base-Base interactions energy: -51.361 where: short stacking energy: -19.946 Base-Backbone interact. energy: -0.010 local terms energy: -26.922849 where: bonds (distance) C4'-P energy: -4.730 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -3.457 tors. eta vs tors. theta energy: -5.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -63.360568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.360568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.360568 (E_RNA) where: Base-Base interactions energy: -38.726 where: short stacking energy: -18.147 Base-Backbone interact. energy: -0.010 local terms energy: -24.623751 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.388 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -72.904300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.904300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.904300 (E_RNA) where: Base-Base interactions energy: -48.240 where: short stacking energy: -17.674 Base-Backbone interact. energy: -0.008 local terms energy: -24.657009 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.484 flat angles P-C4'-P energy: -1.524 tors. eta vs tors. theta energy: -1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -44.230294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.230294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.230294 (E_RNA) where: Base-Base interactions energy: -21.288 where: short stacking energy: -21.288 Base-Backbone interact. energy: -0.001 local terms energy: -22.942249 where: bonds (distance) C4'-P energy: -5.111 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -1.631 tors. eta vs tors. theta energy: -4.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -51.963598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.963598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.963598 (E_RNA) where: Base-Base interactions energy: -28.631 where: short stacking energy: -21.612 Base-Backbone interact. energy: -0.064 local terms energy: -23.267994 where: bonds (distance) C4'-P energy: -4.348 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -3.967 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -4.566 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: 10 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -40.660287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.660287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.660287 (E_RNA) where: Base-Base interactions energy: -18.831 where: short stacking energy: -14.199 Base-Backbone interact. energy: -0.970 local terms energy: -20.859343 where: bonds (distance) C4'-P energy: -4.723 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -40.638269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.638269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.638269 (E_RNA) where: Base-Base interactions energy: -18.528 where: short stacking energy: -18.528 Base-Backbone interact. energy: -0.052 local terms energy: -22.057989 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: 0.164 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: 374 Temperature: 0.900000 Total energy: -88.544474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.544474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.544474 (E_RNA) where: Base-Base interactions energy: -65.310 where: short stacking energy: -26.408 Base-Backbone interact. energy: -0.005 local terms energy: -23.230187 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: 0.205 tors. eta vs tors. theta energy: -4.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -85.957753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.957753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.957753 (E_RNA) where: Base-Base interactions energy: -59.979 where: short stacking energy: -20.483 Base-Backbone interact. energy: -0.003 local terms energy: -25.975644 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.410 flat angles P-C4'-P energy: -0.603 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -83.851547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.851547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.851547 (E_RNA) where: Base-Base interactions energy: -63.007 where: short stacking energy: -23.604 Base-Backbone interact. energy: -0.010 local terms energy: -20.833862 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -3.947 flat angles P-C4'-P energy: -0.559 tors. eta vs tors. theta energy: -4.343 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: 4, replica: 6 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -78.801366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.801366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.801366 (E_RNA) where: Base-Base interactions energy: -50.312 where: short stacking energy: -25.387 Base-Backbone interact. energy: -0.027 local terms energy: -28.462003 where: bonds (distance) C4'-P energy: -4.365 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.971 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -4.525 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: 5, replica: 7 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -84.249584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.249584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.249584 (E_RNA) where: Base-Base interactions energy: -58.123 where: short stacking energy: -24.651 Base-Backbone interact. energy: -0.002 local terms energy: -26.124277 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -3.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -46.538424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.538424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.538424 (E_RNA) where: Base-Base interactions energy: -25.436 where: short stacking energy: -25.436 Base-Backbone interact. energy: -0.021 local terms energy: -21.081405 where: bonds (distance) C4'-P energy: -3.592 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -2.970 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -42.766290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.766290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.766290 (E_RNA) where: Base-Base interactions energy: -16.661 where: short stacking energy: -16.661 Base-Backbone interact. energy: -0.001 local terms energy: -26.103995 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -5.377 tors. eta vs tors. theta energy: -3.093 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: 2 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -40.081428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.081428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.081428 (E_RNA) where: Base-Base interactions energy: -15.635 where: short stacking energy: -12.783 Base-Backbone interact. energy: -0.024 local terms energy: -24.422794 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -1.118 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: 4 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -41.320197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.320197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.320197 (E_RNA) where: Base-Base interactions energy: -16.246 where: short stacking energy: -16.246 Base-Backbone interact. energy: -0.001 local terms energy: -25.073651 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -3.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -43.443636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.443636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.443636 (E_RNA) where: Base-Base interactions energy: -15.475 where: short stacking energy: -15.475 Base-Backbone interact. energy: -0.001 local terms energy: -27.967043 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -3.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -88.985641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.985641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.985641 (E_RNA) where: Base-Base interactions energy: -63.404 where: short stacking energy: -23.851 Base-Backbone interact. energy: -0.002 local terms energy: -25.579811 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -2.221 tors. eta vs tors. theta energy: -2.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -85.946293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.946293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.946293 (E_RNA) where: Base-Base interactions energy: -66.880 where: short stacking energy: -23.039 Base-Backbone interact. energy: -0.000 local terms energy: -19.066130 where: bonds (distance) C4'-P energy: -2.404 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: 2.339 tors. eta vs tors. theta energy: -7.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -88.957213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.957213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.957213 (E_RNA) where: Base-Base interactions energy: -62.392 where: short stacking energy: -21.799 Base-Backbone interact. energy: -0.001 local terms energy: -26.564753 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -1.714 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: 4, replica: 7 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -82.606769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.606769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.606769 (E_RNA) where: Base-Base interactions energy: -62.595 where: short stacking energy: -26.464 Base-Backbone interact. energy: -1.061 local terms energy: -18.950144 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -4.132 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -1.485 tors. eta vs tors. theta energy: -4.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -85.319217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.319217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.319217 (E_RNA) where: Base-Base interactions energy: -61.474 where: short stacking energy: -22.786 Base-Backbone interact. energy: -0.003 local terms energy: -23.842233 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.011 flat angles P-C4'-P energy: -2.861 tors. eta vs tors. theta energy: -5.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -49.327163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.327163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.327163 (E_RNA) where: Base-Base interactions energy: -26.580 where: short stacking energy: -26.580 Base-Backbone interact. energy: -0.000 local terms energy: -22.746943 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -3.432 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -4.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -46.251283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.251283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.251283 (E_RNA) where: Base-Base interactions energy: -22.312 where: short stacking energy: -22.312 Base-Backbone interact. energy: -0.000 local terms energy: -23.938898 where: bonds (distance) C4'-P energy: -5.222 bonds (distance) P-C4' energy: -5.053 flat angles C4'-P-C4' energy: -6.878 flat angles P-C4'-P energy: -1.136 tors. eta vs tors. theta energy: -5.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -45.897664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.897664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.897664 (E_RNA) where: Base-Base interactions energy: -24.319 where: short stacking energy: -24.319 Base-Backbone interact. energy: -0.097 local terms energy: -21.480976 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -3.139 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -3.321 tors. eta vs tors. theta energy: -1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -38.619807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.619807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.619807 (E_RNA) where: Base-Base interactions energy: -14.100 where: short stacking energy: -13.003 Base-Backbone interact. energy: -0.122 local terms energy: -24.397881 where: bonds (distance) C4'-P energy: -4.791 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -5.490 tors. eta vs tors. theta energy: -1.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -41.062425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.062425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.062425 (E_RNA) where: Base-Base interactions energy: -20.310 where: short stacking energy: -20.310 Base-Backbone interact. energy: -0.000 local terms energy: -20.751846 where: bonds (distance) C4'-P energy: -2.990 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -3.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -87.405050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.405050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.405050 (E_RNA) where: Base-Base interactions energy: -64.195 where: short stacking energy: -22.251 Base-Backbone interact. energy: -0.075 local terms energy: -23.135041 where: bonds (distance) C4'-P energy: -5.178 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -2.074 tors. eta vs tors. theta energy: -5.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -85.151744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.151744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.151744 (E_RNA) where: Base-Base interactions energy: -61.601 where: short stacking energy: -24.587 Base-Backbone interact. energy: -0.101 local terms energy: -23.450333 where: bonds (distance) C4'-P energy: -5.169 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -1.264 tors. eta vs tors. theta energy: -4.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -81.251059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.251059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.251059 (E_RNA) where: Base-Base interactions energy: -56.457 where: short stacking energy: -16.616 Base-Backbone interact. energy: -0.000 local terms energy: -24.793747 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -0.257 tors. eta vs tors. theta energy: -4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -88.754652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.754652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.754652 (E_RNA) where: Base-Base interactions energy: -65.595 where: short stacking energy: -21.986 Base-Backbone interact. energy: -0.008 local terms energy: -23.151773 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: 1.897 tors. eta vs tors. theta energy: -5.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -86.440949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.440949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.440949 (E_RNA) where: Base-Base interactions energy: -60.856 where: short stacking energy: -22.431 Base-Backbone interact. energy: -0.002 local terms energy: -25.582459 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -2.086 tors. eta vs tors. theta energy: -6.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -51.864180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.864180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.864180 (E_RNA) where: Base-Base interactions energy: -23.885 where: short stacking energy: -23.885 Base-Backbone interact. energy: -0.000 local terms energy: -27.979079 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -5.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -47.946206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.946206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.946206 (E_RNA) where: Base-Base interactions energy: -22.728 where: short stacking energy: -22.728 Base-Backbone interact. energy: -0.000 local terms energy: -25.218232 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: -2.078 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: 8 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -35.125916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.125916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.125916 (E_RNA) where: Base-Base interactions energy: -15.644 where: short stacking energy: -15.644 Base-Backbone interact. energy: -0.064 local terms energy: -19.417322 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -0.120 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -36.486516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.486516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.486516 (E_RNA) where: Base-Base interactions energy: -13.777 where: short stacking energy: -8.677 Base-Backbone interact. energy: -0.121 local terms energy: -22.588639 where: bonds (distance) C4'-P energy: -4.014 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -37.591602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.591602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.591602 (E_RNA) where: Base-Base interactions energy: -11.784 where: short stacking energy: -11.784 Base-Backbone interact. energy: -0.001 local terms energy: -25.806797 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.717 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -4.188 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: 1, replica: 5 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -82.064572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.064572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.064572 (E_RNA) where: Base-Base interactions energy: -57.254 where: short stacking energy: -20.789 Base-Backbone interact. energy: -0.096 local terms energy: -24.713902 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -2.783 tors. eta vs tors. theta energy: -4.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -81.762494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.762494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.762494 (E_RNA) where: Base-Base interactions energy: -52.626 where: short stacking energy: -21.843 Base-Backbone interact. energy: -0.006 local terms energy: -29.130758 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: -4.568 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: 3, replica: 1 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -85.592247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.592247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.592247 (E_RNA) where: Base-Base interactions energy: -63.018 where: short stacking energy: -24.728 Base-Backbone interact. energy: -0.000 local terms energy: -22.574140 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -4.827 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -0.876 tors. eta vs tors. theta energy: -5.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -88.496752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.496752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.496752 (E_RNA) where: Base-Base interactions energy: -64.858 where: short stacking energy: -24.939 Base-Backbone interact. energy: -0.365 local terms energy: -23.274304 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -4.937 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -0.148 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -85.048206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.048206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.048206 (E_RNA) where: Base-Base interactions energy: -66.923 where: short stacking energy: -24.313 Base-Backbone interact. energy: -0.020 local terms energy: -18.105048 where: bonds (distance) C4'-P energy: -5.263 bonds (distance) P-C4' energy: -5.713 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: 2.090 tors. eta vs tors. theta energy: -4.767 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: 6, replica: 4 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -50.327927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.327927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.327927 (E_RNA) where: Base-Base interactions energy: -23.270 where: short stacking energy: -23.270 Base-Backbone interact. energy: -0.000 local terms energy: -27.057497 where: bonds (distance) C4'-P energy: -4.478 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -7.089 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -4.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -43.359457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.359457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.359457 (E_RNA) where: Base-Base interactions energy: -20.523 where: short stacking energy: -20.523 Base-Backbone interact. energy: -0.080 local terms energy: -22.756114 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -4.275 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: 8, replica: 10 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -50.848447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.848447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.848447 (E_RNA) where: Base-Base interactions energy: -22.097 where: short stacking energy: -22.097 Base-Backbone interact. energy: -0.000 local terms energy: -28.751144 where: bonds (distance) C4'-P energy: -5.566 bonds (distance) P-C4' energy: -6.451 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -5.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -43.329604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.329604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.329604 (E_RNA) where: Base-Base interactions energy: -23.553 where: short stacking energy: -12.713 Base-Backbone interact. energy: -0.009 local terms energy: -19.767983 where: bonds (distance) C4'-P energy: -2.585 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -3.408 tors. eta vs tors. theta energy: -0.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -40.516510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.516510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.516510 (E_RNA) where: Base-Base interactions energy: -19.807 where: short stacking energy: -19.807 Base-Backbone interact. energy: -0.107 local terms energy: -20.602337 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -3.225 flat angles P-C4'-P energy: -2.196 tors. eta vs tors. theta energy: -1.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -84.063471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.063471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.063471 (E_RNA) where: Base-Base interactions energy: -54.179 where: short stacking energy: -22.995 Base-Backbone interact. energy: -0.004 local terms energy: -29.880797 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: -3.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -81.532097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.532097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.532097 (E_RNA) where: Base-Base interactions energy: -52.101 where: short stacking energy: -21.011 Base-Backbone interact. energy: -0.223 local terms energy: -29.208638 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -1.540 tors. eta vs tors. theta energy: -5.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -84.918039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.918039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.918039 (E_RNA) where: Base-Base interactions energy: -63.860 where: short stacking energy: -22.482 Base-Backbone interact. energy: -0.006 local terms energy: -21.052662 where: bonds (distance) C4'-P energy: -3.193 bonds (distance) P-C4' energy: -4.703 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -2.221 tors. eta vs tors. theta energy: -6.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -83.609163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.609163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.609163 (E_RNA) where: Base-Base interactions energy: -56.187 where: short stacking energy: -25.821 Base-Backbone interact. energy: -0.000 local terms energy: -27.422566 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -4.714 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -81.929598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.929598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.929598 (E_RNA) where: Base-Base interactions energy: -65.402 where: short stacking energy: -27.180 Base-Backbone interact. energy: -0.008 local terms energy: -16.519167 where: bonds (distance) C4'-P energy: -3.550 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: 2.518 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -50.792592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.792592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.792592 (E_RNA) where: Base-Base interactions energy: -23.640 where: short stacking energy: -23.640 Base-Backbone interact. energy: -0.000 local terms energy: -27.152831 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -4.829 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -6.563 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: 7, replica: 9 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -47.636892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.636892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.636892 (E_RNA) where: Base-Base interactions energy: -20.698 where: short stacking energy: -20.698 Base-Backbone interact. energy: -0.005 local terms energy: -26.933885 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -4.939 tors. eta vs tors. theta energy: -4.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -46.964986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.964986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.964986 (E_RNA) where: Base-Base interactions energy: -18.068 where: short stacking energy: -18.068 Base-Backbone interact. energy: -0.000 local terms energy: -28.896698 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -4.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -42.722143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.722143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.722143 (E_RNA) where: Base-Base interactions energy: -20.360 where: short stacking energy: -20.360 Base-Backbone interact. energy: -0.000 local terms energy: -22.362041 where: bonds (distance) C4'-P energy: -5.718 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -1.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -43.694620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.694620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.694620 (E_RNA) where: Base-Base interactions energy: -19.074 where: short stacking energy: -19.074 Base-Backbone interact. energy: -0.023 local terms energy: -24.597320 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -5.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -88.330623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.330623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.330623 (E_RNA) where: Base-Base interactions energy: -68.899 where: short stacking energy: -26.465 Base-Backbone interact. energy: -0.003 local terms energy: -19.429121 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: 3.725 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -80.433464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.433464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.433464 (E_RNA) where: Base-Base interactions energy: -52.282 where: short stacking energy: -20.484 Base-Backbone interact. energy: -0.006 local terms energy: -28.144850 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.929 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: -3.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -81.757217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.757217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.757217 (E_RNA) where: Base-Base interactions energy: -53.010 where: short stacking energy: -23.250 Base-Backbone interact. energy: -0.216 local terms energy: -28.531120 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -3.272 tors. eta vs tors. theta energy: -5.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -78.830945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.830945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.830945 (E_RNA) where: Base-Base interactions energy: -53.700 where: short stacking energy: -18.197 Base-Backbone interact. energy: -0.002 local terms energy: -25.128751 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -5.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -77.019305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.019305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.019305 (E_RNA) where: Base-Base interactions energy: -54.692 where: short stacking energy: -22.633 Base-Backbone interact. energy: -0.003 local terms energy: -22.323552 where: bonds (distance) C4'-P energy: -4.986 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -2.432 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -42.872601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.872601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.872601 (E_RNA) where: Base-Base interactions energy: -17.640 where: short stacking energy: -17.640 Base-Backbone interact. energy: -0.117 local terms energy: -25.115765 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -1.305 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: 7, replica: 4 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -46.722843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.722843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.722843 (E_RNA) where: Base-Base interactions energy: -16.454 where: short stacking energy: -16.454 Base-Backbone interact. energy: -0.000 local terms energy: -30.268922 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -6.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -52.620762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.620762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.620762 (E_RNA) where: Base-Base interactions energy: -25.762 where: short stacking energy: -25.762 Base-Backbone interact. energy: -0.000 local terms energy: -26.858468 where: bonds (distance) C4'-P energy: -3.873 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -2.483 tors. eta vs tors. theta energy: -6.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -40.811150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.811150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.811150 (E_RNA) where: Base-Base interactions energy: -19.741 where: short stacking energy: -13.901 Base-Backbone interact. energy: -0.005 local terms energy: -21.065756 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -2.301 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -2.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -37.621832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.621832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.621832 (E_RNA) where: Base-Base interactions energy: -13.683 where: short stacking energy: -13.683 Base-Backbone interact. energy: -0.098 local terms energy: -23.840642 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -1.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -82.179537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.179537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.179537 (E_RNA) where: Base-Base interactions energy: -62.596 where: short stacking energy: -21.618 Base-Backbone interact. energy: -0.001 local terms energy: -19.583158 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -5.749 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: 1.235 tors. eta vs tors. theta energy: -4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -83.605012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.605012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.605012 (E_RNA) where: Base-Base interactions energy: -55.692 where: short stacking energy: -24.274 Base-Backbone interact. energy: -0.000 local terms energy: -27.912247 where: bonds (distance) C4'-P energy: -3.897 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -5.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -85.098389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.098389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.098389 (E_RNA) where: Base-Base interactions energy: -62.264 where: short stacking energy: -22.976 Base-Backbone interact. energy: -0.002 local terms energy: -22.832501 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: 1.415 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: 4, replica: 7 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -83.395960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.395960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.395960 (E_RNA) where: Base-Base interactions energy: -60.090 where: short stacking energy: -25.337 Base-Backbone interact. energy: -0.004 local terms energy: -23.301291 where: bonds (distance) C4'-P energy: -4.324 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -1.457 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: 5, replica: 6 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -75.906111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.906111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.906111 (E_RNA) where: Base-Base interactions energy: -48.787 where: short stacking energy: -22.671 Base-Backbone interact. energy: -0.004 local terms energy: -27.115171 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -5.738 flat angles P-C4'-P energy: -5.345 tors. eta vs tors. theta energy: -2.787 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: 6, replica: 9 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -39.595657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.595657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.595657 (E_RNA) where: Base-Base interactions energy: -17.648 where: short stacking energy: -17.648 Base-Backbone interact. energy: -0.002 local terms energy: -21.945200 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.507 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -2.979 tors. eta vs tors. theta energy: -1.840 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: 4 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -38.592458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.592458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.592458 (E_RNA) where: Base-Base interactions energy: -16.090 where: short stacking energy: -16.090 Base-Backbone interact. energy: -0.016 local terms energy: -22.486093 where: bonds (distance) C4'-P energy: -4.449 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -2.749 tors. eta vs tors. theta energy: -4.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -40.263562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.263562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.263562 (E_RNA) where: Base-Base interactions energy: -18.129 where: short stacking energy: -18.129 Base-Backbone interact. energy: -0.124 local terms energy: -22.010225 where: bonds (distance) C4'-P energy: -4.829 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -2.445 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: 9, replica: 10 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -48.574677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.574677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.574677 (E_RNA) where: Base-Base interactions energy: -20.048 where: short stacking energy: -20.048 Base-Backbone interact. energy: -0.000 local terms energy: -28.526494 where: bonds (distance) C4'-P energy: -2.661 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -3.764 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: 10, replica: 2 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -41.077881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.077881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.077881 (E_RNA) where: Base-Base interactions energy: -15.931 where: short stacking energy: -15.931 Base-Backbone interact. energy: -0.060 local terms energy: -25.086370 where: bonds (distance) C4'-P energy: -5.674 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -89.428275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.428275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.428275 (E_RNA) where: Base-Base interactions energy: -64.791 where: short stacking energy: -27.009 Base-Backbone interact. energy: -0.036 local terms energy: -24.601831 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: 0.315 tors. eta vs tors. theta energy: -3.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -80.694350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.694350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.694350 (E_RNA) where: Base-Base interactions energy: -54.390 where: short stacking energy: -21.662 Base-Backbone interact. energy: -0.002 local terms energy: -26.302749 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -1.924 tors. eta vs tors. theta energy: -5.201 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: 3, replica: 5 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -81.445989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.445989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.445989 (E_RNA) where: Base-Base interactions energy: -58.174 where: short stacking energy: -26.437 Base-Backbone interact. energy: -0.009 local terms energy: -23.262552 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.345 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -77.676615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.676615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.676615 (E_RNA) where: Base-Base interactions energy: -50.674 where: short stacking energy: -22.626 Base-Backbone interact. energy: -0.002 local terms energy: -27.000815 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -6.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -79.099114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.099114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.099114 (E_RNA) where: Base-Base interactions energy: -53.310 where: short stacking energy: -21.289 Base-Backbone interact. energy: -0.005 local terms energy: -25.784607 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -3.236 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -5.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -44.472801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.472801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.472801 (E_RNA) where: Base-Base interactions energy: -19.842 where: short stacking energy: -19.842 Base-Backbone interact. energy: -0.002 local terms energy: -24.628591 where: bonds (distance) C4'-P energy: -5.860 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -7.266 flat angles P-C4'-P energy: -1.306 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -49.927223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.927223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.927223 (E_RNA) where: Base-Base interactions energy: -21.645 where: short stacking energy: -21.645 Base-Backbone interact. energy: -0.000 local terms energy: -28.282443 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -2.890 tors. eta vs tors. theta energy: -4.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -42.699516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.699516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.699516 (E_RNA) where: Base-Base interactions energy: -20.766 where: short stacking energy: -20.766 Base-Backbone interact. energy: -0.047 local terms energy: -21.886641 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -2.596 tors. eta vs tors. theta energy: -0.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -41.112433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.112433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.112433 (E_RNA) where: Base-Base interactions energy: -16.633 where: short stacking energy: -14.824 Base-Backbone interact. energy: -0.000 local terms energy: -24.478655 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -2.957 tors. eta vs tors. theta energy: -3.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -41.984107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.984107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.984107 (E_RNA) where: Base-Base interactions energy: -18.615 where: short stacking energy: -18.615 Base-Backbone interact. energy: -0.000 local terms energy: -23.368976 where: bonds (distance) C4'-P energy: -4.291 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -3.117 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -4.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -81.341013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.341013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.341013 (E_RNA) where: Base-Base interactions energy: -58.705 where: short stacking energy: -22.076 Base-Backbone interact. energy: 0.395 local terms energy: -23.031175 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.896 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: 0.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -80.779454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.779454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.779454 (E_RNA) where: Base-Base interactions energy: -53.635 where: short stacking energy: -25.191 Base-Backbone interact. energy: -0.300 local terms energy: -26.844898 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -4.041 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -6.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -84.004264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.004264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.004264 (E_RNA) where: Base-Base interactions energy: -58.106 where: short stacking energy: -23.616 Base-Backbone interact. energy: -0.000 local terms energy: -25.897910 where: bonds (distance) C4'-P energy: -5.288 bonds (distance) P-C4' energy: -6.243 flat angles C4'-P-C4' energy: -2.865 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -6.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -78.967752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.967752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.967752 (E_RNA) where: Base-Base interactions energy: -50.748 where: short stacking energy: -23.620 Base-Backbone interact. energy: -0.001 local terms energy: -28.218853 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -5.249 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: 5, replica: 7 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -80.396246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.396246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.396246 (E_RNA) where: Base-Base interactions energy: -54.148 where: short stacking energy: -19.265 Base-Backbone interact. energy: -0.000 local terms energy: -26.248016 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -1.353 tors. eta vs tors. theta energy: -5.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -40.130883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.130883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.130883 (E_RNA) where: Base-Base interactions energy: -15.161 where: short stacking energy: -15.161 Base-Backbone interact. energy: -0.204 local terms energy: -24.765418 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -1.996 tors. eta vs tors. theta energy: -3.427 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: 10 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -49.302861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.302861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.302861 (E_RNA) where: Base-Base interactions energy: -24.717 where: short stacking energy: -24.717 Base-Backbone interact. energy: -0.004 local terms energy: -24.582253 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -6.735 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: -2.218 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: 9 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -48.758748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.758748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.758748 (E_RNA) where: Base-Base interactions energy: -22.201 where: short stacking energy: -22.201 Base-Backbone interact. energy: -0.000 local terms energy: -26.557519 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -5.851 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: -5.807 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: 2 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -45.994108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.994108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.994108 (E_RNA) where: Base-Base interactions energy: -19.297 where: short stacking energy: -19.297 Base-Backbone interact. energy: -0.001 local terms energy: -26.696448 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -1.632 tors. eta vs tors. theta energy: -6.178 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: 8 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -41.764594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.764594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.764594 (E_RNA) where: Base-Base interactions energy: -19.005 where: short stacking energy: -19.005 Base-Backbone interact. energy: -0.003 local terms energy: -22.756367 where: bonds (distance) C4'-P energy: -2.850 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -1.051 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: 1, replica: 1 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -86.870276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.870276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.870276 (E_RNA) where: Base-Base interactions energy: -60.708 where: short stacking energy: -25.624 Base-Backbone interact. energy: -0.000 local terms energy: -26.162021 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -2.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -80.754841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.754841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.754841 (E_RNA) where: Base-Base interactions energy: -51.751 where: short stacking energy: -21.399 Base-Backbone interact. energy: -0.006 local terms energy: -28.997927 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: -3.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -87.842613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.842613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.842613 (E_RNA) where: Base-Base interactions energy: -58.249 where: short stacking energy: -24.624 Base-Backbone interact. energy: -0.000 local terms energy: -29.593859 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.211 flat angles P-C4'-P energy: -4.297 tors. eta vs tors. theta energy: -5.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -77.333422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.333422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.333422 (E_RNA) where: Base-Base interactions energy: -60.067 where: short stacking energy: -21.890 Base-Backbone interact. energy: -0.044 local terms energy: -17.222771 where: bonds (distance) C4'-P energy: -5.579 bonds (distance) P-C4' energy: -6.204 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: 1.149 tors. eta vs tors. theta energy: -0.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -83.297856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.297856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.297856 (E_RNA) where: Base-Base interactions energy: -57.594 where: short stacking energy: -23.619 Base-Backbone interact. energy: -0.045 local terms energy: -25.658452 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -4.103 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -6.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -43.298209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.298209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.298209 (E_RNA) where: Base-Base interactions energy: -19.249 where: short stacking energy: -19.249 Base-Backbone interact. energy: -0.009 local terms energy: -24.040340 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.332 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -3.364 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: 7, replica: 4 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -47.839236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.839236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.839236 (E_RNA) where: Base-Base interactions energy: -19.319 where: short stacking energy: -19.319 Base-Backbone interact. energy: -0.000 local terms energy: -28.520702 where: bonds (distance) C4'-P energy: -5.827 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -2.945 tors. eta vs tors. theta energy: -6.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -43.076553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.076553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.076553 (E_RNA) where: Base-Base interactions energy: -21.690 where: short stacking energy: -12.471 Base-Backbone interact. energy: -0.156 local terms energy: -21.230480 where: bonds (distance) C4'-P energy: -3.434 bonds (distance) P-C4' energy: -5.192 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -3.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -41.028312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.028312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.028312 (E_RNA) where: Base-Base interactions energy: -15.868 where: short stacking energy: -15.868 Base-Backbone interact. energy: -0.007 local terms energy: -25.153273 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -0.825 flat angles P-C4'-P energy: -5.843 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -42.610107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.610107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.610107 (E_RNA) where: Base-Base interactions energy: -18.734 where: short stacking energy: -8.475 Base-Backbone interact. energy: -0.045 local terms energy: -23.831890 where: bonds (distance) C4'-P energy: -5.338 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -2.851 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -86.320354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.320354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.320354 (E_RNA) where: Base-Base interactions energy: -56.716 where: short stacking energy: -25.260 Base-Backbone interact. energy: -0.000 local terms energy: -29.604581 where: bonds (distance) C4'-P energy: -4.776 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -7.570 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -6.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -80.793737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.793737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.793737 (E_RNA) where: Base-Base interactions energy: -56.655 where: short stacking energy: -23.576 Base-Backbone interact. energy: -0.001 local terms energy: -24.137148 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -2.330 tors. eta vs tors. theta energy: -2.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -83.082108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.082108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.082108 (E_RNA) where: Base-Base interactions energy: -57.038 where: short stacking energy: -25.951 Base-Backbone interact. energy: -0.000 local terms energy: -26.043615 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -3.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -79.875183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.875183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.875183 (E_RNA) where: Base-Base interactions energy: -52.221 where: short stacking energy: -21.884 Base-Backbone interact. energy: -0.004 local terms energy: -27.651002 where: bonds (distance) C4'-P energy: -5.785 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: -5.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -80.563791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.563791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.563791 (E_RNA) where: Base-Base interactions energy: -54.784 where: short stacking energy: -21.262 Base-Backbone interact. energy: -0.094 local terms energy: -25.685993 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -5.262 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -2.165 tors. eta vs tors. theta energy: -6.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -58.044943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.044943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.044943 (E_RNA) where: Base-Base interactions energy: -25.538 where: short stacking energy: -25.408 Base-Backbone interact. energy: -0.000 local terms energy: -32.507213 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.283 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -9.109 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: 2 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -46.039821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.039821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.039821 (E_RNA) where: Base-Base interactions energy: -16.557 where: short stacking energy: -16.557 Base-Backbone interact. energy: -0.099 local terms energy: -29.383749 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -4.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -43.355852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.355852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.355852 (E_RNA) where: Base-Base interactions energy: -21.364 where: short stacking energy: -21.364 Base-Backbone interact. energy: -0.009 local terms energy: -21.982302 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.529 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -1.579 tors. eta vs tors. theta energy: -1.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -35.758779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.758779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.758779 (E_RNA) where: Base-Base interactions energy: -16.303 where: short stacking energy: -16.303 Base-Backbone interact. energy: 1.268 local terms energy: -20.723939 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -4.105 flat angles P-C4'-P energy: -2.617 tors. eta vs tors. theta energy: -1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -44.515784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.515784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.515784 (E_RNA) where: Base-Base interactions energy: -19.764 where: short stacking energy: -19.764 Base-Backbone interact. energy: -0.000 local terms energy: -24.751464 where: bonds (distance) C4'-P energy: -2.304 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -2.830 tors. eta vs tors. theta energy: -7.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -90.202370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.202370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.202370 (E_RNA) where: Base-Base interactions energy: -63.259 where: short stacking energy: -21.959 Base-Backbone interact. energy: -0.003 local terms energy: -26.940317 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.195 flat angles P-C4'-P energy: -1.807 tors. eta vs tors. theta energy: -5.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -85.492237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.492237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.492237 (E_RNA) where: Base-Base interactions energy: -57.765 where: short stacking energy: -23.873 Base-Backbone interact. energy: -0.006 local terms energy: -27.721717 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.665 flat angles P-C4'-P energy: -2.565 tors. eta vs tors. theta energy: -4.684 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: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -81.977221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.977221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.977221 (E_RNA) where: Base-Base interactions energy: -55.598 where: short stacking energy: -25.944 Base-Backbone interact. energy: -0.434 local terms energy: -25.944954 where: bonds (distance) C4'-P energy: -3.597 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -2.424 tors. eta vs tors. theta energy: -6.338 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: 4, replica: 7 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -80.768230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.768230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.768230 (E_RNA) where: Base-Base interactions energy: -53.672 where: short stacking energy: -24.768 Base-Backbone interact. energy: -0.112 local terms energy: -26.983601 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -3.409 tors. eta vs tors. theta energy: -5.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -80.176346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.176346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.176346 (E_RNA) where: Base-Base interactions energy: -57.542 where: short stacking energy: -24.326 Base-Backbone interact. energy: -0.001 local terms energy: -22.633628 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -0.950 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -42.627963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.627963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.627963 (E_RNA) where: Base-Base interactions energy: -19.115 where: short stacking energy: -19.115 Base-Backbone interact. energy: -0.106 local terms energy: -23.407447 where: bonds (distance) C4'-P energy: -5.607 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -0.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -55.935684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.935684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.935684 (E_RNA) where: Base-Base interactions energy: -29.534 where: short stacking energy: -22.028 Base-Backbone interact. energy: -0.502 local terms energy: -25.899490 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -5.604 tors. eta vs tors. theta energy: -4.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -47.054040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.054040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.054040 (E_RNA) where: Base-Base interactions energy: -20.662 where: short stacking energy: -20.662 Base-Backbone interact. energy: -0.001 local terms energy: -26.391820 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -42.547455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.547455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.547455 (E_RNA) where: Base-Base interactions energy: -21.698 where: short stacking energy: -11.173 Base-Backbone interact. energy: 1.634 local terms energy: -22.483919 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -2.608 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: 10, replica: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -42.760999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.760999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.760999 (E_RNA) where: Base-Base interactions energy: -19.953 where: short stacking energy: -19.953 Base-Backbone interact. energy: -0.094 local terms energy: -22.713746 where: bonds (distance) C4'-P energy: -2.102 bonds (distance) P-C4' energy: -5.165 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -6.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -93.608245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.608245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.608245 (E_RNA) where: Base-Base interactions energy: -72.983 where: short stacking energy: -27.194 Base-Backbone interact. energy: -0.001 local terms energy: -20.623819 where: bonds (distance) C4'-P energy: -4.636 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: 3.525 tors. eta vs tors. theta energy: -5.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -86.292965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.292965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.292965 (E_RNA) where: Base-Base interactions energy: -58.868 where: short stacking energy: -22.625 Base-Backbone interact. energy: -0.040 local terms energy: -27.384827 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.929 flat angles P-C4'-P energy: -0.814 tors. eta vs tors. theta energy: -5.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -85.449310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.449310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.449310 (E_RNA) where: Base-Base interactions energy: -62.307 where: short stacking energy: -22.692 Base-Backbone interact. energy: -0.001 local terms energy: -23.141544 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: 3.693 tors. eta vs tors. theta energy: -7.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -78.410251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.410251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.410251 (E_RNA) where: Base-Base interactions energy: -49.999 where: short stacking energy: -18.491 Base-Backbone interact. energy: -0.003 local terms energy: -28.408667 where: bonds (distance) C4'-P energy: -4.436 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -4.690 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: 5, replica: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -78.770006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.770006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.770006 (E_RNA) where: Base-Base interactions energy: -58.793 where: short stacking energy: -20.353 Base-Backbone interact. energy: -0.008 local terms energy: -19.969013 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: 2.551 tors. eta vs tors. theta energy: -4.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -46.519028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.519028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.519028 (E_RNA) where: Base-Base interactions energy: -24.215 where: short stacking energy: -24.215 Base-Backbone interact. energy: -0.029 local terms energy: -22.275611 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -2.479 flat angles C4'-P-C4' energy: -7.592 flat angles P-C4'-P energy: -3.300 tors. eta vs tors. theta energy: -2.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -45.821137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.821137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.821137 (E_RNA) where: Base-Base interactions energy: -16.249 where: short stacking energy: -16.249 Base-Backbone interact. energy: -0.012 local terms energy: -29.560546 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: -3.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -40.733589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.733589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.733589 (E_RNA) where: Base-Base interactions energy: -20.665 where: short stacking energy: -17.204 Base-Backbone interact. energy: 0.501 local terms energy: -20.568760 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -6.010 flat angles C4'-P-C4' energy: -4.192 flat angles P-C4'-P energy: -2.806 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -42.776521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.776521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.776521 (E_RNA) where: Base-Base interactions energy: -18.089 where: short stacking energy: -18.089 Base-Backbone interact. energy: -0.000 local terms energy: -24.687399 where: bonds (distance) C4'-P energy: -3.960 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -5.234 tors. eta vs tors. theta energy: -3.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -42.088977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.088977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.088977 (E_RNA) where: Base-Base interactions energy: -17.821 where: short stacking energy: -17.821 Base-Backbone interact. energy: -0.040 local terms energy: -24.228405 where: bonds (distance) C4'-P energy: -3.740 bonds (distance) P-C4' energy: -4.921 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -5.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -92.472399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.472399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.472399 (E_RNA) where: Base-Base interactions energy: -71.071 where: short stacking energy: -26.738 Base-Backbone interact. energy: -0.345 local terms energy: -21.056737 where: bonds (distance) C4'-P energy: -5.827 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: 2.795 tors. eta vs tors. theta energy: -5.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -82.664758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.664758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.664758 (E_RNA) where: Base-Base interactions energy: -55.361 where: short stacking energy: -23.138 Base-Backbone interact. energy: -0.000 local terms energy: -27.303213 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -5.299 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -2.599 tors. eta vs tors. theta energy: -6.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -85.438712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.438712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.438712 (E_RNA) where: Base-Base interactions energy: -62.191 where: short stacking energy: -26.178 Base-Backbone interact. energy: -0.001 local terms energy: -23.247077 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -4.563 flat angles P-C4'-P energy: -1.337 tors. eta vs tors. theta energy: -5.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -92.936838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.936838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.936838 (E_RNA) where: Base-Base interactions energy: -68.267 where: short stacking energy: -23.462 Base-Backbone interact. energy: -0.091 local terms energy: -24.578948 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -1.492 tors. eta vs tors. theta energy: -6.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -78.509429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.509429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.509429 (E_RNA) where: Base-Base interactions energy: -50.873 where: short stacking energy: -21.916 Base-Backbone interact. energy: -0.033 local terms energy: -27.603736 where: bonds (distance) C4'-P energy: -6.482 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -3.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -43.458537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.458537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.458537 (E_RNA) where: Base-Base interactions energy: -19.115 where: short stacking energy: -18.377 Base-Backbone interact. energy: -0.002 local terms energy: -24.340896 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -2.010 tors. eta vs tors. theta energy: -3.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -56.707807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.707807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.707807 (E_RNA) where: Base-Base interactions energy: -30.750 where: short stacking energy: -13.266 Base-Backbone interact. energy: -0.174 local terms energy: -25.783730 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -2.543 tors. eta vs tors. theta energy: -4.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -50.357864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.357864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.357864 (E_RNA) where: Base-Base interactions energy: -26.685 where: short stacking energy: -14.028 Base-Backbone interact. energy: -0.039 local terms energy: -23.633539 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -1.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -41.215586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.215586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.215586 (E_RNA) where: Base-Base interactions energy: -17.395 where: short stacking energy: -16.279 Base-Backbone interact. energy: -0.007 local terms energy: -23.814268 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -0.481 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: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -49.398755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.398755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.398755 (E_RNA) where: Base-Base interactions energy: -26.814 where: short stacking energy: -17.620 Base-Backbone interact. energy: -0.163 local terms energy: -22.421482 where: bonds (distance) C4'-P energy: -3.418 bonds (distance) P-C4' energy: -5.682 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -78.537073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.537073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.537073 (E_RNA) where: Base-Base interactions energy: -53.322 where: short stacking energy: -17.232 Base-Backbone interact. energy: -0.053 local terms energy: -25.161567 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -82.006969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.006969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.006969 (E_RNA) where: Base-Base interactions energy: -53.409 where: short stacking energy: -23.302 Base-Backbone interact. energy: -0.001 local terms energy: -28.597595 where: bonds (distance) C4'-P energy: -5.636 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -4.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -78.225264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.225264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.225264 (E_RNA) where: Base-Base interactions energy: -57.195 where: short stacking energy: -18.771 Base-Backbone interact. energy: -0.000 local terms energy: -21.030395 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: 3.378 tors. eta vs tors. theta energy: -3.308 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: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -80.527828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.527828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.527828 (E_RNA) where: Base-Base interactions energy: -63.497 where: short stacking energy: -25.354 Base-Backbone interact. energy: -0.000 local terms energy: -17.030939 where: bonds (distance) C4'-P energy: -5.901 bonds (distance) P-C4' energy: -3.603 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: 2.471 tors. eta vs tors. theta energy: -5.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -67.368931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.368931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.368931 (E_RNA) where: Base-Base interactions energy: -44.039 where: short stacking energy: -15.906 Base-Backbone interact. energy: -0.000 local terms energy: -23.328990 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -1.856 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -66.223635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.223635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.223635 (E_RNA) where: Base-Base interactions energy: -43.118 where: short stacking energy: -22.116 Base-Backbone interact. energy: 1.037 local terms energy: -24.142702 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -1.963 tors. eta vs tors. theta energy: -2.909 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: 9 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -45.451138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.451138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.451138 (E_RNA) where: Base-Base interactions energy: -17.538 where: short stacking energy: -17.538 Base-Backbone interact. energy: -0.005 local terms energy: -27.908375 where: bonds (distance) C4'-P energy: -4.938 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -5.570 tors. eta vs tors. theta energy: -4.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -46.176631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.176631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.176631 (E_RNA) where: Base-Base interactions energy: -23.321 where: short stacking energy: -23.321 Base-Backbone interact. energy: -0.218 local terms energy: -22.637437 where: bonds (distance) C4'-P energy: -1.584 bonds (distance) P-C4' energy: -6.458 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -41.495178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.495178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.495178 (E_RNA) where: Base-Base interactions energy: -15.467 where: short stacking energy: -15.467 Base-Backbone interact. energy: -0.026 local terms energy: -26.002019 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: -4.043 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: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -35.545813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.545813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.545813 (E_RNA) where: Base-Base interactions energy: -17.181 where: short stacking energy: -17.181 Base-Backbone interact. energy: -0.001 local terms energy: -18.362957 where: bonds (distance) C4'-P energy: -4.642 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -2.586 flat angles P-C4'-P energy: -1.392 tors. eta vs tors. theta energy: -2.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -83.427416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.427416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.427416 (E_RNA) where: Base-Base interactions energy: -59.056 where: short stacking energy: -21.083 Base-Backbone interact. energy: -0.221 local terms energy: -24.150724 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -0.096 tors. eta vs tors. theta energy: -5.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -83.380772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.380772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.380772 (E_RNA) where: Base-Base interactions energy: -60.221 where: short stacking energy: -24.716 Base-Backbone interact. energy: -0.021 local terms energy: -23.139362 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.198 flat angles P-C4'-P energy: -0.357 tors. eta vs tors. theta energy: -6.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -81.212241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.212241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.212241 (E_RNA) where: Base-Base interactions energy: -54.014 where: short stacking energy: -25.788 Base-Backbone interact. energy: -0.000 local terms energy: -27.198172 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.588 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -5.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -50.223738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.223738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.223738 (E_RNA) where: Base-Base interactions energy: -21.860 where: short stacking energy: -21.860 Base-Backbone interact. energy: -0.000 local terms energy: -28.363646 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -7.191 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: -4.546 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: 5, replica: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -81.228920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.228920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.228920 (E_RNA) where: Base-Base interactions energy: -56.537 where: short stacking energy: -15.363 Base-Backbone interact. energy: -0.017 local terms energy: -24.674551 where: bonds (distance) C4'-P energy: -5.657 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -2.375 tors. eta vs tors. theta energy: -4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -82.926958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.926958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.926958 (E_RNA) where: Base-Base interactions energy: -61.183 where: short stacking energy: -25.225 Base-Backbone interact. energy: -0.001 local terms energy: -21.742907 where: bonds (distance) C4'-P energy: -5.483 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -2.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -43.932051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.932051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.932051 (E_RNA) where: Base-Base interactions energy: -25.915 where: short stacking energy: -13.882 Base-Backbone interact. energy: -0.169 local terms energy: -17.848382 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -2.798 flat angles P-C4'-P energy: -2.129 tors. eta vs tors. theta energy: -0.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -38.154403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.154403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.154403 (E_RNA) where: Base-Base interactions energy: -14.980 where: short stacking energy: -14.980 Base-Backbone interact. energy: -0.050 local terms energy: -23.124675 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -3.064 tors. eta vs tors. theta energy: -2.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -44.943072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.943072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.943072 (E_RNA) where: Base-Base interactions energy: -24.821 where: short stacking energy: -10.178 Base-Backbone interact. energy: -0.148 local terms energy: -19.973853 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -3.014 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -1.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -35.922047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.922047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.922047 (E_RNA) where: Base-Base interactions energy: -13.606 where: short stacking energy: -14.806 Base-Backbone interact. energy: -0.131 local terms energy: -22.185645 where: bonds (distance) C4'-P energy: -3.410 bonds (distance) P-C4' energy: -5.023 flat angles C4'-P-C4' energy: -7.016 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -2.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -91.221408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.221408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.221408 (E_RNA) where: Base-Base interactions energy: -64.010 where: short stacking energy: -26.857 Base-Backbone interact. energy: -0.160 local terms energy: -27.050963 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -1.829 tors. eta vs tors. theta energy: -6.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -87.003159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.003159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.003159 (E_RNA) where: Base-Base interactions energy: -66.611 where: short stacking energy: -21.235 Base-Backbone interact. energy: -0.016 local terms energy: -20.375960 where: bonds (distance) C4'-P energy: -2.820 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.755 flat angles P-C4'-P energy: -1.542 tors. eta vs tors. theta energy: -2.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -63.540572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.540572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.540572 (E_RNA) where: Base-Base interactions energy: -39.440 where: short stacking energy: -30.504 Base-Backbone interact. energy: -0.113 local terms energy: -23.988049 where: bonds (distance) C4'-P energy: -4.365 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -2.606 tors. eta vs tors. theta energy: -5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -55.154246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.154246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.154246 (E_RNA) where: Base-Base interactions energy: -33.380 where: short stacking energy: -16.505 Base-Backbone interact. energy: -0.802 local terms energy: -20.972381 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -3.666 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -1.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -78.347781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.347781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.347781 (E_RNA) where: Base-Base interactions energy: -52.561 where: short stacking energy: -20.646 Base-Backbone interact. energy: -0.001 local terms energy: -25.786089 where: bonds (distance) C4'-P energy: -5.273 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: -4.213 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: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -81.058172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.058172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.058172 (E_RNA) where: Base-Base interactions energy: -52.942 where: short stacking energy: -23.182 Base-Backbone interact. energy: -0.000 local terms energy: -28.116519 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: -4.024 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: 4 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -43.406406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.406406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.406406 (E_RNA) where: Base-Base interactions energy: -20.388 where: short stacking energy: -20.388 Base-Backbone interact. energy: -0.002 local terms energy: -23.015582 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -2.796 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: 9 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -51.618512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.618512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.618512 (E_RNA) where: Base-Base interactions energy: -22.645 where: short stacking energy: -22.645 Base-Backbone interact. energy: -0.000 local terms energy: -28.973646 where: bonds (distance) C4'-P energy: -4.005 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -6.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -44.450051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.450051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.450051 (E_RNA) where: Base-Base interactions energy: -18.949 where: short stacking energy: -18.949 Base-Backbone interact. energy: -0.031 local terms energy: -25.470643 where: bonds (distance) C4'-P energy: -5.086 bonds (distance) P-C4' energy: -6.244 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -4.505 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: 390 Temperature: 1.350000 Total energy: -46.236671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.236671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.236671 (E_RNA) where: Base-Base interactions energy: -20.175 where: short stacking energy: -20.175 Base-Backbone interact. energy: -0.019 local terms energy: -26.042443 where: bonds (distance) C4'-P energy: -4.464 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -2.976 tors. eta vs tors. theta energy: -4.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -88.968098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.968098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.968098 (E_RNA) where: Base-Base interactions energy: -63.538 where: short stacking energy: -24.727 Base-Backbone interact. energy: -0.004 local terms energy: -25.426642 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -0.887 tors. eta vs tors. theta energy: -4.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -90.722185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.722185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.722185 (E_RNA) where: Base-Base interactions energy: -68.670 where: short stacking energy: -28.801 Base-Backbone interact. energy: -0.027 local terms energy: -22.024568 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.047 flat angles P-C4'-P energy: 2.086 tors. eta vs tors. theta energy: -3.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -80.608008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.608008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.608008 (E_RNA) where: Base-Base interactions energy: -54.923 where: short stacking energy: -19.439 Base-Backbone interact. energy: -0.004 local terms energy: -25.681277 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -79.373560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.373560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.373560 (E_RNA) where: Base-Base interactions energy: -60.876 where: short stacking energy: -23.318 Base-Backbone interact. energy: -0.005 local terms energy: -18.492783 where: bonds (distance) C4'-P energy: -3.009 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: 0.489 tors. eta vs tors. theta energy: -5.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -54.125659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.125659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.125659 (E_RNA) where: Base-Base interactions energy: -30.875 where: short stacking energy: -18.672 Base-Backbone interact. energy: -0.059 local terms energy: -23.190868 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -3.058 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -87.198913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.198913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.198913 (E_RNA) where: Base-Base interactions energy: -65.785 where: short stacking energy: -23.882 Base-Backbone interact. energy: -0.051 local terms energy: -21.362419 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -2.439 flat angles P-C4'-P energy: -0.611 tors. eta vs tors. theta energy: -5.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -42.761798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.761798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.761798 (E_RNA) where: Base-Base interactions energy: -17.042 where: short stacking energy: -17.042 Base-Backbone interact. energy: -0.013 local terms energy: -25.706298 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: -3.893 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: 2 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -55.149552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.149552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.149552 (E_RNA) where: Base-Base interactions energy: -27.909 where: short stacking energy: -27.909 Base-Backbone interact. energy: -0.000 local terms energy: -27.240998 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -2.685 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -7.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -39.937227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.937227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.937227 (E_RNA) where: Base-Base interactions energy: -17.594 where: short stacking energy: -17.594 Base-Backbone interact. energy: -0.001 local terms energy: -22.341565 where: bonds (distance) C4'-P energy: -4.552 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -2.079 tors. eta vs tors. theta energy: -4.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -42.933442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.933442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.933442 (E_RNA) where: Base-Base interactions energy: -19.025 where: short stacking energy: -19.025 Base-Backbone interact. energy: -0.000 local terms energy: -23.908003 where: bonds (distance) C4'-P energy: -4.569 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -1.688 tors. eta vs tors. theta energy: -3.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -87.245054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.245054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.245054 (E_RNA) where: Base-Base interactions energy: -61.944 where: short stacking energy: -23.717 Base-Backbone interact. energy: -0.002 local terms energy: -25.299039 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -4.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -77.792150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.792150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.792150 (E_RNA) where: Base-Base interactions energy: -47.964 where: short stacking energy: -18.914 Base-Backbone interact. energy: -0.012 local terms energy: -29.816082 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: -5.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -90.782879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.782879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.782879 (E_RNA) where: Base-Base interactions energy: -64.649 where: short stacking energy: -22.908 Base-Backbone interact. energy: -0.018 local terms energy: -26.116042 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -1.691 tors. eta vs tors. theta energy: -4.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -86.570859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.570859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.570859 (E_RNA) where: Base-Base interactions energy: -61.671 where: short stacking energy: -23.619 Base-Backbone interact. energy: -0.369 local terms energy: -24.531070 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: 0.503 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: 5, replica: 6 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -83.192600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.192600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.192600 (E_RNA) where: Base-Base interactions energy: -58.525 where: short stacking energy: -21.656 Base-Backbone interact. energy: -0.134 local terms energy: -24.533303 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -2.107 tors. eta vs tors. theta energy: -3.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -49.047584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.047584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.047584 (E_RNA) where: Base-Base interactions energy: -20.707 where: short stacking energy: -20.707 Base-Backbone interact. energy: -0.008 local terms energy: -28.332202 where: bonds (distance) C4'-P energy: -4.870 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -7.330 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -45.546207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.546207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.546207 (E_RNA) where: Base-Base interactions energy: -18.580 where: short stacking energy: -18.580 Base-Backbone interact. energy: -0.008 local terms energy: -26.958568 where: bonds (distance) C4'-P energy: -3.720 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: -6.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -48.746181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.746181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.746181 (E_RNA) where: Base-Base interactions energy: -18.969 where: short stacking energy: -18.969 Base-Backbone interact. energy: -0.000 local terms energy: -29.777253 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.172 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -2.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -42.963244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.963244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.963244 (E_RNA) where: Base-Base interactions energy: -19.493 where: short stacking energy: -19.493 Base-Backbone interact. energy: -0.008 local terms energy: -23.462389 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.649 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: 0.190 tors. eta vs tors. theta energy: -4.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -42.418994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.418994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.418994 (E_RNA) where: Base-Base interactions energy: -18.456 where: short stacking energy: -18.456 Base-Backbone interact. energy: -0.001 local terms energy: -23.962775 where: bonds (distance) C4'-P energy: -5.413 bonds (distance) P-C4' energy: -5.321 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -85.412197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.412197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.412197 (E_RNA) where: Base-Base interactions energy: -53.751 where: short stacking energy: -23.339 Base-Backbone interact. energy: -0.000 local terms energy: -31.660949 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -6.737 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: 8 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -86.400425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.400425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.400425 (E_RNA) where: Base-Base interactions energy: -61.847 where: short stacking energy: -23.230 Base-Backbone interact. energy: 0.322 local terms energy: -24.875349 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -1.429 tors. eta vs tors. theta energy: -3.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -83.642219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.642219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.642219 (E_RNA) where: Base-Base interactions energy: -61.231 where: short stacking energy: -22.434 Base-Backbone interact. energy: -0.009 local terms energy: -22.402569 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -1.357 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -79.637029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.637029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.637029 (E_RNA) where: Base-Base interactions energy: -60.074 where: short stacking energy: -24.467 Base-Backbone interact. energy: -0.000 local terms energy: -19.562219 where: bonds (distance) C4'-P energy: -5.155 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -3.616 flat angles P-C4'-P energy: -1.429 tors. eta vs tors. theta energy: -3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -83.563119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.563119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.563119 (E_RNA) where: Base-Base interactions energy: -58.754 where: short stacking energy: -19.676 Base-Backbone interact. energy: -0.001 local terms energy: -24.808024 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -0.508 tors. eta vs tors. theta energy: -3.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -46.324263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.324263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.324263 (E_RNA) where: Base-Base interactions energy: -19.394 where: short stacking energy: -19.394 Base-Backbone interact. energy: -0.136 local terms energy: -26.794146 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -1.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -38.182891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.182891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.182891 (E_RNA) where: Base-Base interactions energy: -13.368 where: short stacking energy: -13.368 Base-Backbone interact. energy: -0.000 local terms energy: -24.814887 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -3.937 tors. eta vs tors. theta energy: -3.544 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: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -54.983559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.983559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.983559 (E_RNA) where: Base-Base interactions energy: -30.015 where: short stacking energy: -20.175 Base-Backbone interact. energy: -0.017 local terms energy: -24.951107 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -1.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -69.147674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.147674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.147674 (E_RNA) where: Base-Base interactions energy: -45.226 where: short stacking energy: -18.730 Base-Backbone interact. energy: -0.005 local terms energy: -23.917311 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -3.209 tors. eta vs tors. theta energy: -2.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -35.408691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.408691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.408691 (E_RNA) where: Base-Base interactions energy: -15.961 where: short stacking energy: -0.916 Base-Backbone interact. energy: -0.099 local terms energy: -19.348959 where: bonds (distance) C4'-P energy: -5.214 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -5.985 tors. eta vs tors. theta energy: 3.460 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: 1, replica: 3 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -86.426615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.426615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.426615 (E_RNA) where: Base-Base interactions energy: -65.133 where: short stacking energy: -24.649 Base-Backbone interact. energy: 0.079 local terms energy: -21.372729 where: bonds (distance) C4'-P energy: -5.720 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -0.223 tors. eta vs tors. theta energy: -2.479 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: 394 Temperature: 0.950000 Total energy: -82.105657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.105657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.105657 (E_RNA) where: Base-Base interactions energy: -51.829 where: short stacking energy: -20.864 Base-Backbone interact. energy: -0.497 local terms energy: -29.779479 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: -5.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -78.534841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.534841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.534841 (E_RNA) where: Base-Base interactions energy: -50.967 where: short stacking energy: -22.682 Base-Backbone interact. energy: -0.002 local terms energy: -27.566220 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -4.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -80.174545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.174545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.174545 (E_RNA) where: Base-Base interactions energy: -52.416 where: short stacking energy: -22.426 Base-Backbone interact. energy: -0.001 local terms energy: -27.756763 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -5.906 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -6.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -81.144105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.144105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.144105 (E_RNA) where: Base-Base interactions energy: -60.664 where: short stacking energy: -24.592 Base-Backbone interact. energy: -0.002 local terms energy: -20.478280 where: bonds (distance) C4'-P energy: -2.158 bonds (distance) P-C4' energy: -5.296 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -1.345 tors. eta vs tors. theta energy: -5.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -53.000349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.000349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.000349 (E_RNA) where: Base-Base interactions energy: -24.809 where: short stacking energy: -9.620 Base-Backbone interact. energy: -0.006 local terms energy: -28.185733 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -4.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -48.169949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.169949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.169949 (E_RNA) where: Base-Base interactions energy: -23.504 where: short stacking energy: -23.504 Base-Backbone interact. energy: -0.569 local terms energy: -24.097149 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -5.484 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -0.469 tors. eta vs tors. theta energy: -6.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -40.803074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.803074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.803074 (E_RNA) where: Base-Base interactions energy: -16.470 where: short stacking energy: -16.470 Base-Backbone interact. energy: -0.160 local terms energy: -24.172856 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -0.835 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: 394 Temperature: 1.300000 Total energy: -36.284934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.284934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.284934 (E_RNA) where: Base-Base interactions energy: -13.004 where: short stacking energy: -13.004 Base-Backbone interact. energy: -0.000 local terms energy: -23.280605 where: bonds (distance) C4'-P energy: -6.117 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.052 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -42.643487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.643487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.643487 (E_RNA) where: Base-Base interactions energy: -15.798 where: short stacking energy: -15.798 Base-Backbone interact. energy: -0.001 local terms energy: -26.844695 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -2.885 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: 1, replica: 3 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -91.107131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.107131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.107131 (E_RNA) where: Base-Base interactions energy: -69.969 where: short stacking energy: -24.451 Base-Backbone interact. energy: -0.010 local terms energy: -21.128836 where: bonds (distance) C4'-P energy: -4.938 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -6.823 flat angles P-C4'-P energy: 3.092 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: 2, replica: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -90.516369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.516369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.516369 (E_RNA) where: Base-Base interactions energy: -66.086 where: short stacking energy: -23.802 Base-Backbone interact. energy: -0.005 local terms energy: -24.425671 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -0.957 tors. eta vs tors. theta energy: -4.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -83.792268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.792268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.792268 (E_RNA) where: Base-Base interactions energy: -66.537 where: short stacking energy: -23.460 Base-Backbone interact. energy: -0.004 local terms energy: -17.251702 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: 4.036 tors. eta vs tors. theta energy: -3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -80.712471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.712471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.712471 (E_RNA) where: Base-Base interactions energy: -53.016 where: short stacking energy: -24.211 Base-Backbone interact. energy: -0.000 local terms energy: -27.696298 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -4.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -79.823150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.823150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.823150 (E_RNA) where: Base-Base interactions energy: -53.633 where: short stacking energy: -21.589 Base-Backbone interact. energy: -0.000 local terms energy: -26.189367 where: bonds (distance) C4'-P energy: -6.159 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -2.887 tors. eta vs tors. theta energy: -4.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -47.638087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.638087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.638087 (E_RNA) where: Base-Base interactions energy: -25.175 where: short stacking energy: -22.092 Base-Backbone interact. energy: -0.021 local terms energy: -22.442190 where: bonds (distance) C4'-P energy: -5.496 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -45.011035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.011035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.011035 (E_RNA) where: Base-Base interactions energy: -19.125 where: short stacking energy: -19.125 Base-Backbone interact. energy: -0.106 local terms energy: -25.779279 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -3.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -44.168881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.168881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.168881 (E_RNA) where: Base-Base interactions energy: -16.271 where: short stacking energy: -16.271 Base-Backbone interact. energy: -0.000 local terms energy: -27.897728 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -6.167 tors. eta vs tors. theta energy: -1.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -36.074170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.074170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.074170 (E_RNA) where: Base-Base interactions energy: -13.136 where: short stacking energy: -9.826 Base-Backbone interact. energy: -0.497 local terms energy: -22.441410 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -6.204 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -41.681809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.681809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.681809 (E_RNA) where: Base-Base interactions energy: -20.662 where: short stacking energy: -20.662 Base-Backbone interact. energy: -0.000 local terms energy: -21.019375 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.560 flat angles P-C4'-P energy: 1.132 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: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -88.666586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.666586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.666586 (E_RNA) where: Base-Base interactions energy: -65.639 where: short stacking energy: -23.087 Base-Backbone interact. energy: -0.007 local terms energy: -23.021149 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -2.859 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -2.955 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: 2, replica: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -94.031740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.031740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.031740 (E_RNA) where: Base-Base interactions energy: -70.944 where: short stacking energy: -25.602 Base-Backbone interact. energy: -0.016 local terms energy: -23.071582 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.575 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: 0.544 tors. eta vs tors. theta energy: -6.034 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: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -88.638299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.638299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.638299 (E_RNA) where: Base-Base interactions energy: -66.226 where: short stacking energy: -24.039 Base-Backbone interact. energy: -0.007 local terms energy: -22.404913 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -0.488 tors. eta vs tors. theta energy: -4.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -77.925032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.925032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.925032 (E_RNA) where: Base-Base interactions energy: -48.812 where: short stacking energy: -19.278 Base-Backbone interact. energy: -0.001 local terms energy: -29.112183 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -1.671 tors. eta vs tors. theta energy: -6.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -81.787254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.787254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.787254 (E_RNA) where: Base-Base interactions energy: -57.336 where: short stacking energy: -18.430 Base-Backbone interact. energy: -0.027 local terms energy: -24.424696 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -2.117 tors. eta vs tors. theta energy: -3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -46.553884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.553884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.553884 (E_RNA) where: Base-Base interactions energy: -22.095 where: short stacking energy: -22.095 Base-Backbone interact. energy: -0.000 local terms energy: -24.459295 where: bonds (distance) C4'-P energy: -5.003 bonds (distance) P-C4' energy: -0.513 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -6.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -44.829323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.829323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.829323 (E_RNA) where: Base-Base interactions energy: -19.913 where: short stacking energy: -19.913 Base-Backbone interact. energy: -0.002 local terms energy: -24.914385 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -1.996 tors. eta vs tors. theta energy: -5.524 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: 8, replica: 2 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -38.660748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.660748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.660748 (E_RNA) where: Base-Base interactions energy: -12.579 where: short stacking energy: -12.579 Base-Backbone interact. energy: -0.029 local terms energy: -26.052555 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.916 flat angles P-C4'-P energy: -5.745 tors. eta vs tors. theta energy: 0.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -42.299132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.299132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.299132 (E_RNA) where: Base-Base interactions energy: -17.919 where: short stacking energy: -17.919 Base-Backbone interact. energy: -0.000 local terms energy: -24.380489 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -2.793 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: 10, replica: 5 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -36.302091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.302091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.302091 (E_RNA) where: Base-Base interactions energy: -17.014 where: short stacking energy: -14.790 Base-Backbone interact. energy: -0.032 local terms energy: -19.256645 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -2.721 tors. eta vs tors. theta energy: 1.091 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: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -87.762050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.762050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.762050 (E_RNA) where: Base-Base interactions energy: -64.304 where: short stacking energy: -21.585 Base-Backbone interact. energy: -0.017 local terms energy: -23.441287 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: 1.549 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: 2, replica: 3 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -94.157340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.157340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.157340 (E_RNA) where: Base-Base interactions energy: -68.833 where: short stacking energy: -25.913 Base-Backbone interact. energy: -0.015 local terms energy: -25.309398 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: 0.481 tors. eta vs tors. theta energy: -5.594 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: 8 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -89.647407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.647407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.647407 (E_RNA) where: Base-Base interactions energy: -72.064 where: short stacking energy: -29.433 Base-Backbone interact. energy: -0.094 local terms energy: -17.489511 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -1.409 flat angles P-C4'-P energy: 1.167 tors. eta vs tors. theta energy: -4.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -79.025836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.025836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.025836 (E_RNA) where: Base-Base interactions energy: -51.722 where: short stacking energy: -22.722 Base-Backbone interact. energy: -0.001 local terms energy: -27.303333 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -4.546 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: 5, replica: 7 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -85.840203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.840203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.840203 (E_RNA) where: Base-Base interactions energy: -64.240 where: short stacking energy: -23.988 Base-Backbone interact. energy: -0.238 local terms energy: -21.362446 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -5.851 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -0.067 tors. eta vs tors. theta energy: -4.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -49.634280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.634280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.634280 (E_RNA) where: Base-Base interactions energy: -21.737 where: short stacking energy: -21.737 Base-Backbone interact. energy: -0.097 local terms energy: -27.799586 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -5.887 tors. eta vs tors. theta energy: -3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -52.168839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.168839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.168839 (E_RNA) where: Base-Base interactions energy: -23.441 where: short stacking energy: -23.441 Base-Backbone interact. energy: -0.000 local terms energy: -28.728035 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -3.556 tors. eta vs tors. theta energy: -6.497 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: 10 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -46.079398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.079398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.079398 (E_RNA) where: Base-Base interactions energy: -25.211 where: short stacking energy: -8.141 Base-Backbone interact. energy: -0.441 local terms energy: -20.427179 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: 3.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -42.257288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.257288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.257288 (E_RNA) where: Base-Base interactions energy: -16.107 where: short stacking energy: -16.107 Base-Backbone interact. energy: -0.053 local terms energy: -26.098089 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -1.058 tors. eta vs tors. theta energy: -4.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -35.338942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.338942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.338942 (E_RNA) where: Base-Base interactions energy: -15.541 where: short stacking energy: -15.541 Base-Backbone interact. energy: -0.013 local terms energy: -19.785441 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: 2.115 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: 3 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -93.553181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.553181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.553181 (E_RNA) where: Base-Base interactions energy: -69.874 where: short stacking energy: -26.063 Base-Backbone interact. energy: -0.028 local terms energy: -23.651411 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: 1.166 tors. eta vs tors. theta energy: -4.972 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: 6 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -94.716303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.716303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.716303 (E_RNA) where: Base-Base interactions energy: -75.276 where: short stacking energy: -29.245 Base-Backbone interact. energy: -0.001 local terms energy: -19.438600 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -4.799 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: 2.861 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: 3, replica: 1 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -85.245145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.245145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.245145 (E_RNA) where: Base-Base interactions energy: -56.583 where: short stacking energy: -18.467 Base-Backbone interact. energy: -0.000 local terms energy: -28.662074 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -2.477 tors. eta vs tors. theta energy: -5.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -80.503981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.503981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.503981 (E_RNA) where: Base-Base interactions energy: -62.960 where: short stacking energy: -24.347 Base-Backbone interact. energy: -0.110 local terms energy: -17.434181 where: bonds (distance) C4'-P energy: -3.331 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.947 flat angles P-C4'-P energy: 0.268 tors. eta vs tors. theta energy: -4.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -77.532219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.532219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.532219 (E_RNA) where: Base-Base interactions energy: -49.586 where: short stacking energy: -20.900 Base-Backbone interact. energy: -0.006 local terms energy: -27.940078 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -5.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -42.933431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.933431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.933431 (E_RNA) where: Base-Base interactions energy: -17.983 where: short stacking energy: -17.983 Base-Backbone interact. energy: 0.113 local terms energy: -25.063651 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -3.610 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: 10 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -45.502934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.502934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.502934 (E_RNA) where: Base-Base interactions energy: -21.567 where: short stacking energy: -21.567 Base-Backbone interact. energy: -0.000 local terms energy: -23.935515 where: bonds (distance) C4'-P energy: -2.822 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -4.325 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: 4 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -46.371409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.371409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.371409 (E_RNA) where: Base-Base interactions energy: -26.803 where: short stacking energy: -26.803 Base-Backbone interact. energy: -0.003 local terms energy: -19.565589 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -2.570 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -4.172 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: 9, replica: 5 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -38.858720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.858720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.858720 (E_RNA) where: Base-Base interactions energy: -19.058 where: short stacking energy: -10.169 Base-Backbone interact. energy: 0.547 local terms energy: -20.347669 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -4.086 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: 0.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -48.223171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.223171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.223171 (E_RNA) where: Base-Base interactions energy: -22.455 where: short stacking energy: -22.455 Base-Backbone interact. energy: -0.009 local terms energy: -25.759265 where: bonds (distance) C4'-P energy: -3.612 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -6.158 tors. eta vs tors. theta energy: -4.606 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: 3 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -94.332488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.332488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.332488 (E_RNA) where: Base-Base interactions energy: -74.016 where: short stacking energy: -29.795 Base-Backbone interact. energy: -0.004 local terms energy: -20.313099 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.718 flat angles P-C4'-P energy: 2.921 tors. eta vs tors. theta energy: -4.452 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: 6 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -92.808798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.808798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.808798 (E_RNA) where: Base-Base interactions energy: -71.396 where: short stacking energy: -29.032 Base-Backbone interact. energy: -0.007 local terms energy: -21.405399 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.005 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: 1.099 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: 3, replica: 1 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -89.173544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.173544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.173544 (E_RNA) where: Base-Base interactions energy: -61.543 where: short stacking energy: -21.068 Base-Backbone interact. energy: -0.000 local terms energy: -27.629871 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -5.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -84.907261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.907261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.907261 (E_RNA) where: Base-Base interactions energy: -56.285 where: short stacking energy: -25.312 Base-Backbone interact. energy: -0.003 local terms energy: -28.619366 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -4.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -77.457421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.457421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.457421 (E_RNA) where: Base-Base interactions energy: -47.563 where: short stacking energy: -17.162 Base-Backbone interact. energy: -0.786 local terms energy: -29.109061 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -4.307 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: 6, replica: 10 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -44.017404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.017404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.017404 (E_RNA) where: Base-Base interactions energy: -16.166 where: short stacking energy: -16.166 Base-Backbone interact. energy: -0.076 local terms energy: -27.775427 where: bonds (distance) C4'-P energy: -4.465 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -4.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -64.899862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.899862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.899862 (E_RNA) where: Base-Base interactions energy: -44.898 where: short stacking energy: -22.407 Base-Backbone interact. energy: -0.001 local terms energy: -20.001214 where: bonds (distance) C4'-P energy: -2.797 bonds (distance) P-C4' energy: -4.234 flat angles C4'-P-C4' energy: -5.439 flat angles P-C4'-P energy: -3.179 tors. eta vs tors. theta energy: -4.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -39.154237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.154237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.154237 (E_RNA) where: Base-Base interactions energy: -15.948 where: short stacking energy: -15.948 Base-Backbone interact. energy: -0.092 local terms energy: -23.113756 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -2.476 tors. eta vs tors. theta energy: -3.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -48.475001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.475001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.475001 (E_RNA) where: Base-Base interactions energy: -22.445 where: short stacking energy: -22.445 Base-Backbone interact. energy: -0.000 local terms energy: -26.030128 where: bonds (distance) C4'-P energy: -3.744 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -6.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -44.747257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.747257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.747257 (E_RNA) where: Base-Base interactions energy: -18.715 where: short stacking energy: -18.715 Base-Backbone interact. energy: -0.000 local terms energy: -26.031798 where: bonds (distance) C4'-P energy: -2.130 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -5.631 tors. eta vs tors. theta energy: -5.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -92.545510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.545510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.545510 (E_RNA) where: Base-Base interactions energy: -68.086 where: short stacking energy: -24.100 Base-Backbone interact. energy: -0.008 local terms energy: -24.452303 where: bonds (distance) C4'-P energy: -5.735 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.454 flat angles P-C4'-P energy: 0.163 tors. eta vs tors. theta energy: -5.575 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: 3 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -96.735385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.735385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.735385 (E_RNA) where: Base-Base interactions energy: -71.691 where: short stacking energy: -26.641 Base-Backbone interact. energy: -0.004 local terms energy: -25.040300 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -0.889 tors. eta vs tors. theta energy: -4.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -81.058090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.058090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.058090 (E_RNA) where: Base-Base interactions energy: -54.185 where: short stacking energy: -17.281 Base-Backbone interact. energy: -0.002 local terms energy: -26.870999 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.317 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -3.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -53.791254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.791254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.791254 (E_RNA) where: Base-Base interactions energy: -25.760 where: short stacking energy: -25.760 Base-Backbone interact. energy: -0.000 local terms energy: -28.031564 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -7.694 flat angles P-C4'-P energy: -3.044 tors. eta vs tors. theta energy: -7.144 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: 5, replica: 10 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -50.446877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.446877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.446877 (E_RNA) where: Base-Base interactions energy: -22.486 where: short stacking energy: -22.486 Base-Backbone interact. energy: -0.000 local terms energy: -27.961300 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: -6.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -78.770918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.770918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.770918 (E_RNA) where: Base-Base interactions energy: -55.677 where: short stacking energy: -24.667 Base-Backbone interact. energy: -0.000 local terms energy: -23.093674 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.996 tors. eta vs tors. theta energy: -2.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -80.023904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.023904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.023904 (E_RNA) where: Base-Base interactions energy: -54.845 where: short stacking energy: -25.215 Base-Backbone interact. energy: 0.000 local terms energy: -25.179025 where: bonds (distance) C4'-P energy: -3.099 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.039 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -6.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -43.459061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.459061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.459061 (E_RNA) where: Base-Base interactions energy: -19.222 where: short stacking energy: -19.222 Base-Backbone interact. energy: -0.016 local terms energy: -24.220886 where: bonds (distance) C4'-P energy: -5.479 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.913 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -2.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -42.547833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.547833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.547833 (E_RNA) where: Base-Base interactions energy: -26.945 where: short stacking energy: -14.729 Base-Backbone interact. energy: 0.278 local terms energy: -15.880137 where: bonds (distance) C4'-P energy: -4.544 bonds (distance) P-C4' energy: -3.833 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -2.086 tors. eta vs tors. theta energy: -0.776 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: 4 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -38.158681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.158681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.158681 (E_RNA) where: Base-Base interactions energy: -13.527 where: short stacking energy: -13.527 Base-Backbone interact. energy: -0.007 local terms energy: -24.624752 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -1.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -97.209203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.209203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.209203 (E_RNA) where: Base-Base interactions energy: -75.868 where: short stacking energy: -28.091 Base-Backbone interact. energy: -0.001 local terms energy: -21.340831 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: 3.856 tors. eta vs tors. theta energy: -5.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -80.415427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.415427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.415427 (E_RNA) where: Base-Base interactions energy: -53.326 where: short stacking energy: -24.803 Base-Backbone interact. energy: -0.004 local terms energy: -27.085224 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -5.842 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -2.685 tors. eta vs tors. theta energy: -6.467 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: 3 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -78.596259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.596259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.596259 (E_RNA) where: Base-Base interactions energy: -51.808 where: short stacking energy: -23.398 Base-Backbone interact. energy: -0.008 local terms energy: -26.780925 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -4.380 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: 401 Temperature: 1.050000 Total energy: -62.022247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.022247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.022247 (E_RNA) where: Base-Base interactions energy: -43.646 where: short stacking energy: -16.454 Base-Backbone interact. energy: -0.114 local terms energy: -18.261853 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -1.435 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: 1.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -42.978562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.978562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.978562 (E_RNA) where: Base-Base interactions energy: -21.375 where: short stacking energy: -21.375 Base-Backbone interact. energy: -0.000 local terms energy: -21.603311 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -0.343 tors. eta vs tors. theta energy: -3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -76.183180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.183180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.183180 (E_RNA) where: Base-Base interactions energy: -52.780 where: short stacking energy: -20.516 Base-Backbone interact. energy: -1.039 local terms energy: -22.364030 where: bonds (distance) C4'-P energy: -4.345 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -2.310 tors. eta vs tors. theta energy: -3.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -78.833264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.833264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.833264 (E_RNA) where: Base-Base interactions energy: -56.699 where: short stacking energy: -17.035 Base-Backbone interact. energy: -0.036 local terms energy: -22.097754 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.982 flat angles P-C4'-P energy: -0.514 tors. eta vs tors. theta energy: -3.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -47.296556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.296556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.296556 (E_RNA) where: Base-Base interactions energy: -23.703 where: short stacking energy: -19.747 Base-Backbone interact. energy: -0.001 local terms energy: -23.592452 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -3.064 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -3.586 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: 5 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -36.664858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.664858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.664858 (E_RNA) where: Base-Base interactions energy: -14.312 where: short stacking energy: -12.442 Base-Backbone interact. energy: -0.104 local terms energy: -22.248915 where: bonds (distance) C4'-P energy: -5.889 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -1.008 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: 4 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -40.386004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.386004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.386004 (E_RNA) where: Base-Base interactions energy: -17.873 where: short stacking energy: -17.873 Base-Backbone interact. energy: -0.000 local terms energy: -22.512890 where: bonds (distance) C4'-P energy: -4.986 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: -2.195 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: 1 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -89.640186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.640186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.640186 (E_RNA) where: Base-Base interactions energy: -62.274 where: short stacking energy: -20.172 Base-Backbone interact. energy: -0.001 local terms energy: -27.365485 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -4.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -92.384672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.384672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.384672 (E_RNA) where: Base-Base interactions energy: -70.307 where: short stacking energy: -28.698 Base-Backbone interact. energy: -0.002 local terms energy: -22.074973 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: 1.330 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: 3, replica: 3 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -85.644545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.644545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.644545 (E_RNA) where: Base-Base interactions energy: -63.649 where: short stacking energy: -24.534 Base-Backbone interact. energy: -0.128 local terms energy: -21.867959 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -2.891 flat angles P-C4'-P energy: 0.916 tors. eta vs tors. theta energy: -6.375 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: 402 Temperature: 1.050000 Total energy: -61.557513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.557513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.557513 (E_RNA) where: Base-Base interactions energy: -30.135 where: short stacking energy: -26.469 Base-Backbone interact. energy: -0.000 local terms energy: -31.422574 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -6.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -87.223127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.223127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.223127 (E_RNA) where: Base-Base interactions energy: -63.520 where: short stacking energy: -22.037 Base-Backbone interact. energy: -0.009 local terms energy: -23.693849 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: 1.491 tors. eta vs tors. theta energy: -3.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -43.081173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.081173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.081173 (E_RNA) where: Base-Base interactions energy: -21.585 where: short stacking energy: -21.585 Base-Backbone interact. energy: -0.001 local terms energy: -21.495056 where: bonds (distance) C4'-P energy: -4.179 bonds (distance) P-C4' energy: -4.936 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -2.295 tors. eta vs tors. theta energy: -5.690 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: 7, replica: 2 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -72.861827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.861827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.861827 (E_RNA) where: Base-Base interactions energy: -46.326 where: short stacking energy: -19.125 Base-Backbone interact. energy: -0.001 local terms energy: -26.534164 where: bonds (distance) C4'-P energy: -7.226 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -3.000 tors. eta vs tors. theta energy: -2.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -49.171101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.171101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.171101 (E_RNA) where: Base-Base interactions energy: -23.831 where: short stacking energy: -23.831 Base-Backbone interact. energy: 1.111 local terms energy: -26.451714 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -4.767 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: 9, replica: 4 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -45.205774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.205774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.205774 (E_RNA) where: Base-Base interactions energy: -19.834 where: short stacking energy: -19.834 Base-Backbone interact. energy: -0.000 local terms energy: -25.371207 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -2.865 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: 10, replica: 5 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -40.443371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.443371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.443371 (E_RNA) where: Base-Base interactions energy: -14.511 where: short stacking energy: -14.511 Base-Backbone interact. energy: -0.002 local terms energy: -25.930287 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -0.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -91.837324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.837324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.837324 (E_RNA) where: Base-Base interactions energy: -66.815 where: short stacking energy: -24.215 Base-Backbone interact. energy: -0.000 local terms energy: -25.021744 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -86.701246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.701246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.701246 (E_RNA) where: Base-Base interactions energy: -66.411 where: short stacking energy: -27.560 Base-Backbone interact. energy: -0.016 local terms energy: -20.274665 where: bonds (distance) C4'-P energy: -5.533 bonds (distance) P-C4' energy: -6.332 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: 2.105 tors. eta vs tors. theta energy: -4.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -83.144116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.144116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.144116 (E_RNA) where: Base-Base interactions energy: -57.046 where: short stacking energy: -23.285 Base-Backbone interact. energy: -0.588 local terms energy: -25.510453 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -0.572 tors. eta vs tors. theta energy: -5.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -78.549331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.549331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.549331 (E_RNA) where: Base-Base interactions energy: -59.197 where: short stacking energy: -25.160 Base-Backbone interact. energy: -0.001 local terms energy: -19.351638 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: 0.619 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -53.514296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.514296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.514296 (E_RNA) where: Base-Base interactions energy: -29.433 where: short stacking energy: -29.433 Base-Backbone interact. energy: -0.000 local terms energy: -24.081271 where: bonds (distance) C4'-P energy: -2.565 bonds (distance) P-C4' energy: -5.219 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -2.529 tors. eta vs tors. theta energy: -7.827 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: 6, replica: 2 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -77.327433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.327433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.327433 (E_RNA) where: Base-Base interactions energy: -53.058 where: short stacking energy: -18.069 Base-Backbone interact. energy: -0.013 local terms energy: -24.256145 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -1.225 tors. eta vs tors. theta energy: -4.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -57.585273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.585273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.585273 (E_RNA) where: Base-Base interactions energy: -26.118 where: short stacking energy: -26.118 Base-Backbone interact. energy: -0.000 local terms energy: -31.466755 where: bonds (distance) C4'-P energy: -7.139 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -2.876 tors. eta vs tors. theta energy: -7.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -52.738599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.738599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.738599 (E_RNA) where: Base-Base interactions energy: -26.046 where: short stacking energy: -24.424 Base-Backbone interact. energy: -0.001 local terms energy: -26.691438 where: bonds (distance) C4'-P energy: -4.618 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -6.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -40.259528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.259528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.259528 (E_RNA) where: Base-Base interactions energy: -14.991 where: short stacking energy: -14.991 Base-Backbone interact. energy: -0.006 local terms energy: -25.262572 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -5.710 tors. eta vs tors. theta energy: -1.517 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: 5 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -38.042337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.042337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.042337 (E_RNA) where: Base-Base interactions energy: -15.584 where: short stacking energy: -15.584 Base-Backbone interact. energy: -0.216 local terms energy: -22.243181 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -0.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -86.091866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.091866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.091866 (E_RNA) where: Base-Base interactions energy: -64.951 where: short stacking energy: -24.053 Base-Backbone interact. energy: -0.001 local terms energy: -21.140569 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: 0.592 tors. eta vs tors. theta energy: -5.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -84.710766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.710766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.710766 (E_RNA) where: Base-Base interactions energy: -57.997 where: short stacking energy: -20.910 Base-Backbone interact. energy: -0.001 local terms energy: -26.713160 where: bonds (distance) C4'-P energy: -7.425 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -1.961 tors. eta vs tors. theta energy: -3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -83.014163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.014163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.014163 (E_RNA) where: Base-Base interactions energy: -54.027 where: short stacking energy: -20.457 Base-Backbone interact. energy: -0.000 local terms energy: -28.986936 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -6.533 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -4.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -79.147387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.147387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.147387 (E_RNA) where: Base-Base interactions energy: -56.991 where: short stacking energy: -19.993 Base-Backbone interact. energy: -0.001 local terms energy: -22.155907 where: bonds (distance) C4'-P energy: -3.823 bonds (distance) P-C4' energy: -5.033 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -0.968 tors. eta vs tors. theta energy: -6.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -80.133978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.133978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.133978 (E_RNA) where: Base-Base interactions energy: -52.572 where: short stacking energy: -24.465 Base-Backbone interact. energy: -0.229 local terms energy: -27.333116 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -4.688 flat angles P-C4'-P energy: -3.592 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: 6, replica: 10 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -52.054043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.054043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.054043 (E_RNA) where: Base-Base interactions energy: -25.973 where: short stacking energy: -25.973 Base-Backbone interact. energy: -0.002 local terms energy: -26.079566 where: bonds (distance) C4'-P energy: -3.401 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -2.613 tors. eta vs tors. theta energy: -7.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -50.842867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.842867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.842867 (E_RNA) where: Base-Base interactions energy: -27.480 where: short stacking energy: -21.767 Base-Backbone interact. energy: -0.076 local terms energy: -23.287067 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -3.930 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -2.762 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -46.572762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.572762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.572762 (E_RNA) where: Base-Base interactions energy: -21.210 where: short stacking energy: -21.210 Base-Backbone interact. energy: -0.003 local terms energy: -25.360300 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.755 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -3.958 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: 5 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -39.172608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.172608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.172608 (E_RNA) where: Base-Base interactions energy: -18.169 where: short stacking energy: -11.410 Base-Backbone interact. energy: -0.122 local terms energy: -20.882141 where: bonds (distance) C4'-P energy: -5.276 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: 1.415 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: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -41.925401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.925401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.925401 (E_RNA) where: Base-Base interactions energy: -18.224 where: short stacking energy: -18.224 Base-Backbone interact. energy: -0.001 local terms energy: -23.700964 where: bonds (distance) C4'-P energy: -4.075 bonds (distance) P-C4' energy: -5.980 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: -5.683 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: 3 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -86.326714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.326714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.326714 (E_RNA) where: Base-Base interactions energy: -62.053 where: short stacking energy: -20.772 Base-Backbone interact. energy: -0.001 local terms energy: -24.272878 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -3.657 flat angles P-C4'-P energy: -0.300 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: 2, replica: 1 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -86.442292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.442292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.442292 (E_RNA) where: Base-Base interactions energy: -64.958 where: short stacking energy: -24.783 Base-Backbone interact. energy: -0.022 local terms energy: -21.462389 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: 0.830 tors. eta vs tors. theta energy: -3.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -77.745098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.745098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.745098 (E_RNA) where: Base-Base interactions energy: -53.184 where: short stacking energy: -20.156 Base-Backbone interact. energy: -0.110 local terms energy: -24.451587 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -0.117 tors. eta vs tors. theta energy: -5.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -86.997786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.997786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.997786 (E_RNA) where: Base-Base interactions energy: -59.356 where: short stacking energy: -24.015 Base-Backbone interact. energy: -0.005 local terms energy: -27.636789 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -5.578 flat angles C4'-P-C4' energy: -4.450 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -6.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -82.811725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.811725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.811725 (E_RNA) where: Base-Base interactions energy: -52.852 where: short stacking energy: -21.967 Base-Backbone interact. energy: -0.001 local terms energy: -29.959385 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -4.673 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: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -46.279932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.279932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.279932 (E_RNA) where: Base-Base interactions energy: -21.816 where: short stacking energy: -21.816 Base-Backbone interact. energy: -0.000 local terms energy: -24.463644 where: bonds (distance) C4'-P energy: -4.092 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -2.491 tors. eta vs tors. theta energy: -4.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -44.947189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.947189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.947189 (E_RNA) where: Base-Base interactions energy: -20.176 where: short stacking energy: -20.176 Base-Backbone interact. energy: -0.000 local terms energy: -24.770943 where: bonds (distance) C4'-P energy: -3.496 bonds (distance) P-C4' energy: -5.967 flat angles C4'-P-C4' energy: -5.193 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -4.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -55.552851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.552851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.552851 (E_RNA) where: Base-Base interactions energy: -25.628 where: short stacking energy: -25.628 Base-Backbone interact. energy: -0.000 local terms energy: -29.924008 where: bonds (distance) C4'-P energy: -4.978 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -6.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -42.750027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.750027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.750027 (E_RNA) where: Base-Base interactions energy: -18.126 where: short stacking energy: -18.005 Base-Backbone interact. energy: -0.000 local terms energy: -24.623735 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -6.945 flat angles P-C4'-P energy: -2.715 tors. eta vs tors. theta energy: -2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -43.266102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.266102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.266102 (E_RNA) where: Base-Base interactions energy: -14.923 where: short stacking energy: -14.923 Base-Backbone interact. energy: -0.013 local terms energy: -28.330107 where: bonds (distance) C4'-P energy: -6.025 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -5.977 tors. eta vs tors. theta energy: -4.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -83.176835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.176835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.176835 (E_RNA) where: Base-Base interactions energy: -55.408 where: short stacking energy: -24.730 Base-Backbone interact. energy: -0.045 local terms energy: -27.723848 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.139 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -1.510 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: 2, replica: 3 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -87.682568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.682568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.682568 (E_RNA) where: Base-Base interactions energy: -65.742 where: short stacking energy: -25.538 Base-Backbone interact. energy: -0.181 local terms energy: -21.759889 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.229 flat angles P-C4'-P energy: 0.820 tors. eta vs tors. theta energy: -5.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -87.370538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.370538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.370538 (E_RNA) where: Base-Base interactions energy: -63.263 where: short stacking energy: -23.895 Base-Backbone interact. energy: -0.001 local terms energy: -24.106400 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.454 flat angles P-C4'-P energy: -0.864 tors. eta vs tors. theta energy: -2.793 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: 9 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -77.650045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.650045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.650045 (E_RNA) where: Base-Base interactions energy: -49.816 where: short stacking energy: -19.024 Base-Backbone interact. energy: -0.002 local terms energy: -27.832621 where: bonds (distance) C4'-P energy: -4.783 bonds (distance) P-C4' energy: -6.315 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -5.248 tors. eta vs tors. theta energy: -4.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -74.619763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.619763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.619763 (E_RNA) where: Base-Base interactions energy: -51.439 where: short stacking energy: -23.158 Base-Backbone interact. energy: -0.000 local terms energy: -23.180490 where: bonds (distance) C4'-P energy: -3.004 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -2.826 tors. eta vs tors. theta energy: -4.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -42.371555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.371555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.371555 (E_RNA) where: Base-Base interactions energy: -18.728 where: short stacking energy: -18.728 Base-Backbone interact. energy: -0.084 local terms energy: -23.559173 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -5.548 tors. eta vs tors. theta energy: -0.782 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: 7, replica: 5 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -43.964307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.964307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.964307 (E_RNA) where: Base-Base interactions energy: -20.568 where: short stacking energy: -20.568 Base-Backbone interact. energy: -0.000 local terms energy: -23.396683 where: bonds (distance) C4'-P energy: -4.076 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -4.009 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: 10 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -51.102547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.102547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.102547 (E_RNA) where: Base-Base interactions energy: -29.703 where: short stacking energy: -13.959 Base-Backbone interact. energy: -0.002 local terms energy: -21.397851 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -1.965 tors. eta vs tors. theta energy: -0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -41.566876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.566876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.566876 (E_RNA) where: Base-Base interactions energy: -20.223 where: short stacking energy: -19.301 Base-Backbone interact. energy: -0.000 local terms energy: -21.343578 where: bonds (distance) C4'-P energy: -3.418 bonds (distance) P-C4' energy: -3.830 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -4.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -40.354516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.354516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.354516 (E_RNA) where: Base-Base interactions energy: -13.419 where: short stacking energy: -13.419 Base-Backbone interact. energy: -0.096 local terms energy: -26.840026 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -2.864 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: 1, replica: 1 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -88.645836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.645836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.645836 (E_RNA) where: Base-Base interactions energy: -62.967 where: short stacking energy: -22.528 Base-Backbone interact. energy: 0.283 local terms energy: -25.961939 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -2.169 tors. eta vs tors. theta energy: -4.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -88.701921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.701921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.701921 (E_RNA) where: Base-Base interactions energy: -64.749 where: short stacking energy: -22.137 Base-Backbone interact. energy: -0.011 local terms energy: -23.942156 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: 0.395 tors. eta vs tors. theta energy: -5.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -79.776958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.776958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.776958 (E_RNA) where: Base-Base interactions energy: -51.450 where: short stacking energy: -19.688 Base-Backbone interact. energy: -0.046 local terms energy: -28.280731 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -4.417 tors. eta vs tors. theta energy: -4.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -80.235185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.235185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.235185 (E_RNA) where: Base-Base interactions energy: -53.033 where: short stacking energy: -22.918 Base-Backbone interact. energy: 0.397 local terms energy: -27.598811 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -4.131 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: 407 Temperature: 1.100000 Total energy: -78.768442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.768442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.768442 (E_RNA) where: Base-Base interactions energy: -53.209 where: short stacking energy: -23.773 Base-Backbone interact. energy: -0.003 local terms energy: -25.556307 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -3.485 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -3.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -47.120510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.120510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.120510 (E_RNA) where: Base-Base interactions energy: -19.655 where: short stacking energy: -19.655 Base-Backbone interact. energy: -0.000 local terms energy: -27.465300 where: bonds (distance) C4'-P energy: -6.381 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -4.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -42.154030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.154030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.154030 (E_RNA) where: Base-Base interactions energy: -21.170 where: short stacking energy: -16.372 Base-Backbone interact. energy: -0.223 local terms energy: -20.760926 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: 0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -41.893785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.893785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.893785 (E_RNA) where: Base-Base interactions energy: -15.500 where: short stacking energy: -15.500 Base-Backbone interact. energy: -0.122 local terms energy: -26.272356 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: 0.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -48.403290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.403290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.403290 (E_RNA) where: Base-Base interactions energy: -25.757 where: short stacking energy: -25.757 Base-Backbone interact. energy: -0.000 local terms energy: -22.645854 where: bonds (distance) C4'-P energy: -5.062 bonds (distance) P-C4' energy: -6.232 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: 0.629 tors. eta vs tors. theta energy: -6.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -38.175095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.175095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.175095 (E_RNA) where: Base-Base interactions energy: -14.281 where: short stacking energy: -14.281 Base-Backbone interact. energy: -0.010 local terms energy: -23.884278 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -1.011 tors. eta vs tors. theta energy: -2.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -96.268969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.268969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.268969 (E_RNA) where: Base-Base interactions energy: -73.371 where: short stacking energy: -28.566 Base-Backbone interact. energy: -0.065 local terms energy: -22.833578 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: 0.990 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -89.836544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.836544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.836544 (E_RNA) where: Base-Base interactions energy: -61.464 where: short stacking energy: -24.226 Base-Backbone interact. energy: -0.001 local terms energy: -28.371368 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -2.686 tors. eta vs tors. theta energy: -5.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -87.934450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.934450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.934450 (E_RNA) where: Base-Base interactions energy: -63.062 where: short stacking energy: -23.732 Base-Backbone interact. energy: -0.501 local terms energy: -24.371431 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.038 flat angles P-C4'-P energy: -0.882 tors. eta vs tors. theta energy: -6.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -76.259479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.259479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.259479 (E_RNA) where: Base-Base interactions energy: -49.194 where: short stacking energy: -19.747 Base-Backbone interact. energy: -0.340 local terms energy: -26.724898 where: bonds (distance) C4'-P energy: -4.862 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -4.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -78.936246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.936246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.936246 (E_RNA) where: Base-Base interactions energy: -49.271 where: short stacking energy: -19.504 Base-Backbone interact. energy: -0.006 local terms energy: -29.659091 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -3.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -81.897193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.897193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.897193 (E_RNA) where: Base-Base interactions energy: -54.115 where: short stacking energy: -24.245 Base-Backbone interact. energy: -0.001 local terms energy: -27.781649 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -1.629 tors. eta vs tors. theta energy: -7.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -49.069670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.069670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.069670 (E_RNA) where: Base-Base interactions energy: -22.432 where: short stacking energy: -22.432 Base-Backbone interact. energy: -0.000 local terms energy: -26.637876 where: bonds (distance) C4'-P energy: -5.032 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -41.506912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.506912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.506912 (E_RNA) where: Base-Base interactions energy: -17.695 where: short stacking energy: -17.695 Base-Backbone interact. energy: -0.095 local terms energy: -23.717257 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -2.036 tors. eta vs tors. theta energy: -2.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -40.709908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.709908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.709908 (E_RNA) where: Base-Base interactions energy: -16.466 where: short stacking energy: -16.466 Base-Backbone interact. energy: -0.000 local terms energy: -24.244002 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -3.040 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -37.566385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.566385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.566385 (E_RNA) where: Base-Base interactions energy: -14.687 where: short stacking energy: -4.603 Base-Backbone interact. energy: 0.318 local terms energy: -23.197622 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.360 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -81.290766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.290766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.290766 (E_RNA) where: Base-Base interactions energy: -52.105 where: short stacking energy: -24.259 Base-Backbone interact. energy: -0.001 local terms energy: -29.184645 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -4.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -90.993532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.993532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.993532 (E_RNA) where: Base-Base interactions energy: -67.157 where: short stacking energy: -26.024 Base-Backbone interact. energy: -0.005 local terms energy: -23.830920 where: bonds (distance) C4'-P energy: -4.738 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -1.237 tors. eta vs tors. theta energy: -5.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -88.904391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.904391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.904391 (E_RNA) where: Base-Base interactions energy: -68.519 where: short stacking energy: -26.354 Base-Backbone interact. energy: -0.013 local terms energy: -20.371730 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: 1.835 tors. eta vs tors. theta energy: -4.921 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: 9 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -85.968655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.968655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.968655 (E_RNA) where: Base-Base interactions energy: -65.674 where: short stacking energy: -23.570 Base-Backbone interact. energy: -0.002 local terms energy: -20.293276 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: 2.959 tors. eta vs tors. theta energy: -3.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -77.528789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.528789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.528789 (E_RNA) where: Base-Base interactions energy: -54.967 where: short stacking energy: -25.368 Base-Backbone interact. energy: -0.001 local terms energy: -22.561164 where: bonds (distance) C4'-P energy: -3.690 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -5.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -78.010434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.010434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.010434 (E_RNA) where: Base-Base interactions energy: -52.047 where: short stacking energy: -21.899 Base-Backbone interact. energy: -0.002 local terms energy: -25.961309 where: bonds (distance) C4'-P energy: -6.481 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -2.413 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -6.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -49.110717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.110717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.110717 (E_RNA) where: Base-Base interactions energy: -24.410 where: short stacking energy: -24.410 Base-Backbone interact. energy: 0.179 local terms energy: -24.878897 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -2.373 tors. eta vs tors. theta energy: -2.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -46.901212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.901212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.901212 (E_RNA) where: Base-Base interactions energy: -22.566 where: short stacking energy: -22.566 Base-Backbone interact. energy: -0.000 local terms energy: -24.335614 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -3.986 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -1.810 tors. eta vs tors. theta energy: -5.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -39.113085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.113085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.113085 (E_RNA) where: Base-Base interactions energy: -18.054 where: short stacking energy: -8.903 Base-Backbone interact. energy: -0.010 local terms energy: -21.049248 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -3.311 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -2.670 tors. eta vs tors. theta energy: -1.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -41.970708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.970708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.970708 (E_RNA) where: Base-Base interactions energy: -14.062 where: short stacking energy: -14.062 Base-Backbone interact. energy: -0.031 local terms energy: -27.878125 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.023 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -89.231562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.231562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.231562 (E_RNA) where: Base-Base interactions energy: -65.644 where: short stacking energy: -25.295 Base-Backbone interact. energy: -0.000 local terms energy: -23.587242 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.510 flat angles P-C4'-P energy: -1.860 tors. eta vs tors. theta energy: -2.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -84.001379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.001379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.001379 (E_RNA) where: Base-Base interactions energy: -52.608 where: short stacking energy: -21.822 Base-Backbone interact. energy: -0.001 local terms energy: -31.392736 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.582 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -5.520 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: 9 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -92.567103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.567103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.567103 (E_RNA) where: Base-Base interactions energy: -70.903 where: short stacking energy: -28.350 Base-Backbone interact. energy: -0.022 local terms energy: -21.642092 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: 0.208 tors. eta vs tors. theta energy: -4.950 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: 4, replica: 1 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -89.430696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.430696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.430696 (E_RNA) where: Base-Base interactions energy: -65.444 where: short stacking energy: -27.566 Base-Backbone interact. energy: -0.020 local terms energy: -23.966438 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.992 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -0.779 tors. eta vs tors. theta energy: -4.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -86.251000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.251000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.251000 (E_RNA) where: Base-Base interactions energy: -63.744 where: short stacking energy: -22.446 Base-Backbone interact. energy: -0.012 local terms energy: -22.495739 where: bonds (distance) C4'-P energy: -4.837 bonds (distance) P-C4' energy: -6.301 flat angles C4'-P-C4' energy: -4.982 flat angles P-C4'-P energy: -0.654 tors. eta vs tors. theta energy: -5.721 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: 6, replica: 2 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -79.050467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.050467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.050467 (E_RNA) where: Base-Base interactions energy: -59.344 where: short stacking energy: -19.608 Base-Backbone interact. energy: -0.000 local terms energy: -19.706295 where: bonds (distance) C4'-P energy: -6.000 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: 0.366 tors. eta vs tors. theta energy: -2.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -51.970161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.970161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.970161 (E_RNA) where: Base-Base interactions energy: -25.418 where: short stacking energy: -22.911 Base-Backbone interact. energy: -0.012 local terms energy: -26.540735 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -4.400 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -3.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -39.316547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.316547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.316547 (E_RNA) where: Base-Base interactions energy: -17.254 where: short stacking energy: -17.254 Base-Backbone interact. energy: -0.027 local terms energy: -22.035053 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -3.300 tors. eta vs tors. theta energy: -0.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -51.500199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.500199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.500199 (E_RNA) where: Base-Base interactions energy: -23.666 where: short stacking energy: -23.666 Base-Backbone interact. energy: -0.035 local terms energy: -27.799869 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -1.102 tors. eta vs tors. theta energy: -6.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -42.158268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.158268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.158268 (E_RNA) where: Base-Base interactions energy: -19.331 where: short stacking energy: -19.331 Base-Backbone interact. energy: -0.000 local terms energy: -22.827061 where: bonds (distance) C4'-P energy: -2.460 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -2.603 tors. eta vs tors. theta energy: -3.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -93.439499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.439499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.439499 (E_RNA) where: Base-Base interactions energy: -64.484 where: short stacking energy: -23.731 Base-Backbone interact. energy: -0.001 local terms energy: -28.954478 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -2.745 tors. eta vs tors. theta energy: -5.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -96.222727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.222727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.222727 (E_RNA) where: Base-Base interactions energy: -74.397 where: short stacking energy: -27.433 Base-Backbone interact. energy: -0.016 local terms energy: -21.810531 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -3.676 flat angles P-C4'-P energy: 0.574 tors. eta vs tors. theta energy: -4.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -81.974895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.974895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.974895 (E_RNA) where: Base-Base interactions energy: -52.668 where: short stacking energy: -19.480 Base-Backbone interact. energy: -0.080 local terms energy: -29.227210 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -4.680 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: 4, replica: 5 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -82.312942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.312942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.312942 (E_RNA) where: Base-Base interactions energy: -55.726 where: short stacking energy: -25.928 Base-Backbone interact. energy: -0.000 local terms energy: -26.587165 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.495 flat angles C4'-P-C4' energy: -4.035 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -6.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -82.300305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.300305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.300305 (E_RNA) where: Base-Base interactions energy: -59.876 where: short stacking energy: -21.204 Base-Backbone interact. energy: -0.049 local terms energy: -22.375250 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -1.358 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -5.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -75.589005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.589005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.589005 (E_RNA) where: Base-Base interactions energy: -48.675 where: short stacking energy: -18.478 Base-Backbone interact. energy: -0.000 local terms energy: -26.913900 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.983 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -4.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -44.994991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.994991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.994991 (E_RNA) where: Base-Base interactions energy: -18.889 where: short stacking energy: -18.889 Base-Backbone interact. energy: -0.100 local terms energy: -26.006466 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -3.584 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -5.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -47.160174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.160174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.160174 (E_RNA) where: Base-Base interactions energy: -18.250 where: short stacking energy: -18.250 Base-Backbone interact. energy: -0.000 local terms energy: -28.909734 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -6.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -42.975256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.975256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.975256 (E_RNA) where: Base-Base interactions energy: -17.494 where: short stacking energy: -17.494 Base-Backbone interact. energy: -0.000 local terms energy: -25.481109 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: -1.904 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: 8 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -47.325765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.325765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.325765 (E_RNA) where: Base-Base interactions energy: -21.472 where: short stacking energy: -21.472 Base-Backbone interact. energy: -0.000 local terms energy: -25.853015 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: 0.056 tors. eta vs tors. theta energy: -7.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -95.252520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.252520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.252520 (E_RNA) where: Base-Base interactions energy: -75.061 where: short stacking energy: -28.066 Base-Backbone interact. energy: -0.507 local terms energy: -19.684478 where: bonds (distance) C4'-P energy: -4.464 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -3.310 flat angles P-C4'-P energy: 0.258 tors. eta vs tors. theta energy: -5.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -89.809095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.809095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.809095 (E_RNA) where: Base-Base interactions energy: -62.441 where: short stacking energy: -24.515 Base-Backbone interact. energy: -0.001 local terms energy: -27.367050 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -2.175 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -80.654128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.654128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.654128 (E_RNA) where: Base-Base interactions energy: -60.467 where: short stacking energy: -22.023 Base-Backbone interact. energy: -0.000 local terms energy: -20.187465 where: bonds (distance) C4'-P energy: -4.014 bonds (distance) P-C4' energy: -5.865 flat angles C4'-P-C4' energy: -4.067 flat angles P-C4'-P energy: -2.426 tors. eta vs tors. theta energy: -3.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -92.121438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.121438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.121438 (E_RNA) where: Base-Base interactions energy: -71.386 where: short stacking energy: -27.100 Base-Backbone interact. energy: -0.005 local terms energy: -20.730394 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: 2.993 tors. eta vs tors. theta energy: -5.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -81.880553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.880553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.880553 (E_RNA) where: Base-Base interactions energy: -59.597 where: short stacking energy: -21.848 Base-Backbone interact. energy: -0.038 local terms energy: -22.245509 where: bonds (distance) C4'-P energy: -3.736 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -0.588 tors. eta vs tors. theta energy: -6.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -79.395487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.395487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.395487 (E_RNA) where: Base-Base interactions energy: -56.482 where: short stacking energy: -20.967 Base-Backbone interact. energy: 0.212 local terms energy: -23.125730 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -3.684 tors. eta vs tors. theta energy: -0.308 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: 10 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -51.202082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.202082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.202082 (E_RNA) where: Base-Base interactions energy: -22.297 where: short stacking energy: -22.297 Base-Backbone interact. energy: -0.000 local terms energy: -28.904875 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -5.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -45.525160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.525160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.525160 (E_RNA) where: Base-Base interactions energy: -21.618 where: short stacking energy: -21.618 Base-Backbone interact. energy: -0.000 local terms energy: -23.906581 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -4.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -76.336714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.336714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.336714 (E_RNA) where: Base-Base interactions energy: -58.929 where: short stacking energy: -17.654 Base-Backbone interact. energy: 0.690 local terms energy: -18.097548 where: bonds (distance) C4'-P energy: -2.167 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.278 flat angles P-C4'-P energy: -3.311 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: 10, replica: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -39.675500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.675500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.675500 (E_RNA) where: Base-Base interactions energy: -16.730 where: short stacking energy: -16.730 Base-Backbone interact. energy: -0.000 local terms energy: -22.945488 where: bonds (distance) C4'-P energy: -4.064 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -1.884 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: 1, replica: 9 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -93.361852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.361852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.361852 (E_RNA) where: Base-Base interactions energy: -74.207 where: short stacking energy: -29.053 Base-Backbone interact. energy: -0.022 local terms energy: -19.132288 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.431 flat angles P-C4'-P energy: 2.631 tors. eta vs tors. theta energy: -3.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -84.409500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.409500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.409500 (E_RNA) where: Base-Base interactions energy: -59.295 where: short stacking energy: -20.272 Base-Backbone interact. energy: -0.543 local terms energy: -24.570890 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -0.081 tors. eta vs tors. theta energy: -6.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -90.963949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.963949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.963949 (E_RNA) where: Base-Base interactions energy: -68.828 where: short stacking energy: -25.820 Base-Backbone interact. energy: -0.001 local terms energy: -22.135406 where: bonds (distance) C4'-P energy: -2.776 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: 1.024 tors. eta vs tors. theta energy: -6.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -88.027005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.027005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.027005 (E_RNA) where: Base-Base interactions energy: -64.650 where: short stacking energy: -22.485 Base-Backbone interact. energy: -0.127 local terms energy: -23.250035 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -1.001 tors. eta vs tors. theta energy: -6.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -75.422450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.422450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.422450 (E_RNA) where: Base-Base interactions energy: -50.195 where: short stacking energy: -19.394 Base-Backbone interact. energy: -0.503 local terms energy: -24.724131 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -4.557 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: 6, replica: 2 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -77.016171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.016171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.016171 (E_RNA) where: Base-Base interactions energy: -54.207 where: short stacking energy: -19.528 Base-Backbone interact. energy: -0.081 local terms energy: -22.727835 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.511 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -1.321 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -42.437206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.437206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.437206 (E_RNA) where: Base-Base interactions energy: -16.507 where: short stacking energy: -16.507 Base-Backbone interact. energy: -0.015 local terms energy: -25.914855 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -3.641 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: 8, replica: 8 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -74.850586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.850586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.850586 (E_RNA) where: Base-Base interactions energy: -51.828 where: short stacking energy: -20.339 Base-Backbone interact. energy: -0.008 local terms energy: -23.014754 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -1.759 tors. eta vs tors. theta energy: -2.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -39.544107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.544107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.544107 (E_RNA) where: Base-Base interactions energy: -21.074 where: short stacking energy: -16.466 Base-Backbone interact. energy: -0.001 local terms energy: -18.469258 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -3.719 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: 0.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -36.772061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.772061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.772061 (E_RNA) where: Base-Base interactions energy: -14.225 where: short stacking energy: -14.225 Base-Backbone interact. energy: -0.026 local terms energy: -22.521623 where: bonds (distance) C4'-P energy: -4.519 bonds (distance) P-C4' energy: -4.114 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -5.285 tors. eta vs tors. theta energy: -2.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -95.815850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.815850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.815850 (E_RNA) where: Base-Base interactions energy: -73.509 where: short stacking energy: -27.547 Base-Backbone interact. energy: -0.320 local terms energy: -21.987603 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: 3.788 tors. eta vs tors. theta energy: -7.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -89.718823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.718823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.718823 (E_RNA) where: Base-Base interactions energy: -63.734 where: short stacking energy: -21.567 Base-Backbone interact. energy: -0.004 local terms energy: -25.980211 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -0.354 tors. eta vs tors. theta energy: -6.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -82.327945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.327945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.327945 (E_RNA) where: Base-Base interactions energy: -60.597 where: short stacking energy: -20.239 Base-Backbone interact. energy: -0.002 local terms energy: -21.728587 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -3.497 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -1.165 tors. eta vs tors. theta energy: -5.340 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: 414 Temperature: 1.050000 Total energy: -82.067605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.067605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.067605 (E_RNA) where: Base-Base interactions energy: -58.016 where: short stacking energy: -21.638 Base-Backbone interact. energy: -0.006 local terms energy: -24.046059 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -3.044 tors. eta vs tors. theta energy: -1.719 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: 5, replica: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -81.203282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.203282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.203282 (E_RNA) where: Base-Base interactions energy: -61.219 where: short stacking energy: -22.051 Base-Backbone interact. energy: -0.000 local terms energy: -19.983750 where: bonds (distance) C4'-P energy: -3.812 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -3.451 flat angles P-C4'-P energy: -2.795 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -79.080278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.080278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.080278 (E_RNA) where: Base-Base interactions energy: -52.401 where: short stacking energy: -22.373 Base-Backbone interact. energy: -0.003 local terms energy: -26.676817 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -5.153 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: 7, replica: 8 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -39.240462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.240462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.240462 (E_RNA) where: Base-Base interactions energy: -15.951 where: short stacking energy: -15.951 Base-Backbone interact. energy: -0.072 local terms energy: -23.218017 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -4.356 tors. eta vs tors. theta energy: -0.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -40.627784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.627784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.627784 (E_RNA) where: Base-Base interactions energy: -15.736 where: short stacking energy: -15.736 Base-Backbone interact. energy: -0.000 local terms energy: -24.891757 where: bonds (distance) C4'-P energy: -3.816 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -3.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -43.076849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.076849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.076849 (E_RNA) where: Base-Base interactions energy: -24.136 where: short stacking energy: -9.117 Base-Backbone interact. energy: -0.009 local terms energy: -18.931980 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -4.526 flat angles P-C4'-P energy: -0.739 tors. eta vs tors. theta energy: -1.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -35.935666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.935666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.935666 (E_RNA) where: Base-Base interactions energy: -9.730 where: short stacking energy: -8.552 Base-Backbone interact. energy: -0.043 local terms energy: -26.163291 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -3.980 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: 1, replica: 9 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -91.277295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.277295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.277295 (E_RNA) where: Base-Base interactions energy: -70.760 where: short stacking energy: -26.412 Base-Backbone interact. energy: -0.003 local terms energy: -20.515117 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: 4.450 tors. eta vs tors. theta energy: -6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -79.656982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.656982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.656982 (E_RNA) where: Base-Base interactions energy: -53.321 where: short stacking energy: -21.611 Base-Backbone interact. energy: 0.317 local terms energy: -26.652889 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -7.355 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -3.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -88.724416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.724416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.724416 (E_RNA) where: Base-Base interactions energy: -62.851 where: short stacking energy: -22.557 Base-Backbone interact. energy: -0.282 local terms energy: -25.591604 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -1.309 tors. eta vs tors. theta energy: -7.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -82.011837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.011837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.011837 (E_RNA) where: Base-Base interactions energy: -54.114 where: short stacking energy: -24.111 Base-Backbone interact. energy: -0.031 local terms energy: -27.866826 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -6.458 flat angles C4'-P-C4' energy: -5.051 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -5.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -80.452116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.452116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.452116 (E_RNA) where: Base-Base interactions energy: -52.771 where: short stacking energy: -22.083 Base-Backbone interact. energy: -0.000 local terms energy: -27.681074 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -4.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -53.688482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.688482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.688482 (E_RNA) where: Base-Base interactions energy: -27.882 where: short stacking energy: -20.108 Base-Backbone interact. energy: -0.043 local terms energy: -25.763900 where: bonds (distance) C4'-P energy: -6.332 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -4.292 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: 7, replica: 5 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -79.432285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.432285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.432285 (E_RNA) where: Base-Base interactions energy: -55.148 where: short stacking energy: -19.032 Base-Backbone interact. energy: -0.007 local terms energy: -24.278048 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -1.482 tors. eta vs tors. theta energy: -3.358 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: 4 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -48.470032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.470032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.470032 (E_RNA) where: Base-Base interactions energy: -22.228 where: short stacking energy: -22.228 Base-Backbone interact. energy: -0.001 local terms energy: -26.241148 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: -5.623 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: 10 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -47.407807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.407807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.407807 (E_RNA) where: Base-Base interactions energy: -18.819 where: short stacking energy: -18.819 Base-Backbone interact. energy: -0.096 local terms energy: -28.492710 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -4.320 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: 7 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -35.422072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.422072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.422072 (E_RNA) where: Base-Base interactions energy: -11.601 where: short stacking energy: -11.601 Base-Backbone interact. energy: -0.001 local terms energy: -23.820473 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -1.620 tors. eta vs tors. theta energy: -5.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -82.988351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.988351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.988351 (E_RNA) where: Base-Base interactions energy: -54.719 where: short stacking energy: -23.858 Base-Backbone interact. energy: -0.005 local terms energy: -28.264831 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -5.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -82.523249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.523249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.523249 (E_RNA) where: Base-Base interactions energy: -53.584 where: short stacking energy: -20.942 Base-Backbone interact. energy: -0.033 local terms energy: -28.905906 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -5.044 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: -5.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -88.856716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.856716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.856716 (E_RNA) where: Base-Base interactions energy: -62.439 where: short stacking energy: -23.164 Base-Backbone interact. energy: -0.002 local terms energy: -26.415483 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.581 flat angles P-C4'-P energy: -0.641 tors. eta vs tors. theta energy: -6.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -80.513403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.513403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.513403 (E_RNA) where: Base-Base interactions energy: -58.125 where: short stacking energy: -22.976 Base-Backbone interact. energy: -0.000 local terms energy: -22.388130 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -0.760 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: 5, replica: 8 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -57.519782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.519782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.519782 (E_RNA) where: Base-Base interactions energy: -33.069 where: short stacking energy: -15.748 Base-Backbone interact. energy: -0.001 local terms energy: -24.449780 where: bonds (distance) C4'-P energy: -7.541 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: -1.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -83.019855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.019855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.019855 (E_RNA) where: Base-Base interactions energy: -57.764 where: short stacking energy: -18.457 Base-Backbone interact. energy: -0.000 local terms energy: -25.255400 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -1.618 tors. eta vs tors. theta energy: -3.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -46.656085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.656085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.656085 (E_RNA) where: Base-Base interactions energy: -21.633 where: short stacking energy: -21.633 Base-Backbone interact. energy: -0.010 local terms energy: -25.012840 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.541 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -3.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -75.872783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.872783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.872783 (E_RNA) where: Base-Base interactions energy: -50.507 where: short stacking energy: -22.803 Base-Backbone interact. energy: -0.001 local terms energy: -25.365573 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -3.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -38.755096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.755096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.755096 (E_RNA) where: Base-Base interactions energy: -15.846 where: short stacking energy: -15.537 Base-Backbone interact. energy: -0.040 local terms energy: -22.868723 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -2.564 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: 416 Temperature: 1.350000 Total energy: -54.647886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.647886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.647886 (E_RNA) where: Base-Base interactions energy: -24.517 where: short stacking energy: -23.455 Base-Backbone interact. energy: -0.002 local terms energy: -30.129072 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -5.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -85.074898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.074898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.074898 (E_RNA) where: Base-Base interactions energy: -59.694 where: short stacking energy: -23.047 Base-Backbone interact. energy: -0.001 local terms energy: -25.379551 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.980 flat angles P-C4'-P energy: -0.270 tors. eta vs tors. theta energy: -5.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -92.040504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.040504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.040504 (E_RNA) where: Base-Base interactions energy: -67.689 where: short stacking energy: -25.756 Base-Backbone interact. energy: -0.009 local terms energy: -24.342968 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: 0.788 tors. eta vs tors. theta energy: -5.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -87.992576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.992576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.992576 (E_RNA) where: Base-Base interactions energy: -63.725 where: short stacking energy: -15.967 Base-Backbone interact. energy: -0.001 local terms energy: -24.266449 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: 1.586 tors. eta vs tors. theta energy: -6.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -85.557453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.557453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.557453 (E_RNA) where: Base-Base interactions energy: -61.360 where: short stacking energy: -24.382 Base-Backbone interact. energy: -0.007 local terms energy: -24.190651 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: 1.092 tors. eta vs tors. theta energy: -5.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -53.255923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.255923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.255923 (E_RNA) where: Base-Base interactions energy: -24.442 where: short stacking energy: -24.442 Base-Backbone interact. energy: -0.000 local terms energy: -28.813965 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -1.923 tors. eta vs tors. theta energy: -7.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -82.998419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.998419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.998419 (E_RNA) where: Base-Base interactions energy: -60.378 where: short stacking energy: -22.738 Base-Backbone interact. energy: -0.703 local terms energy: -21.916937 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -3.036 flat angles P-C4'-P energy: -1.279 tors. eta vs tors. theta energy: -5.017 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: 417 Temperature: 1.200000 Total energy: -42.614048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.614048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.614048 (E_RNA) where: Base-Base interactions energy: -22.237 where: short stacking energy: -22.237 Base-Backbone interact. energy: -0.040 local terms energy: -20.337554 where: bonds (distance) C4'-P energy: -4.403 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: -2.390 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: 7 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -47.711139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.711139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.711139 (E_RNA) where: Base-Base interactions energy: -24.853 where: short stacking energy: -24.853 Base-Backbone interact. energy: -0.000 local terms energy: -22.858207 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -3.778 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -1.775 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: 9, replica: 5 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -45.295425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.295425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.295425 (E_RNA) where: Base-Base interactions energy: -21.037 where: short stacking energy: -21.037 Base-Backbone interact. energy: -0.017 local terms energy: -24.241299 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -1.297 tors. eta vs tors. theta energy: -2.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -38.372813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.372813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.372813 (E_RNA) where: Base-Base interactions energy: -10.624 where: short stacking energy: -10.624 Base-Backbone interact. energy: -0.012 local terms energy: -27.736807 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -3.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -83.884490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.884490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.884490 (E_RNA) where: Base-Base interactions energy: -53.895 where: short stacking energy: -24.697 Base-Backbone interact. energy: 0.639 local terms energy: -30.629138 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -7.469 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -5.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -79.739272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.739272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.739272 (E_RNA) where: Base-Base interactions energy: -53.319 where: short stacking energy: -23.763 Base-Backbone interact. energy: -0.003 local terms energy: -26.416387 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -4.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -87.900004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.900004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.900004 (E_RNA) where: Base-Base interactions energy: -61.360 where: short stacking energy: -20.928 Base-Backbone interact. energy: -0.038 local terms energy: -26.502146 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -1.914 tors. eta vs tors. theta energy: -5.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -78.857524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.857524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.857524 (E_RNA) where: Base-Base interactions energy: -52.259 where: short stacking energy: -23.250 Base-Backbone interact. energy: 0.292 local terms energy: -26.890772 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.513 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -2.677 tors. eta vs tors. theta energy: -5.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -81.396848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.396848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.396848 (E_RNA) where: Base-Base interactions energy: -60.691 where: short stacking energy: -20.418 Base-Backbone interact. energy: -0.062 local terms energy: -20.643703 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -2.792 flat angles P-C4'-P energy: -1.758 tors. eta vs tors. theta energy: -3.168 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: 8 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -52.701581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.701581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.701581 (E_RNA) where: Base-Base interactions energy: -23.325 where: short stacking energy: -23.325 Base-Backbone interact. energy: 0.078 local terms energy: -29.454794 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -5.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -47.783755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.783755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.783755 (E_RNA) where: Base-Base interactions energy: -19.807 where: short stacking energy: -19.807 Base-Backbone interact. energy: -0.030 local terms energy: -27.946602 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -6.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -49.099320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.099320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.099320 (E_RNA) where: Base-Base interactions energy: -22.633 where: short stacking energy: -22.633 Base-Backbone interact. energy: -0.001 local terms energy: -26.466080 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.188 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -4.792 tors. eta vs tors. theta energy: -3.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -43.452245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.452245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.452245 (E_RNA) where: Base-Base interactions energy: -21.558 where: short stacking energy: -19.277 Base-Backbone interact. energy: -0.014 local terms energy: -21.879938 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: 1.371 tors. eta vs tors. theta energy: -4.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -45.301975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.301975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.301975 (E_RNA) where: Base-Base interactions energy: -23.300 where: short stacking energy: -17.804 Base-Backbone interact. energy: -0.042 local terms energy: -21.959428 where: bonds (distance) C4'-P energy: -4.746 bonds (distance) P-C4' energy: -5.287 flat angles C4'-P-C4' energy: -7.170 flat angles P-C4'-P energy: -4.802 tors. eta vs tors. theta energy: 0.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -83.189897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.189897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.189897 (E_RNA) where: Base-Base interactions energy: -60.923 where: short stacking energy: -27.356 Base-Backbone interact. energy: 1.492 local terms energy: -23.758742 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -3.556 tors. eta vs tors. theta energy: -2.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -85.191308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.191308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.191308 (E_RNA) where: Base-Base interactions energy: -64.087 where: short stacking energy: -24.320 Base-Backbone interact. energy: -0.002 local terms energy: -21.101679 where: bonds (distance) C4'-P energy: -3.069 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: 1.251 tors. eta vs tors. theta energy: -4.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -80.155923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.155923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.155923 (E_RNA) where: Base-Base interactions energy: -57.778 where: short stacking energy: -20.094 Base-Backbone interact. energy: -0.060 local terms energy: -22.318144 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -2.415 tors. eta vs tors. theta energy: -0.331 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: 419 Temperature: 1.050000 Total energy: -79.746382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.746382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.746382 (E_RNA) where: Base-Base interactions energy: -54.233 where: short stacking energy: -25.485 Base-Backbone interact. energy: -0.307 local terms energy: -25.206083 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -4.215 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -2.409 tors. eta vs tors. theta energy: -6.316 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: 6 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -81.047247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.047247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.047247 (E_RNA) where: Base-Base interactions energy: -52.983 where: short stacking energy: -22.127 Base-Backbone interact. energy: -0.000 local terms energy: -28.063789 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -5.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -59.823812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.823812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.823812 (E_RNA) where: Base-Base interactions energy: -36.219 where: short stacking energy: -25.523 Base-Backbone interact. energy: -0.000 local terms energy: -23.604741 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -4.588 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -2.921 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: 7, replica: 8 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -51.212709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.212709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.212709 (E_RNA) where: Base-Base interactions energy: -29.358 where: short stacking energy: -23.170 Base-Backbone interact. energy: -0.000 local terms energy: -21.854903 where: bonds (distance) C4'-P energy: -5.053 bonds (distance) P-C4' energy: -2.402 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -46.736554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.736554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.736554 (E_RNA) where: Base-Base interactions energy: -17.411 where: short stacking energy: -17.411 Base-Backbone interact. energy: -0.000 local terms energy: -29.325657 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -4.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -41.270289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.270289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.270289 (E_RNA) where: Base-Base interactions energy: -16.897 where: short stacking energy: -5.783 Base-Backbone interact. energy: -0.016 local terms energy: -24.357227 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -33.158180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.158180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.158180 (E_RNA) where: Base-Base interactions energy: -14.092 where: short stacking energy: -14.092 Base-Backbone interact. energy: -0.176 local terms energy: -18.889586 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -6.047 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: 1.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -87.347266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.347266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.347266 (E_RNA) where: Base-Base interactions energy: -63.280 where: short stacking energy: -26.196 Base-Backbone interact. energy: -0.008 local terms energy: -24.059254 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.528 flat angles P-C4'-P energy: 0.122 tors. eta vs tors. theta energy: -5.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -86.706548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.706548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.706548 (E_RNA) where: Base-Base interactions energy: -63.859 where: short stacking energy: -23.698 Base-Backbone interact. energy: -0.002 local terms energy: -22.846041 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.527 flat angles P-C4'-P energy: -2.306 tors. eta vs tors. theta energy: -0.183 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: 2 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -80.779289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.779289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.779289 (E_RNA) where: Base-Base interactions energy: -58.913 where: short stacking energy: -19.835 Base-Backbone interact. energy: -0.002 local terms energy: -21.864422 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -0.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -82.861364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.861364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.861364 (E_RNA) where: Base-Base interactions energy: -57.648 where: short stacking energy: -23.388 Base-Backbone interact. energy: -0.002 local terms energy: -25.211713 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -2.576 tors. eta vs tors. theta energy: -3.928 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: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -81.685595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.685595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.685595 (E_RNA) where: Base-Base interactions energy: -57.856 where: short stacking energy: -22.431 Base-Backbone interact. energy: -0.001 local terms energy: -23.828241 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -2.162 tors. eta vs tors. theta energy: -5.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -79.597495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.597495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.597495 (E_RNA) where: Base-Base interactions energy: -59.888 where: short stacking energy: -23.977 Base-Backbone interact. energy: -0.013 local terms energy: -19.696350 where: bonds (distance) C4'-P energy: -1.479 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -4.088 flat angles P-C4'-P energy: -1.705 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: 7, replica: 10 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -37.111834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.111834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.111834 (E_RNA) where: Base-Base interactions energy: -12.366 where: short stacking energy: -12.366 Base-Backbone interact. energy: -0.000 local terms energy: -24.745714 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -5.026 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -5.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -42.954330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.954330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.954330 (E_RNA) where: Base-Base interactions energy: -19.050 where: short stacking energy: -19.050 Base-Backbone interact. energy: -0.000 local terms energy: -23.903856 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -3.142 tors. eta vs tors. theta energy: -1.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -43.096617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.096617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.096617 (E_RNA) where: Base-Base interactions energy: -17.850 where: short stacking energy: -17.850 Base-Backbone interact. energy: -0.000 local terms energy: -25.246362 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -7.019 flat angles P-C4'-P energy: -1.776 tors. eta vs tors. theta energy: -3.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -43.541678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.541678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.541678 (E_RNA) where: Base-Base interactions energy: -14.880 where: short stacking energy: -14.880 Base-Backbone interact. energy: -0.115 local terms energy: -28.547010 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -85.610277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.610277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.610277 (E_RNA) where: Base-Base interactions energy: -58.443 where: short stacking energy: -22.674 Base-Backbone interact. energy: -0.026 local terms energy: -27.141399 where: bonds (distance) C4'-P energy: -6.754 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -3.029 tors. eta vs tors. theta energy: -2.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -86.654169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.654169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.654169 (E_RNA) where: Base-Base interactions energy: -65.018 where: short stacking energy: -21.691 Base-Backbone interact. energy: -0.002 local terms energy: -21.634171 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: 0.140 tors. eta vs tors. theta energy: -4.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -82.895549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.895549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.895549 (E_RNA) where: Base-Base interactions energy: -55.476 where: short stacking energy: -20.394 Base-Backbone interact. energy: -0.390 local terms energy: -27.029145 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -3.164 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -6.300 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: 7 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -77.171441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.171441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.171441 (E_RNA) where: Base-Base interactions energy: -50.333 where: short stacking energy: -20.919 Base-Backbone interact. energy: -0.279 local terms energy: -26.559474 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -2.779 tors. eta vs tors. theta energy: -5.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -80.987337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.987337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.987337 (E_RNA) where: Base-Base interactions energy: -52.059 where: short stacking energy: -11.860 Base-Backbone interact. energy: -0.532 local terms energy: -28.396574 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -2.196 tors. eta vs tors. theta energy: -5.684 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: 10 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -51.909850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.909850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.909850 (E_RNA) where: Base-Base interactions energy: -25.379 where: short stacking energy: -25.379 Base-Backbone interact. energy: -0.001 local terms energy: -26.529104 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: -5.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -74.222651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.222651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.222651 (E_RNA) where: Base-Base interactions energy: -50.073 where: short stacking energy: -19.769 Base-Backbone interact. energy: -0.008 local terms energy: -24.142157 where: bonds (distance) C4'-P energy: -2.204 bonds (distance) P-C4' energy: -6.073 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -3.646 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: 5 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -51.387195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.387195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.387195 (E_RNA) where: Base-Base interactions energy: -31.507 where: short stacking energy: -20.202 Base-Backbone interact. energy: -0.027 local terms energy: -19.852749 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -2.403 flat angles P-C4'-P energy: -2.731 tors. eta vs tors. theta energy: -3.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -42.156342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.156342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.156342 (E_RNA) where: Base-Base interactions energy: -20.606 where: short stacking energy: -20.606 Base-Backbone interact. energy: -0.019 local terms energy: -21.531812 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -0.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -44.634872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.634872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.634872 (E_RNA) where: Base-Base interactions energy: -21.332 where: short stacking energy: -20.852 Base-Backbone interact. energy: -0.001 local terms energy: -23.302338 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -3.496 flat angles P-C4'-P energy: -2.195 tors. eta vs tors. theta energy: -5.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -86.477715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.477715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.477715 (E_RNA) where: Base-Base interactions energy: -62.809 where: short stacking energy: -24.415 Base-Backbone interact. energy: -0.002 local terms energy: -23.666336 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.601 flat angles P-C4'-P energy: -1.585 tors. eta vs tors. theta energy: -4.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -77.916732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.916732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.916732 (E_RNA) where: Base-Base interactions energy: -53.573 where: short stacking energy: -19.460 Base-Backbone interact. energy: -0.090 local terms energy: -24.254343 where: bonds (distance) C4'-P energy: -6.000 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -3.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -87.706250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.706250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.706250 (E_RNA) where: Base-Base interactions energy: -66.686 where: short stacking energy: -25.596 Base-Backbone interact. energy: -0.000 local terms energy: -21.020533 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -4.989 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -0.467 tors. eta vs tors. theta energy: -3.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -82.313162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.313162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.313162 (E_RNA) where: Base-Base interactions energy: -50.490 where: short stacking energy: -22.769 Base-Backbone interact. energy: -0.000 local terms energy: -31.823045 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -6.011 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: 10 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -78.115608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.115608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.115608 (E_RNA) where: Base-Base interactions energy: -53.977 where: short stacking energy: -23.774 Base-Backbone interact. energy: -0.000 local terms energy: -24.138670 where: bonds (distance) C4'-P energy: -6.150 bonds (distance) P-C4' energy: -5.038 flat angles C4'-P-C4' energy: -6.310 flat angles P-C4'-P energy: -3.281 tors. eta vs tors. theta energy: -3.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -84.811593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.811593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.811593 (E_RNA) where: Base-Base interactions energy: -61.094 where: short stacking energy: -24.299 Base-Backbone interact. energy: -0.000 local terms energy: -23.717277 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -2.814 tors. eta vs tors. theta energy: -1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -86.750472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.750472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.750472 (E_RNA) where: Base-Base interactions energy: -62.785 where: short stacking energy: -21.890 Base-Backbone interact. energy: -0.006 local terms energy: -23.960158 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -0.986 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -5.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -46.295456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.295456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.295456 (E_RNA) where: Base-Base interactions energy: -20.698 where: short stacking energy: -20.698 Base-Backbone interact. energy: -0.017 local terms energy: -25.579886 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -4.318 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: 4 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -48.502603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.502603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.502603 (E_RNA) where: Base-Base interactions energy: -24.351 where: short stacking energy: -16.528 Base-Backbone interact. energy: -0.001 local terms energy: -24.150491 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -3.365 tors. eta vs tors. theta energy: -0.512 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: 8 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -42.083243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.083243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.083243 (E_RNA) where: Base-Base interactions energy: -20.500 where: short stacking energy: -17.752 Base-Backbone interact. energy: -0.093 local terms energy: -21.490909 where: bonds (distance) C4'-P energy: -4.920 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -2.198 tors. eta vs tors. theta energy: -2.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -79.944381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.944381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.944381 (E_RNA) where: Base-Base interactions energy: -54.510 where: short stacking energy: -23.153 Base-Backbone interact. energy: -0.001 local terms energy: -25.433511 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -3.905 tors. eta vs tors. theta energy: -4.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -77.668636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.668636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.668636 (E_RNA) where: Base-Base interactions energy: -51.883 where: short stacking energy: -22.662 Base-Backbone interact. energy: -0.044 local terms energy: -25.741130 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -3.026 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -6.019 tors. eta vs tors. theta energy: -3.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -81.746773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.746773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.746773 (E_RNA) where: Base-Base interactions energy: -57.347 where: short stacking energy: -19.409 Base-Backbone interact. energy: -0.005 local terms energy: -24.394293 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -6.395 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -0.858 tors. eta vs tors. theta energy: -5.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -83.790868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.790868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.790868 (E_RNA) where: Base-Base interactions energy: -55.418 where: short stacking energy: -20.087 Base-Backbone interact. energy: -0.026 local terms energy: -28.346278 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -4.053 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: 5, replica: 9 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -79.011130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.011130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.011130 (E_RNA) where: Base-Base interactions energy: -60.727 where: short stacking energy: -20.648 Base-Backbone interact. energy: -0.045 local terms energy: -18.239564 where: bonds (distance) C4'-P energy: -4.899 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -3.806 flat angles P-C4'-P energy: 0.992 tors. eta vs tors. theta energy: -4.429 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: 6, replica: 6 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -77.293220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.293220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.293220 (E_RNA) where: Base-Base interactions energy: -51.206 where: short stacking energy: -22.755 Base-Backbone interact. energy: -0.000 local terms energy: -26.086699 where: bonds (distance) C4'-P energy: -2.929 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -71.225587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.225587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.225587 (E_RNA) where: Base-Base interactions energy: -45.323 where: short stacking energy: -19.186 Base-Backbone interact. energy: -0.001 local terms energy: -25.902313 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -3.932 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: 4 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -48.162870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.162870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.162870 (E_RNA) where: Base-Base interactions energy: -22.544 where: short stacking energy: -15.624 Base-Backbone interact. energy: -0.001 local terms energy: -25.618355 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -5.687 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -2.305 tors. eta vs tors. theta energy: -4.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -42.148155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.148155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.148155 (E_RNA) where: Base-Base interactions energy: -16.402 where: short stacking energy: -16.402 Base-Backbone interact. energy: -0.151 local terms energy: -25.595168 where: bonds (distance) C4'-P energy: -2.520 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -3.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -40.546969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.546969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.546969 (E_RNA) where: Base-Base interactions energy: -19.938 where: short stacking energy: -19.938 Base-Backbone interact. energy: -0.007 local terms energy: -20.602078 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -2.200 flat angles P-C4'-P energy: -0.901 tors. eta vs tors. theta energy: -4.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -88.410123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.410123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.410123 (E_RNA) where: Base-Base interactions energy: -64.863 where: short stacking energy: -25.692 Base-Backbone interact. energy: -0.001 local terms energy: -23.546064 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -0.831 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -81.131007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.131007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.131007 (E_RNA) where: Base-Base interactions energy: -53.930 where: short stacking energy: -23.255 Base-Backbone interact. energy: -0.031 local terms energy: -27.170499 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -7.255 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -3.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -79.651909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.651909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.651909 (E_RNA) where: Base-Base interactions energy: -53.815 where: short stacking energy: -23.694 Base-Backbone interact. energy: -0.023 local terms energy: -25.813846 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -3.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -82.032152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.032152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.032152 (E_RNA) where: Base-Base interactions energy: -60.871 where: short stacking energy: -20.236 Base-Backbone interact. energy: -0.037 local terms energy: -21.123649 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -3.257 flat angles P-C4'-P energy: 0.116 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -80.864807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.864807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.864807 (E_RNA) where: Base-Base interactions energy: -53.205 where: short stacking energy: -23.758 Base-Backbone interact. energy: -0.003 local terms energy: -27.657327 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -6.054 tors. eta vs tors. theta energy: -3.403 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: 9 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -76.592603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.592603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.592603 (E_RNA) where: Base-Base interactions energy: -47.760 where: short stacking energy: -23.274 Base-Backbone interact. energy: -0.001 local terms energy: -28.831732 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -4.229 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: 7, replica: 4 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -46.430276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.430276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.430276 (E_RNA) where: Base-Base interactions energy: -22.956 where: short stacking energy: -22.062 Base-Backbone interact. energy: -0.001 local terms energy: -23.473637 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.476 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -73.946409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.946409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.946409 (E_RNA) where: Base-Base interactions energy: -53.315 where: short stacking energy: -19.751 Base-Backbone interact. energy: -0.006 local terms energy: -20.625133 where: bonds (distance) C4'-P energy: -3.690 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -0.471 tors. eta vs tors. theta energy: -3.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -38.797179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.797179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.797179 (E_RNA) where: Base-Base interactions energy: -14.084 where: short stacking energy: -14.084 Base-Backbone interact. energy: -0.002 local terms energy: -24.711161 where: bonds (distance) C4'-P energy: -4.970 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -2.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -42.511236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.511236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.511236 (E_RNA) where: Base-Base interactions energy: -21.860 where: short stacking energy: -21.860 Base-Backbone interact. energy: -0.001 local terms energy: -20.650115 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -1.280 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -4.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -83.478629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.478629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.478629 (E_RNA) where: Base-Base interactions energy: -56.365 where: short stacking energy: -18.246 Base-Backbone interact. energy: -0.101 local terms energy: -27.011887 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -5.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -83.310164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.310164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.310164 (E_RNA) where: Base-Base interactions energy: -59.544 where: short stacking energy: -23.890 Base-Backbone interact. energy: 1.268 local terms energy: -25.034119 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -5.289 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -5.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -79.719586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.719586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.719586 (E_RNA) where: Base-Base interactions energy: -49.609 where: short stacking energy: -23.739 Base-Backbone interact. energy: -0.051 local terms energy: -30.059424 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -4.649 tors. eta vs tors. theta energy: -4.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -80.831453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.831453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.831453 (E_RNA) where: Base-Base interactions energy: -51.785 where: short stacking energy: -24.106 Base-Backbone interact. energy: -0.000 local terms energy: -29.045793 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.757 flat angles P-C4'-P energy: -4.989 tors. eta vs tors. theta energy: -5.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -82.940345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.940345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.940345 (E_RNA) where: Base-Base interactions energy: -59.971 where: short stacking energy: -20.125 Base-Backbone interact. energy: -0.000 local terms energy: -22.969554 where: bonds (distance) C4'-P energy: -2.821 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -2.723 tors. eta vs tors. theta energy: -3.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -80.510724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.510724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.510724 (E_RNA) where: Base-Base interactions energy: -64.192 where: short stacking energy: -26.026 Base-Backbone interact. energy: -0.044 local terms energy: -16.274690 where: bonds (distance) C4'-P energy: -4.759 bonds (distance) P-C4' energy: -4.170 flat angles C4'-P-C4' energy: -1.950 flat angles P-C4'-P energy: -0.133 tors. eta vs tors. theta energy: -5.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -49.218147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.218147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.218147 (E_RNA) where: Base-Base interactions energy: -22.202 where: short stacking energy: -22.202 Base-Backbone interact. energy: -0.000 local terms energy: -27.015851 where: bonds (distance) C4'-P energy: -4.410 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -4.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -76.771213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.771213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.771213 (E_RNA) where: Base-Base interactions energy: -61.977 where: short stacking energy: -22.563 Base-Backbone interact. energy: -0.001 local terms energy: -14.794057 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -5.848 flat angles C4'-P-C4' energy: -1.526 flat angles P-C4'-P energy: -1.236 tors. eta vs tors. theta energy: -0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -42.858183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.858183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.858183 (E_RNA) where: Base-Base interactions energy: -20.142 where: short stacking energy: -19.874 Base-Backbone interact. energy: -0.000 local terms energy: -22.715614 where: bonds (distance) C4'-P energy: -3.232 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -3.459 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -5.448 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: 10, replica: 5 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -41.423683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.423683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.423683 (E_RNA) where: Base-Base interactions energy: -17.374 where: short stacking energy: -7.825 Base-Backbone interact. energy: -0.050 local terms energy: -23.999481 where: bonds (distance) C4'-P energy: -5.273 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -4.978 tors. eta vs tors. theta energy: -2.668 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: 1, replica: 2 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -81.469395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.469395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.469395 (E_RNA) where: Base-Base interactions energy: -58.297 where: short stacking energy: -22.210 Base-Backbone interact. energy: -0.001 local terms energy: -23.171989 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -5.115 tors. eta vs tors. theta energy: -2.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -93.142817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.142817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.142817 (E_RNA) where: Base-Base interactions energy: -63.520 where: short stacking energy: -26.094 Base-Backbone interact. energy: -0.002 local terms energy: -29.621278 where: bonds (distance) C4'-P energy: -7.549 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -3.188 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: 3, replica: 6 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -82.709303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.709303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.709303 (E_RNA) where: Base-Base interactions energy: -57.024 where: short stacking energy: -24.724 Base-Backbone interact. energy: -0.000 local terms energy: -25.685200 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -6.213 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -83.251702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.251702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.251702 (E_RNA) where: Base-Base interactions energy: -58.576 where: short stacking energy: -24.235 Base-Backbone interact. energy: -0.109 local terms energy: -24.566040 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.315 flat angles P-C4'-P energy: -1.595 tors. eta vs tors. theta energy: -3.892 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: 9 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -78.917947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.917947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.917947 (E_RNA) where: Base-Base interactions energy: -56.624 where: short stacking energy: -19.696 Base-Backbone interact. energy: -0.843 local terms energy: -21.451361 where: bonds (distance) C4'-P energy: -2.069 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -3.423 flat angles P-C4'-P energy: -2.523 tors. eta vs tors. theta energy: -6.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -50.076247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.076247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.076247 (E_RNA) where: Base-Base interactions energy: -25.049 where: short stacking energy: -25.049 Base-Backbone interact. energy: -0.000 local terms energy: -25.027085 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -2.425 tors. eta vs tors. theta energy: -4.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -81.986798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.986798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.986798 (E_RNA) where: Base-Base interactions energy: -62.296 where: short stacking energy: -24.465 Base-Backbone interact. energy: -0.487 local terms energy: -19.204612 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -3.421 flat angles P-C4'-P energy: -0.894 tors. eta vs tors. theta energy: -3.358 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: 4 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -42.058104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.058104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.058104 (E_RNA) where: Base-Base interactions energy: -18.728 where: short stacking energy: -18.728 Base-Backbone interact. energy: -0.000 local terms energy: -23.329844 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -1.645 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -46.164402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.164402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.164402 (E_RNA) where: Base-Base interactions energy: -28.258 where: short stacking energy: -13.295 Base-Backbone interact. energy: -0.034 local terms energy: -17.871819 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -4.897 flat angles C4'-P-C4' energy: -3.503 flat angles P-C4'-P energy: -4.165 tors. eta vs tors. theta energy: 0.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -41.411356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.411356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.411356 (E_RNA) where: Base-Base interactions energy: -17.714 where: short stacking energy: -17.714 Base-Backbone interact. energy: -0.041 local terms energy: -23.656129 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -3.533 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -2.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -84.177226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.177226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.177226 (E_RNA) where: Base-Base interactions energy: -55.062 where: short stacking energy: -25.008 Base-Backbone interact. energy: -0.000 local terms energy: -29.115245 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -4.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -89.940412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.940412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.940412 (E_RNA) where: Base-Base interactions energy: -66.551 where: short stacking energy: -25.552 Base-Backbone interact. energy: -0.002 local terms energy: -23.387777 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -3.296 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -2.661 tors. eta vs tors. theta energy: -5.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -84.195433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.195433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.195433 (E_RNA) where: Base-Base interactions energy: -58.217 where: short stacking energy: -20.433 Base-Backbone interact. energy: -0.001 local terms energy: -25.978032 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -77.438991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.438991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.438991 (E_RNA) where: Base-Base interactions energy: -55.705 where: short stacking energy: -20.792 Base-Backbone interact. energy: -0.103 local terms energy: -21.630998 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -5.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -81.044494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.044494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.044494 (E_RNA) where: Base-Base interactions energy: -60.749 where: short stacking energy: -22.275 Base-Backbone interact. energy: -0.086 local terms energy: -20.209797 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: 0.345 tors. eta vs tors. theta energy: -2.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -79.656327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.656327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.656327 (E_RNA) where: Base-Base interactions energy: -52.239 where: short stacking energy: -20.913 Base-Backbone interact. energy: -0.000 local terms energy: -27.417480 where: bonds (distance) C4'-P energy: -4.635 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -3.226 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: 7 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -45.285044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.285044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.285044 (E_RNA) where: Base-Base interactions energy: -19.584 where: short stacking energy: -19.584 Base-Backbone interact. energy: -0.000 local terms energy: -25.700475 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -3.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -42.275006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.275006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.275006 (E_RNA) where: Base-Base interactions energy: -17.633 where: short stacking energy: -17.633 Base-Backbone interact. energy: -0.000 local terms energy: -24.642146 where: bonds (distance) C4'-P energy: -5.223 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: -3.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -45.797696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.797696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.797696 (E_RNA) where: Base-Base interactions energy: -19.306 where: short stacking energy: -19.306 Base-Backbone interact. energy: -0.000 local terms energy: -26.491035 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -42.826820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.826820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.826820 (E_RNA) where: Base-Base interactions energy: -17.664 where: short stacking energy: -15.384 Base-Backbone interact. energy: -0.102 local terms energy: -25.060672 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -2.188 tors. eta vs tors. theta energy: -3.871 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: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -87.315593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.315593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.315593 (E_RNA) where: Base-Base interactions energy: -63.453 where: short stacking energy: -24.817 Base-Backbone interact. energy: -0.096 local terms energy: -23.766684 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -0.274 tors. eta vs tors. theta energy: -4.550 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: 428 Temperature: 0.950000 Total energy: -80.201632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.201632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.201632 (E_RNA) where: Base-Base interactions energy: -52.681 where: short stacking energy: -17.349 Base-Backbone interact. energy: -0.001 local terms energy: -27.519632 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -2.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -80.393777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.393777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.393777 (E_RNA) where: Base-Base interactions energy: -56.660 where: short stacking energy: -21.503 Base-Backbone interact. energy: -0.009 local terms energy: -23.724332 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -1.775 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: 9 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -77.717699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.717699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.717699 (E_RNA) where: Base-Base interactions energy: -48.817 where: short stacking energy: -19.039 Base-Backbone interact. energy: -0.001 local terms energy: -28.899375 where: bonds (distance) C4'-P energy: -5.119 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -3.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -78.563274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.563274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.563274 (E_RNA) where: Base-Base interactions energy: -49.656 where: short stacking energy: -22.312 Base-Backbone interact. energy: -0.004 local terms energy: -28.903268 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -4.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -76.782314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.782314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.782314 (E_RNA) where: Base-Base interactions energy: -57.290 where: short stacking energy: -21.383 Base-Backbone interact. energy: 0.720 local terms energy: -20.212096 where: bonds (distance) C4'-P energy: -5.288 bonds (distance) P-C4' energy: -4.759 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -0.659 tors. eta vs tors. theta energy: -3.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -45.579541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.579541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.579541 (E_RNA) where: Base-Base interactions energy: -17.309 where: short stacking energy: -17.309 Base-Backbone interact. energy: -0.002 local terms energy: -28.268545 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -5.878 tors. eta vs tors. theta energy: -3.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -43.104810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.104810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.104810 (E_RNA) where: Base-Base interactions energy: -21.245 where: short stacking energy: -20.858 Base-Backbone interact. energy: -0.010 local terms energy: -21.849461 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -2.812 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: -1.939 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: 8 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -39.860163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.860163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.860163 (E_RNA) where: Base-Base interactions energy: -17.302 where: short stacking energy: -17.302 Base-Backbone interact. energy: -0.002 local terms energy: -22.556111 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -2.882 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: -4.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -40.289819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.289819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.289819 (E_RNA) where: Base-Base interactions energy: -19.084 where: short stacking energy: -8.911 Base-Backbone interact. energy: 1.082 local terms energy: -22.287269 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -5.784 flat angles C4'-P-C4' energy: -6.035 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: -0.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -83.716781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.716781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.716781 (E_RNA) where: Base-Base interactions energy: -57.704 where: short stacking energy: -22.859 Base-Backbone interact. energy: 0.613 local terms energy: -26.625965 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -6.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -83.136992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.136992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.136992 (E_RNA) where: Base-Base interactions energy: -60.556 where: short stacking energy: -20.660 Base-Backbone interact. energy: -0.229 local terms energy: -22.351987 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -0.673 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: 3, replica: 2 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -85.996140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.996140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.996140 (E_RNA) where: Base-Base interactions energy: -64.668 where: short stacking energy: -23.262 Base-Backbone interact. energy: -0.199 local terms energy: -21.129018 where: bonds (distance) C4'-P energy: -5.000 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: 0.393 tors. eta vs tors. theta energy: -3.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -86.667840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.667840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.667840 (E_RNA) where: Base-Base interactions energy: -61.703 where: short stacking energy: -23.509 Base-Backbone interact. energy: -0.001 local terms energy: -24.964411 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -2.957 tors. eta vs tors. theta energy: -5.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -79.431979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.431979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.431979 (E_RNA) where: Base-Base interactions energy: -52.457 where: short stacking energy: -23.349 Base-Backbone interact. energy: -0.003 local terms energy: -26.971596 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -5.123 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: 7 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -51.109568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.109568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.109568 (E_RNA) where: Base-Base interactions energy: -23.126 where: short stacking energy: -23.126 Base-Backbone interact. energy: -0.000 local terms energy: -27.983211 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -5.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -46.776933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.776933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.776933 (E_RNA) where: Base-Base interactions energy: -21.814 where: short stacking energy: -21.814 Base-Backbone interact. energy: -0.030 local terms energy: -24.933553 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -6.560 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: -3.185 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: 8, replica: 8 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -42.123480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.123480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.123480 (E_RNA) where: Base-Base interactions energy: -16.534 where: short stacking energy: -16.534 Base-Backbone interact. energy: -0.008 local terms energy: -25.581754 where: bonds (distance) C4'-P energy: -4.502 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -3.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -35.821150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.821150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.821150 (E_RNA) where: Base-Base interactions energy: -15.096 where: short stacking energy: -14.494 Base-Backbone interact. energy: -0.101 local terms energy: -20.624865 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -0.054 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: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -37.761723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.761723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.761723 (E_RNA) where: Base-Base interactions energy: -22.082 where: short stacking energy: -21.367 Base-Backbone interact. energy: -0.039 local terms energy: -15.641233 where: bonds (distance) C4'-P energy: -3.587 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: 0.293 tors. eta vs tors. theta energy: -2.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -84.153164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.153164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.153164 (E_RNA) where: Base-Base interactions energy: -55.543 where: short stacking energy: -21.596 Base-Backbone interact. energy: -0.001 local terms energy: -28.609473 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.720 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -5.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -83.539658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.539658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.539658 (E_RNA) where: Base-Base interactions energy: -57.701 where: short stacking energy: -21.486 Base-Backbone interact. energy: -0.103 local terms energy: -25.734786 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -2.520 tors. eta vs tors. theta energy: -5.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -79.173294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.173294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.173294 (E_RNA) where: Base-Base interactions energy: -50.951 where: short stacking energy: -22.627 Base-Backbone interact. energy: -0.001 local terms energy: -28.221138 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: -7.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -83.076255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.076255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.076255 (E_RNA) where: Base-Base interactions energy: -65.087 where: short stacking energy: -24.230 Base-Backbone interact. energy: -0.025 local terms energy: -17.964459 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.753 flat angles P-C4'-P energy: -1.347 tors. eta vs tors. theta energy: -3.307 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: 9 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -75.272592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.272592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.272592 (E_RNA) where: Base-Base interactions energy: -52.467 where: short stacking energy: -22.390 Base-Backbone interact. energy: -0.008 local terms energy: -22.797842 where: bonds (distance) C4'-P energy: -4.498 bonds (distance) P-C4' energy: -3.753 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -6.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -54.969323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.969323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.969323 (E_RNA) where: Base-Base interactions energy: -27.207 where: short stacking energy: -27.207 Base-Backbone interact. energy: -0.004 local terms energy: -27.758902 where: bonds (distance) C4'-P energy: -5.425 bonds (distance) P-C4' energy: -5.946 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -5.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -46.333431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.333431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.333431 (E_RNA) where: Base-Base interactions energy: -24.906 where: short stacking energy: -14.270 Base-Backbone interact. energy: -0.068 local terms energy: -21.360090 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -5.022 flat angles C4'-P-C4' energy: -4.196 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -1.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -49.004999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.004999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.004999 (E_RNA) where: Base-Base interactions energy: -24.593 where: short stacking energy: -24.593 Base-Backbone interact. energy: -0.001 local terms energy: -24.411046 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -4.532 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -36.879213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.879213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.879213 (E_RNA) where: Base-Base interactions energy: -14.336 where: short stacking energy: -9.383 Base-Backbone interact. energy: -0.128 local terms energy: -22.415605 where: bonds (distance) C4'-P energy: -3.853 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -65.766036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.766036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.766036 (E_RNA) where: Base-Base interactions energy: -48.277 where: short stacking energy: -15.451 Base-Backbone interact. energy: -0.099 local terms energy: -17.390676 where: bonds (distance) C4'-P energy: -1.617 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -97.473725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.473725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.473725 (E_RNA) where: Base-Base interactions energy: -74.775 where: short stacking energy: -27.817 Base-Backbone interact. energy: -0.007 local terms energy: -22.691044 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: 2.815 tors. eta vs tors. theta energy: -5.011 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: 1 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -78.985154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.985154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.985154 (E_RNA) where: Base-Base interactions energy: -51.243 where: short stacking energy: -22.331 Base-Backbone interact. energy: -0.000 local terms energy: -27.742088 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -4.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -88.910623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.910623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.910623 (E_RNA) where: Base-Base interactions energy: -64.255 where: short stacking energy: -21.445 Base-Backbone interact. energy: -0.007 local terms energy: -24.648598 where: bonds (distance) C4'-P energy: -5.155 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -1.602 tors. eta vs tors. theta energy: -4.557 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: 9 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -80.869908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.869908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.869908 (E_RNA) where: Base-Base interactions energy: -61.604 where: short stacking energy: -24.838 Base-Backbone interact. energy: -0.001 local terms energy: -19.265606 where: bonds (distance) C4'-P energy: -5.152 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -0.766 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -74.282927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.282927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.282927 (E_RNA) where: Base-Base interactions energy: -49.867 where: short stacking energy: -17.223 Base-Backbone interact. energy: -0.001 local terms energy: -24.415091 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -4.214 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -3.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -48.473762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.473762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.473762 (E_RNA) where: Base-Base interactions energy: -20.208 where: short stacking energy: -20.208 Base-Backbone interact. energy: -0.000 local terms energy: -28.265881 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -3.684 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: 8 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -49.495966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.495966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.495966 (E_RNA) where: Base-Base interactions energy: -29.216 where: short stacking energy: -15.922 Base-Backbone interact. energy: -0.084 local terms energy: -20.196251 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: 0.771 tors. eta vs tors. theta energy: -2.678 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: 8, replica: 4 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -40.705161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.705161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.705161 (E_RNA) where: Base-Base interactions energy: -15.070 where: short stacking energy: -15.070 Base-Backbone interact. energy: -0.001 local terms energy: -25.634340 where: bonds (distance) C4'-P energy: -6.932 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: -4.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -43.698392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.698392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.698392 (E_RNA) where: Base-Base interactions energy: -17.464 where: short stacking energy: -17.464 Base-Backbone interact. energy: -0.115 local terms energy: -26.119228 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -4.096 tors. eta vs tors. theta energy: -3.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -71.863636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.863636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.863636 (E_RNA) where: Base-Base interactions energy: -46.977 where: short stacking energy: -16.926 Base-Backbone interact. energy: -0.015 local terms energy: -24.871853 where: bonds (distance) C4'-P energy: -4.229 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -3.026 tors. eta vs tors. theta energy: -5.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -95.975416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.975416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.975416 (E_RNA) where: Base-Base interactions energy: -74.638 where: short stacking energy: -29.213 Base-Backbone interact. energy: -0.013 local terms energy: -21.323858 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -4.065 flat angles P-C4'-P energy: 1.624 tors. eta vs tors. theta energy: -5.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -86.825529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.825529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.825529 (E_RNA) where: Base-Base interactions energy: -66.144 where: short stacking energy: -25.065 Base-Backbone interact. energy: -0.002 local terms energy: -20.679297 where: bonds (distance) C4'-P energy: -4.544 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -1.119 tors. eta vs tors. theta energy: -2.593 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: 9 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -84.333747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.333747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.333747 (E_RNA) where: Base-Base interactions energy: -61.310 where: short stacking energy: -19.279 Base-Backbone interact. energy: -0.013 local terms energy: -23.011400 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -0.437 tors. eta vs tors. theta energy: -4.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -78.690759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.690759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.690759 (E_RNA) where: Base-Base interactions energy: -52.127 where: short stacking energy: -25.098 Base-Backbone interact. energy: 0.510 local terms energy: -27.073786 where: bonds (distance) C4'-P energy: -6.816 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -5.280 tors. eta vs tors. theta energy: -4.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -48.737913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.737913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.737913 (E_RNA) where: Base-Base interactions energy: -20.460 where: short stacking energy: -20.460 Base-Backbone interact. energy: -0.000 local terms energy: -28.277511 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: -4.899 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: 6, replica: 2 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -53.295151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.295151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.295151 (E_RNA) where: Base-Base interactions energy: -27.438 where: short stacking energy: -27.438 Base-Backbone interact. energy: -0.000 local terms energy: -25.856959 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -5.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -52.614785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.614785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.614785 (E_RNA) where: Base-Base interactions energy: -29.977 where: short stacking energy: -20.452 Base-Backbone interact. energy: -0.000 local terms energy: -22.637084 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -1.062 tors. eta vs tors. theta energy: -4.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -43.999105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.999105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.999105 (E_RNA) where: Base-Base interactions energy: -20.548 where: short stacking energy: -20.548 Base-Backbone interact. energy: -0.010 local terms energy: -23.440737 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -5.846 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -1.010 tors. eta vs tors. theta energy: -5.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -40.260954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.260954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.260954 (E_RNA) where: Base-Base interactions energy: -15.665 where: short stacking energy: -15.665 Base-Backbone interact. energy: -0.016 local terms energy: -24.579589 where: bonds (distance) C4'-P energy: -2.970 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -35.444996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.444996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.444996 (E_RNA) where: Base-Base interactions energy: -14.397 where: short stacking energy: -11.327 Base-Backbone interact. energy: -0.004 local terms energy: -21.043536 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -2.826 flat angles P-C4'-P energy: -5.162 tors. eta vs tors. theta energy: -2.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -89.797331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.797331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.797331 (E_RNA) where: Base-Base interactions energy: -69.377 where: short stacking energy: -25.860 Base-Backbone interact. energy: -0.001 local terms energy: -20.419924 where: bonds (distance) C4'-P energy: -5.533 bonds (distance) P-C4' energy: -3.391 flat angles C4'-P-C4' energy: -6.742 flat angles P-C4'-P energy: 0.894 tors. eta vs tors. theta energy: -5.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -89.148042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.148042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.148042 (E_RNA) where: Base-Base interactions energy: -62.592 where: short stacking energy: -23.940 Base-Backbone interact. energy: -0.062 local terms energy: -26.494153 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -2.470 tors. eta vs tors. theta energy: -4.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -81.946067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.946067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.946067 (E_RNA) where: Base-Base interactions energy: -52.536 where: short stacking energy: -22.589 Base-Backbone interact. energy: -0.036 local terms energy: -29.373551 where: bonds (distance) C4'-P energy: -5.735 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -5.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -80.524593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.524593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.524593 (E_RNA) where: Base-Base interactions energy: -55.037 where: short stacking energy: -23.164 Base-Backbone interact. energy: 0.208 local terms energy: -25.696021 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -6.564 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -52.226835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.226835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.226835 (E_RNA) where: Base-Base interactions energy: -26.382 where: short stacking energy: -20.037 Base-Backbone interact. energy: -0.003 local terms energy: -25.842215 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -4.622 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -4.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -43.842125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.842125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.842125 (E_RNA) where: Base-Base interactions energy: -17.154 where: short stacking energy: -17.154 Base-Backbone interact. energy: -0.000 local terms energy: -26.687677 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -3.201 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: 2 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -47.579366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.579366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.579366 (E_RNA) where: Base-Base interactions energy: -20.360 where: short stacking energy: -20.360 Base-Backbone interact. energy: -0.000 local terms energy: -27.219586 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.164 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -42.465811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.465811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.465811 (E_RNA) where: Base-Base interactions energy: -17.225 where: short stacking energy: -17.225 Base-Backbone interact. energy: -0.016 local terms energy: -25.224713 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: -3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -43.179668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.179668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.179668 (E_RNA) where: Base-Base interactions energy: -18.107 where: short stacking energy: -18.107 Base-Backbone interact. energy: -0.005 local terms energy: -25.067668 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.399 tors. eta vs tors. theta energy: -5.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -41.351032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.351032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.351032 (E_RNA) where: Base-Base interactions energy: -19.665 where: short stacking energy: -19.015 Base-Backbone interact. energy: -0.000 local terms energy: -21.685721 where: bonds (distance) C4'-P energy: -4.092 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -2.368 tors. eta vs tors. theta energy: -2.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -90.804285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.804285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.804285 (E_RNA) where: Base-Base interactions energy: -62.900 where: short stacking energy: -22.395 Base-Backbone interact. energy: -0.000 local terms energy: -27.904067 where: bonds (distance) C4'-P energy: -7.131 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -1.951 tors. eta vs tors. theta energy: -6.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -86.325041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.325041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.325041 (E_RNA) where: Base-Base interactions energy: -65.049 where: short stacking energy: -25.596 Base-Backbone interact. energy: -0.020 local terms energy: -21.256669 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -0.867 tors. eta vs tors. theta energy: -5.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -86.729660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.729660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.729660 (E_RNA) where: Base-Base interactions energy: -66.151 where: short stacking energy: -23.470 Base-Backbone interact. energy: -0.006 local terms energy: -20.571707 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: 2.715 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: 4, replica: 1 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -77.843133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.843133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.843133 (E_RNA) where: Base-Base interactions energy: -52.015 where: short stacking energy: -21.931 Base-Backbone interact. energy: -0.037 local terms energy: -25.791491 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.240 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -2.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -53.511481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.511481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.511481 (E_RNA) where: Base-Base interactions energy: -30.083 where: short stacking energy: -23.023 Base-Backbone interact. energy: -0.038 local terms energy: -23.390442 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -1.197 tors. eta vs tors. theta energy: -3.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -43.892606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.892606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.892606 (E_RNA) where: Base-Base interactions energy: -15.863 where: short stacking energy: -15.863 Base-Backbone interact. energy: -0.000 local terms energy: -28.029506 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -4.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -48.576104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.576104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.576104 (E_RNA) where: Base-Base interactions energy: -26.112 where: short stacking energy: -17.400 Base-Backbone interact. energy: -0.012 local terms energy: -22.452438 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -3.377 tors. eta vs tors. theta energy: -2.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -44.310315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.310315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.310315 (E_RNA) where: Base-Base interactions energy: -17.626 where: short stacking energy: -16.842 Base-Backbone interact. energy: -0.001 local terms energy: -26.683422 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -46.852252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.852252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.852252 (E_RNA) where: Base-Base interactions energy: -20.892 where: short stacking energy: -20.892 Base-Backbone interact. energy: -0.000 local terms energy: -25.959811 where: bonds (distance) C4'-P energy: -4.842 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -3.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -44.212316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.212316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.212316 (E_RNA) where: Base-Base interactions energy: -20.618 where: short stacking energy: -17.665 Base-Backbone interact. energy: -0.009 local terms energy: -23.585682 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -3.512 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -3.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -87.771964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.771964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.771964 (E_RNA) where: Base-Base interactions energy: -63.145 where: short stacking energy: -22.287 Base-Backbone interact. energy: -0.000 local terms energy: -24.626530 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -0.776 tors. eta vs tors. theta energy: -6.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -85.625542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.625542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.625542 (E_RNA) where: Base-Base interactions energy: -58.524 where: short stacking energy: -23.318 Base-Backbone interact. energy: -0.005 local terms energy: -27.097191 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -4.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -91.317617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.317617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.317617 (E_RNA) where: Base-Base interactions energy: -67.393 where: short stacking energy: -22.880 Base-Backbone interact. energy: -0.035 local terms energy: -23.889156 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: 0.188 tors. eta vs tors. theta energy: -5.684 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: 4, replica: 1 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -89.115137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.115137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.115137 (E_RNA) where: Base-Base interactions energy: -66.964 where: short stacking energy: -24.750 Base-Backbone interact. energy: -0.007 local terms energy: -22.143265 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -0.695 tors. eta vs tors. theta energy: -4.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -60.074969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.074969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.074969 (E_RNA) where: Base-Base interactions energy: -28.740 where: short stacking energy: -28.740 Base-Backbone interact. energy: -0.070 local terms energy: -31.265577 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -6.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -80.461318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.461318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.461318 (E_RNA) where: Base-Base interactions energy: -60.043 where: short stacking energy: -22.114 Base-Backbone interact. energy: -0.004 local terms energy: -20.414598 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -6.243 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: 1.415 tors. eta vs tors. theta energy: -5.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -50.882634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.882634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.882634 (E_RNA) where: Base-Base interactions energy: -21.869 where: short stacking energy: -21.869 Base-Backbone interact. energy: -0.014 local terms energy: -28.999887 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -6.437 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -6.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -36.082082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.082082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.082082 (E_RNA) where: Base-Base interactions energy: -14.297 where: short stacking energy: -10.098 Base-Backbone interact. energy: -0.163 local terms energy: -21.622291 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -3.168 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -39.468902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.468902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.468902 (E_RNA) where: Base-Base interactions energy: -17.380 where: short stacking energy: -17.380 Base-Backbone interact. energy: -0.008 local terms energy: -22.081432 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -4.163 flat angles P-C4'-P energy: -3.625 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: 8 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -37.880007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.880007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.880007 (E_RNA) where: Base-Base interactions energy: -12.832 where: short stacking energy: -12.490 Base-Backbone interact. energy: -0.005 local terms energy: -25.042750 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -5.644 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: 10 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -87.664372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.664372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.664372 (E_RNA) where: Base-Base interactions energy: -61.612 where: short stacking energy: -24.886 Base-Backbone interact. energy: -0.001 local terms energy: -26.051530 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -3.381 tors. eta vs tors. theta energy: -2.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -85.965609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.965609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.965609 (E_RNA) where: Base-Base interactions energy: -61.531 where: short stacking energy: -23.567 Base-Backbone interact. energy: -0.002 local terms energy: -24.432992 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: 0.733 tors. eta vs tors. theta energy: -6.017 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: 1 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -89.694291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.694291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.694291 (E_RNA) where: Base-Base interactions energy: -63.157 where: short stacking energy: -25.788 Base-Backbone interact. energy: -0.805 local terms energy: -25.732159 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -94.129163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.129163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.129163 (E_RNA) where: Base-Base interactions energy: -66.775 where: short stacking energy: -24.732 Base-Backbone interact. energy: -0.116 local terms energy: -27.238274 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -3.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -82.510941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.510941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.510941 (E_RNA) where: Base-Base interactions energy: -58.683 where: short stacking energy: -20.768 Base-Backbone interact. energy: -0.020 local terms energy: -23.807915 where: bonds (distance) C4'-P energy: -4.536 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -1.472 tors. eta vs tors. theta energy: -4.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -44.676337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.676337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.676337 (E_RNA) where: Base-Base interactions energy: -15.346 where: short stacking energy: -15.346 Base-Backbone interact. energy: -0.088 local terms energy: -29.242431 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -2.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -48.620814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.620814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.620814 (E_RNA) where: Base-Base interactions energy: -24.827 where: short stacking energy: -24.827 Base-Backbone interact. energy: -0.001 local terms energy: -23.792966 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.169 flat angles P-C4'-P energy: -2.735 tors. eta vs tors. theta energy: -7.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -50.686668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.686668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.686668 (E_RNA) where: Base-Base interactions energy: -25.543 where: short stacking energy: -13.053 Base-Backbone interact. energy: 0.970 local terms energy: -26.114032 where: bonds (distance) C4'-P energy: -5.339 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -7.238 flat angles P-C4'-P energy: -3.171 tors. eta vs tors. theta energy: -3.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -42.764014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.764014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.764014 (E_RNA) where: Base-Base interactions energy: -22.251 where: short stacking energy: -17.673 Base-Backbone interact. energy: -0.000 local terms energy: -20.512434 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -6.091 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -0.382 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -40.019179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.019179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.019179 (E_RNA) where: Base-Base interactions energy: -19.707 where: short stacking energy: -13.359 Base-Backbone interact. energy: 0.929 local terms energy: -21.241495 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: 0.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -90.425362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.425362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.425362 (E_RNA) where: Base-Base interactions energy: -63.564 where: short stacking energy: -20.923 Base-Backbone interact. energy: -0.354 local terms energy: -26.507708 where: bonds (distance) C4'-P energy: -5.587 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -2.754 tors. eta vs tors. theta energy: -6.296 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: 2, replica: 1 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -96.622355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.622355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.622355 (E_RNA) where: Base-Base interactions energy: -70.307 where: short stacking energy: -28.464 Base-Backbone interact. energy: -0.012 local terms energy: -26.303533 where: bonds (distance) C4'-P energy: -6.025 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -2.491 tors. eta vs tors. theta energy: -4.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -80.856201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.856201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.856201 (E_RNA) where: Base-Base interactions energy: -57.626 where: short stacking energy: -23.737 Base-Backbone interact. energy: -0.000 local terms energy: -23.229591 where: bonds (distance) C4'-P energy: -5.164 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -1.996 tors. eta vs tors. theta energy: -3.027 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: 4, replica: 4 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -86.227410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.227410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.227410 (E_RNA) where: Base-Base interactions energy: -62.968 where: short stacking energy: -24.172 Base-Backbone interact. energy: -0.004 local terms energy: -23.255070 where: bonds (distance) C4'-P energy: -4.775 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -2.428 tors. eta vs tors. theta energy: -5.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -86.277093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.277093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.277093 (E_RNA) where: Base-Base interactions energy: -63.884 where: short stacking energy: -24.821 Base-Backbone interact. energy: 0.173 local terms energy: -22.566648 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -0.670 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -42.375229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.375229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.375229 (E_RNA) where: Base-Base interactions energy: -17.100 where: short stacking energy: -12.449 Base-Backbone interact. energy: -0.072 local terms energy: -25.202700 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -0.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -48.774056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.774056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.774056 (E_RNA) where: Base-Base interactions energy: -21.584 where: short stacking energy: -21.584 Base-Backbone interact. energy: -0.001 local terms energy: -27.189429 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -2.660 tors. eta vs tors. theta energy: -4.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -46.022296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.022296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.022296 (E_RNA) where: Base-Base interactions energy: -22.362 where: short stacking energy: -22.362 Base-Backbone interact. energy: -0.112 local terms energy: -23.547992 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: -2.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -67.382346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.382346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.382346 (E_RNA) where: Base-Base interactions energy: -44.103 where: short stacking energy: -16.030 Base-Backbone interact. energy: -0.086 local terms energy: -23.192914 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -1.506 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: 10, replica: 8 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -35.380228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.380228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.380228 (E_RNA) where: Base-Base interactions energy: -14.095 where: short stacking energy: -14.095 Base-Backbone interact. energy: -0.015 local terms energy: -21.270358 where: bonds (distance) C4'-P energy: -3.806 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -2.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -93.400564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.400564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.400564 (E_RNA) where: Base-Base interactions energy: -73.787 where: short stacking energy: -30.232 Base-Backbone interact. energy: -0.005 local terms energy: -19.608101 where: bonds (distance) C4'-P energy: -1.778 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -0.556 tors. eta vs tors. theta energy: -4.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -87.300637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.300637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.300637 (E_RNA) where: Base-Base interactions energy: -61.924 where: short stacking energy: -24.476 Base-Backbone interact. energy: -0.000 local terms energy: -25.376022 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -0.130 tors. eta vs tors. theta energy: -5.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -84.063814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.063814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.063814 (E_RNA) where: Base-Base interactions energy: -59.552 where: short stacking energy: -21.999 Base-Backbone interact. energy: -0.001 local terms energy: -24.510452 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -2.332 tors. eta vs tors. theta energy: -3.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -83.534410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.534410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.534410 (E_RNA) where: Base-Base interactions energy: -62.268 where: short stacking energy: -26.562 Base-Backbone interact. energy: -0.022 local terms energy: -21.244346 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: 1.162 tors. eta vs tors. theta energy: -4.696 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: 6 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -84.221540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.221540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.221540 (E_RNA) where: Base-Base interactions energy: -61.280 where: short stacking energy: -21.966 Base-Backbone interact. energy: -0.009 local terms energy: -22.932533 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.355 flat angles P-C4'-P energy: -1.646 tors. eta vs tors. theta energy: -4.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -43.980533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.980533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.980533 (E_RNA) where: Base-Base interactions energy: -19.558 where: short stacking energy: -19.558 Base-Backbone interact. energy: -0.010 local terms energy: -24.412437 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: -4.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -44.779045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.779045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.779045 (E_RNA) where: Base-Base interactions energy: -19.018 where: short stacking energy: -19.018 Base-Backbone interact. energy: -0.000 local terms energy: -25.760540 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -2.725 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: 438 Temperature: 1.250000 Total energy: -43.899424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.899424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.899424 (E_RNA) where: Base-Base interactions energy: -22.299 where: short stacking energy: -22.299 Base-Backbone interact. energy: -0.006 local terms energy: -21.594265 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.185 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -46.546560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.546560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.546560 (E_RNA) where: Base-Base interactions energy: -23.224 where: short stacking energy: -23.224 Base-Backbone interact. energy: -0.059 local terms energy: -23.264056 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -2.343 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -4.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -39.558923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.558923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.558923 (E_RNA) where: Base-Base interactions energy: -26.400 where: short stacking energy: -15.306 Base-Backbone interact. energy: 1.011 local terms energy: -14.170502 where: bonds (distance) C4'-P energy: -4.437 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -4.105 flat angles P-C4'-P energy: -2.552 tors. eta vs tors. theta energy: 2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -95.579179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.579179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.579179 (E_RNA) where: Base-Base interactions energy: -72.273 where: short stacking energy: -26.840 Base-Backbone interact. energy: -0.014 local terms energy: -23.292373 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -2.020 tors. eta vs tors. theta energy: -4.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -91.122728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.122728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.122728 (E_RNA) where: Base-Base interactions energy: -68.801 where: short stacking energy: -28.439 Base-Backbone interact. energy: -0.020 local terms energy: -22.302589 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: 3.389 tors. eta vs tors. theta energy: -5.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -81.067787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.067787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.067787 (E_RNA) where: Base-Base interactions energy: -53.332 where: short stacking energy: -23.074 Base-Backbone interact. energy: -0.099 local terms energy: -27.637038 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.307 flat angles P-C4'-P energy: -2.709 tors. eta vs tors. theta energy: -3.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -84.405733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.405733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.405733 (E_RNA) where: Base-Base interactions energy: -61.436 where: short stacking energy: -23.953 Base-Backbone interact. energy: -0.005 local terms energy: -22.965125 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -1.535 tors. eta vs tors. theta energy: -3.976 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: 9 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -81.210824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.210824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.210824 (E_RNA) where: Base-Base interactions energy: -59.414 where: short stacking energy: -27.095 Base-Backbone interact. energy: -0.004 local terms energy: -21.792586 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: 4.563 tors. eta vs tors. theta energy: -6.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -54.035173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.035173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.035173 (E_RNA) where: Base-Base interactions energy: -27.119 where: short stacking energy: -27.119 Base-Backbone interact. energy: -0.000 local terms energy: -26.915615 where: bonds (distance) C4'-P energy: -3.054 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -47.610691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.610691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.610691 (E_RNA) where: Base-Base interactions energy: -28.392 where: short stacking energy: -13.615 Base-Backbone interact. energy: -0.157 local terms energy: -19.061965 where: bonds (distance) C4'-P energy: -3.633 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -0.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -47.988342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.988342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.988342 (E_RNA) where: Base-Base interactions energy: -20.207 where: short stacking energy: -20.207 Base-Backbone interact. energy: -0.002 local terms energy: -27.778727 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -5.587 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: 7 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -43.262309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.262309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.262309 (E_RNA) where: Base-Base interactions energy: -20.337 where: short stacking energy: -20.337 Base-Backbone interact. energy: -0.001 local terms energy: -22.924924 where: bonds (distance) C4'-P energy: -2.027 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -3.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -42.664671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.664671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.664671 (E_RNA) where: Base-Base interactions energy: -16.439 where: short stacking energy: -15.357 Base-Backbone interact. energy: -0.001 local terms energy: -26.224652 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -1.963 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: 4 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -90.820455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.820455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.820455 (E_RNA) where: Base-Base interactions energy: -65.376 where: short stacking energy: -21.827 Base-Backbone interact. energy: -0.204 local terms energy: -25.240756 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -0.241 tors. eta vs tors. theta energy: -6.909 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: 1 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -95.567884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.567884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.567884 (E_RNA) where: Base-Base interactions energy: -70.404 where: short stacking energy: -27.786 Base-Backbone interact. energy: -0.019 local terms energy: -25.145417 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -3.107 flat angles P-C4'-P energy: -2.178 tors. eta vs tors. theta energy: -5.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -81.900100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.900100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.900100 (E_RNA) where: Base-Base interactions energy: -52.905 where: short stacking energy: -21.222 Base-Backbone interact. energy: -0.001 local terms energy: -28.994178 where: bonds (distance) C4'-P energy: -6.220 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -81.014278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.014278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.014278 (E_RNA) where: Base-Base interactions energy: -58.916 where: short stacking energy: -23.042 Base-Backbone interact. energy: 0.426 local terms energy: -22.524111 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -5.044 flat angles C4'-P-C4' energy: -3.013 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -6.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -79.694130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.694130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.694130 (E_RNA) where: Base-Base interactions energy: -52.278 where: short stacking energy: -19.374 Base-Backbone interact. energy: -0.000 local terms energy: -27.415838 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -3.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -52.102312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.102312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.102312 (E_RNA) where: Base-Base interactions energy: -26.542 where: short stacking energy: -10.859 Base-Backbone interact. energy: -0.215 local terms energy: -25.344895 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -1.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -43.280574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.280574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.280574 (E_RNA) where: Base-Base interactions energy: -20.023 where: short stacking energy: -20.023 Base-Backbone interact. energy: -0.000 local terms energy: -23.257004 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -2.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -38.873142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.873142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.873142 (E_RNA) where: Base-Base interactions energy: -18.357 where: short stacking energy: -18.357 Base-Backbone interact. energy: -0.113 local terms energy: -20.402954 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -3.434 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -0.800 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: 5 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -40.753355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.753355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.753355 (E_RNA) where: Base-Base interactions energy: -16.105 where: short stacking energy: -16.105 Base-Backbone interact. energy: -0.000 local terms energy: -24.648538 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.955 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -4.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -46.675785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.675785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.675785 (E_RNA) where: Base-Base interactions energy: -19.478 where: short stacking energy: -19.478 Base-Backbone interact. energy: -0.000 local terms energy: -27.197092 where: bonds (distance) C4'-P energy: -3.222 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -4.830 tors. eta vs tors. theta energy: -5.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -93.960830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.960830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.960830 (E_RNA) where: Base-Base interactions energy: -71.191 where: short stacking energy: -27.571 Base-Backbone interact. energy: -0.077 local terms energy: -22.693210 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.581 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: 0.915 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: 2, replica: 6 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -78.913838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.913838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.913838 (E_RNA) where: Base-Base interactions energy: -51.559 where: short stacking energy: -20.936 Base-Backbone interact. energy: -0.054 local terms energy: -27.300616 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -5.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -98.030839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.030839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.030839 (E_RNA) where: Base-Base interactions energy: -72.544 where: short stacking energy: -26.837 Base-Backbone interact. energy: -0.033 local terms energy: -25.454334 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -1.150 tors. eta vs tors. theta energy: -5.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -81.030080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.030080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.030080 (E_RNA) where: Base-Base interactions energy: -58.779 where: short stacking energy: -21.562 Base-Backbone interact. energy: 0.947 local terms energy: -23.198084 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -0.904 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -79.594976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.594976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.594976 (E_RNA) where: Base-Base interactions energy: -53.285 where: short stacking energy: -24.661 Base-Backbone interact. energy: -0.003 local terms energy: -26.306861 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -1.266 tors. eta vs tors. theta energy: -5.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -49.950899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.950899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.950899 (E_RNA) where: Base-Base interactions energy: -23.386 where: short stacking energy: -23.386 Base-Backbone interact. energy: -0.053 local terms energy: -26.511924 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -3.381 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -55.713758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.713758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.713758 (E_RNA) where: Base-Base interactions energy: -26.873 where: short stacking energy: -26.873 Base-Backbone interact. energy: -0.000 local terms energy: -28.840679 where: bonds (distance) C4'-P energy: -3.393 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -5.413 tors. eta vs tors. theta energy: -8.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -38.906837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.906837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.906837 (E_RNA) where: Base-Base interactions energy: -15.208 where: short stacking energy: -15.208 Base-Backbone interact. energy: -0.010 local terms energy: -23.688449 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -3.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -40.503471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.503471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.503471 (E_RNA) where: Base-Base interactions energy: -15.228 where: short stacking energy: -3.670 Base-Backbone interact. energy: -1.018 local terms energy: -24.257904 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: 0.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -38.856078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.856078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.856078 (E_RNA) where: Base-Base interactions energy: -16.352 where: short stacking energy: -16.352 Base-Backbone interact. energy: -0.008 local terms energy: -22.496215 where: bonds (distance) C4'-P energy: -5.016 bonds (distance) P-C4' energy: -5.163 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -2.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -93.342965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.342965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.342965 (E_RNA) where: Base-Base interactions energy: -70.329 where: short stacking energy: -26.726 Base-Backbone interact. energy: 0.113 local terms energy: -23.127543 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: 1.592 tors. eta vs tors. theta energy: -6.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -93.974712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.974712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.974712 (E_RNA) where: Base-Base interactions energy: -68.790 where: short stacking energy: -25.669 Base-Backbone interact. energy: -0.007 local terms energy: -25.178444 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -0.360 tors. eta vs tors. theta energy: -4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -93.409233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.409233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.409233 (E_RNA) where: Base-Base interactions energy: -65.580 where: short stacking energy: -25.901 Base-Backbone interact. energy: -0.027 local terms energy: -27.802092 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.906 flat angles P-C4'-P energy: -2.153 tors. eta vs tors. theta energy: -4.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -80.650686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.650686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.650686 (E_RNA) where: Base-Base interactions energy: -57.721 where: short stacking energy: -20.829 Base-Backbone interact. energy: -0.148 local terms energy: -22.781687 where: bonds (distance) C4'-P energy: -5.095 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -0.455 tors. eta vs tors. theta energy: -4.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -49.470304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.470304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.470304 (E_RNA) where: Base-Base interactions energy: -17.904 where: short stacking energy: -17.904 Base-Backbone interact. energy: -0.083 local terms energy: -31.483002 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -4.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -76.280175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.280175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.280175 (E_RNA) where: Base-Base interactions energy: -52.086 where: short stacking energy: -21.327 Base-Backbone interact. energy: 0.677 local terms energy: -24.871340 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.345 flat angles P-C4'-P energy: -0.874 tors. eta vs tors. theta energy: -4.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -46.364718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.364718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.364718 (E_RNA) where: Base-Base interactions energy: -24.322 where: short stacking energy: -24.322 Base-Backbone interact. energy: -0.000 local terms energy: -22.042341 where: bonds (distance) C4'-P energy: -3.475 bonds (distance) P-C4' energy: -4.626 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -2.267 tors. eta vs tors. theta energy: -5.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -44.402419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.402419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.402419 (E_RNA) where: Base-Base interactions energy: -23.664 where: short stacking energy: -17.306 Base-Backbone interact. energy: -0.000 local terms energy: -20.738082 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -6.918 flat angles P-C4'-P energy: 0.356 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -42.117532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.117532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.117532 (E_RNA) where: Base-Base interactions energy: -19.716 where: short stacking energy: -19.716 Base-Backbone interact. energy: -0.004 local terms energy: -22.397585 where: bonds (distance) C4'-P energy: -3.562 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -1.996 tors. eta vs tors. theta energy: -6.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -39.584486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.584486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.584486 (E_RNA) where: Base-Base interactions energy: -14.101 where: short stacking energy: -14.101 Base-Backbone interact. energy: -0.095 local terms energy: -25.387736 where: bonds (distance) C4'-P energy: -4.506 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -3.259 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: 1, replica: 4 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -91.244355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.244355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.244355 (E_RNA) where: Base-Base interactions energy: -68.051 where: short stacking energy: -24.832 Base-Backbone interact. energy: -0.004 local terms energy: -23.190031 where: bonds (distance) C4'-P energy: -6.482 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: 0.460 tors. eta vs tors. theta energy: -4.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -94.535865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.535865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.535865 (E_RNA) where: Base-Base interactions energy: -70.970 where: short stacking energy: -25.842 Base-Backbone interact. energy: -0.101 local terms energy: -23.465278 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.050 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -1.491 tors. eta vs tors. theta energy: -4.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -90.167227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.167227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.167227 (E_RNA) where: Base-Base interactions energy: -68.419 where: short stacking energy: -23.874 Base-Backbone interact. energy: -0.225 local terms energy: -21.523977 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: 2.126 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -80.294830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.294830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.294830 (E_RNA) where: Base-Base interactions energy: -56.906 where: short stacking energy: -21.697 Base-Backbone interact. energy: -0.009 local terms energy: -23.379938 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -1.293 tors. eta vs tors. theta energy: -3.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -50.426312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.426312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.426312 (E_RNA) where: Base-Base interactions energy: -22.353 where: short stacking energy: -20.232 Base-Backbone interact. energy: -0.001 local terms energy: -28.072593 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -3.165 tors. eta vs tors. theta energy: -5.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -60.137804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.137804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.137804 (E_RNA) where: Base-Base interactions energy: -34.646 where: short stacking energy: -13.914 Base-Backbone interact. energy: -0.267 local terms energy: -25.224444 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -6.433 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -3.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -45.817750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.817750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.817750 (E_RNA) where: Base-Base interactions energy: -26.283 where: short stacking energy: -21.471 Base-Backbone interact. energy: -0.001 local terms energy: -19.533327 where: bonds (distance) C4'-P energy: -2.076 bonds (distance) P-C4' energy: -4.345 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -4.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -47.921847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.921847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.921847 (E_RNA) where: Base-Base interactions energy: -19.847 where: short stacking energy: -19.847 Base-Backbone interact. energy: -0.000 local terms energy: -28.074465 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -7.170 flat angles P-C4'-P energy: -2.523 tors. eta vs tors. theta energy: -5.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -46.520545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.520545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.520545 (E_RNA) where: Base-Base interactions energy: -22.570 where: short stacking energy: -22.570 Base-Backbone interact. energy: -0.001 local terms energy: -23.949403 where: bonds (distance) C4'-P energy: -4.536 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -49.387092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.387092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.387092 (E_RNA) where: Base-Base interactions energy: -23.663 where: short stacking energy: -23.663 Base-Backbone interact. energy: -0.000 local terms energy: -25.724286 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -3.706 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -6.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -95.270354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.270354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.270354 (E_RNA) where: Base-Base interactions energy: -70.336 where: short stacking energy: -26.751 Base-Backbone interact. energy: -0.058 local terms energy: -24.875908 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -3.670 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: 4 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -87.798772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.798772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.798772 (E_RNA) where: Base-Base interactions energy: -62.452 where: short stacking energy: -22.638 Base-Backbone interact. energy: -0.083 local terms energy: -25.263496 where: bonds (distance) C4'-P energy: -4.366 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -1.285 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: 3, replica: 6 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -93.976737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.976737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.976737 (E_RNA) where: Base-Base interactions energy: -71.896 where: short stacking energy: -25.674 Base-Backbone interact. energy: -0.002 local terms energy: -22.078156 where: bonds (distance) C4'-P energy: -5.727 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: 2.776 tors. eta vs tors. theta energy: -5.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -83.775750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.775750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.775750 (E_RNA) where: Base-Base interactions energy: -61.871 where: short stacking energy: -24.765 Base-Backbone interact. energy: -0.005 local terms energy: -21.899447 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -4.947 flat angles P-C4'-P energy: -0.277 tors. eta vs tors. theta energy: -2.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -52.417629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.417629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.417629 (E_RNA) where: Base-Base interactions energy: -26.890 where: short stacking energy: -26.890 Base-Backbone interact. energy: -0.000 local terms energy: -25.527113 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -4.086 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -6.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -50.890431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.890431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.890431 (E_RNA) where: Base-Base interactions energy: -24.539 where: short stacking energy: -22.246 Base-Backbone interact. energy: -0.000 local terms energy: -26.351435 where: bonds (distance) C4'-P energy: -4.325 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -3.022 tors. eta vs tors. theta energy: -5.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -42.427968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.427968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.427968 (E_RNA) where: Base-Base interactions energy: -18.387 where: short stacking energy: -18.387 Base-Backbone interact. energy: -0.023 local terms energy: -24.017482 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -2.425 tors. eta vs tors. theta energy: -2.816 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: 8, replica: 5 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -41.625449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.625449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.625449 (E_RNA) where: Base-Base interactions energy: -25.609 where: short stacking energy: -12.243 Base-Backbone interact. energy: -0.001 local terms energy: -16.015226 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: 1.168 tors. eta vs tors. theta energy: 0.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -38.606298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.606298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.606298 (E_RNA) where: Base-Base interactions energy: -17.914 where: short stacking energy: -17.844 Base-Backbone interact. energy: -0.000 local terms energy: -20.691650 where: bonds (distance) C4'-P energy: -5.493 bonds (distance) P-C4' energy: -1.853 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -0.691 tors. eta vs tors. theta energy: -6.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -40.197732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.197732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.197732 (E_RNA) where: Base-Base interactions energy: -23.139 where: short stacking energy: -19.553 Base-Backbone interact. energy: -0.003 local terms energy: -17.054987 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -3.061 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -2.259 tors. eta vs tors. theta energy: 0.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -97.920043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.920043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.920043 (E_RNA) where: Base-Base interactions energy: -70.671 where: short stacking energy: -28.445 Base-Backbone interact. energy: -0.025 local terms energy: -27.223891 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -1.775 tors. eta vs tors. theta energy: -5.996 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: 2, replica: 6 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -93.032145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.032145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.032145 (E_RNA) where: Base-Base interactions energy: -68.445 where: short stacking energy: -24.740 Base-Backbone interact. energy: -0.043 local terms energy: -24.543664 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: 1.462 tors. eta vs tors. theta energy: -5.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -78.366064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.366064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.366064 (E_RNA) where: Base-Base interactions energy: -54.720 where: short stacking energy: -19.671 Base-Backbone interact. energy: -0.043 local terms energy: -23.603323 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -2.008 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: 4, replica: 10 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -83.862640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.862640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.862640 (E_RNA) where: Base-Base interactions energy: -61.714 where: short stacking energy: -24.103 Base-Backbone interact. energy: -0.002 local terms energy: -22.146029 where: bonds (distance) C4'-P energy: -6.025 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: 0.888 tors. eta vs tors. theta energy: -3.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -57.348359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.348359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.348359 (E_RNA) where: Base-Base interactions energy: -24.268 where: short stacking energy: -24.268 Base-Backbone interact. energy: -0.000 local terms energy: -33.080547 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -7.316 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: -7.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -46.287729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.287729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.287729 (E_RNA) where: Base-Base interactions energy: -22.600 where: short stacking energy: -22.600 Base-Backbone interact. energy: -0.074 local terms energy: -23.613341 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -0.949 tors. eta vs tors. theta energy: -3.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -49.576382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.576382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.576382 (E_RNA) where: Base-Base interactions energy: -26.953 where: short stacking energy: -22.433 Base-Backbone interact. energy: -0.000 local terms energy: -22.623504 where: bonds (distance) C4'-P energy: -1.645 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.683 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -6.303 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: 8 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -41.877042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.877042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.877042 (E_RNA) where: Base-Base interactions energy: -20.293 where: short stacking energy: -20.293 Base-Backbone interact. energy: -0.000 local terms energy: -21.583966 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -4.079 flat angles P-C4'-P energy: -1.269 tors. eta vs tors. theta energy: -4.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -47.955617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.955617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.955617 (E_RNA) where: Base-Base interactions energy: -21.317 where: short stacking energy: -21.317 Base-Backbone interact. energy: -0.013 local terms energy: -26.625774 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: -4.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -33.056701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.056701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.056701 (E_RNA) where: Base-Base interactions energy: -14.885 where: short stacking energy: -12.666 Base-Backbone interact. energy: -0.001 local terms energy: -18.170656 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -3.678 flat angles P-C4'-P energy: -2.665 tors. eta vs tors. theta energy: -1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -83.173760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.173760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.173760 (E_RNA) where: Base-Base interactions energy: -57.368 where: short stacking energy: -23.585 Base-Backbone interact. energy: -0.007 local terms energy: -25.798953 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -1.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -92.047057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.047057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.047057 (E_RNA) where: Base-Base interactions energy: -66.608 where: short stacking energy: -24.227 Base-Backbone interact. energy: -0.001 local terms energy: -25.437996 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -2.018 tors. eta vs tors. theta energy: -3.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -86.631541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.631541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.631541 (E_RNA) where: Base-Base interactions energy: -62.276 where: short stacking energy: -21.717 Base-Backbone interact. energy: -0.001 local terms energy: -24.354743 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.392 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -1.688 tors. eta vs tors. theta energy: -5.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -77.428064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.428064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.428064 (E_RNA) where: Base-Base interactions energy: -51.464 where: short stacking energy: -23.885 Base-Backbone interact. energy: -0.002 local terms energy: -25.962626 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -6.783 flat angles C4'-P-C4' energy: -4.247 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -6.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -53.747077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.747077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.747077 (E_RNA) where: Base-Base interactions energy: -34.314 where: short stacking energy: -17.727 Base-Backbone interact. energy: -0.162 local terms energy: -19.270840 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -2.344 tors. eta vs tors. theta energy: -1.123 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: 9 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -52.320256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.320256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.320256 (E_RNA) where: Base-Base interactions energy: -23.028 where: short stacking energy: -23.028 Base-Backbone interact. energy: -0.001 local terms energy: -29.290963 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -4.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -44.450350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.450350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.450350 (E_RNA) where: Base-Base interactions energy: -19.891 where: short stacking energy: -19.891 Base-Backbone interact. energy: -0.000 local terms energy: -24.558972 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.719 flat angles P-C4'-P energy: -2.806 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: 2 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -50.137810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.137810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.137810 (E_RNA) where: Base-Base interactions energy: -21.541 where: short stacking energy: -21.541 Base-Backbone interact. energy: -0.486 local terms energy: -28.111567 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -6.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -40.367257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.367257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.367257 (E_RNA) where: Base-Base interactions energy: -21.017 where: short stacking energy: -15.391 Base-Backbone interact. energy: -0.018 local terms energy: -19.332038 where: bonds (distance) C4'-P energy: -2.755 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -2.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -37.320023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.320023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.320023 (E_RNA) where: Base-Base interactions energy: -11.916 where: short stacking energy: -11.916 Base-Backbone interact. energy: -0.043 local terms energy: -25.361208 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -1.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -84.711053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.711053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.711053 (E_RNA) where: Base-Base interactions energy: -56.548 where: short stacking energy: -23.868 Base-Backbone interact. energy: -0.000 local terms energy: -28.162323 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: -3.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -91.031033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.031033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.031033 (E_RNA) where: Base-Base interactions energy: -64.791 where: short stacking energy: -24.825 Base-Backbone interact. energy: -0.009 local terms energy: -26.231006 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -1.147 tors. eta vs tors. theta energy: -4.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -81.849627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.849627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.849627 (E_RNA) where: Base-Base interactions energy: -59.928 where: short stacking energy: -21.410 Base-Backbone interact. energy: -0.019 local terms energy: -21.903242 where: bonds (distance) C4'-P energy: -5.633 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -2.191 tors. eta vs tors. theta energy: -1.740 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: 4, replica: 4 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -78.867989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.867989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.867989 (E_RNA) where: Base-Base interactions energy: -51.607 where: short stacking energy: -21.528 Base-Backbone interact. energy: -0.004 local terms energy: -27.257437 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -4.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -46.168235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.168235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.168235 (E_RNA) where: Base-Base interactions energy: -24.266 where: short stacking energy: -22.939 Base-Backbone interact. energy: -0.001 local terms energy: -21.901329 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -2.368 tors. eta vs tors. theta energy: -5.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -40.596465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.596465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.596465 (E_RNA) where: Base-Base interactions energy: -17.044 where: short stacking energy: -17.044 Base-Backbone interact. energy: -0.002 local terms energy: -23.550743 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.174 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -1.831 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: 9 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -46.702360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.702360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.702360 (E_RNA) where: Base-Base interactions energy: -22.525 where: short stacking energy: -17.918 Base-Backbone interact. energy: -0.122 local terms energy: -24.055975 where: bonds (distance) C4'-P energy: -5.579 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -46.914759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.914759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.914759 (E_RNA) where: Base-Base interactions energy: -20.401 where: short stacking energy: -19.357 Base-Backbone interact. energy: -0.032 local terms energy: -26.481272 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -2.996 tors. eta vs tors. theta energy: -2.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -44.603392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.603392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.603392 (E_RNA) where: Base-Base interactions energy: -19.847 where: short stacking energy: -19.847 Base-Backbone interact. energy: -0.000 local terms energy: -24.756338 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -3.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -36.074272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.074272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.074272 (E_RNA) where: Base-Base interactions energy: -12.531 where: short stacking energy: -11.562 Base-Backbone interact. energy: -0.076 local terms energy: -23.467365 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -4.465 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -3.160 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: 10 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -92.744650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.744650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.744650 (E_RNA) where: Base-Base interactions energy: -69.062 where: short stacking energy: -24.788 Base-Backbone interact. energy: -0.254 local terms energy: -23.428698 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: 0.321 tors. eta vs tors. theta energy: -4.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -81.640275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.640275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.640275 (E_RNA) where: Base-Base interactions energy: -57.812 where: short stacking energy: -17.484 Base-Backbone interact. energy: -0.014 local terms energy: -23.814952 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -3.225 tors. eta vs tors. theta energy: -2.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -81.525444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.525444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.525444 (E_RNA) where: Base-Base interactions energy: -57.991 where: short stacking energy: -19.459 Base-Backbone interact. energy: -0.000 local terms energy: -23.534129 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.881 flat angles P-C4'-P energy: 0.211 tors. eta vs tors. theta energy: -2.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -79.258319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.258319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.258319 (E_RNA) where: Base-Base interactions energy: -49.386 where: short stacking energy: -20.420 Base-Backbone interact. energy: -0.008 local terms energy: -29.864250 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -53.387474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.387474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.387474 (E_RNA) where: Base-Base interactions energy: -35.638 where: short stacking energy: -13.940 Base-Backbone interact. energy: -0.107 local terms energy: -17.642271 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -2.201 flat angles P-C4'-P energy: -4.365 tors. eta vs tors. theta energy: -0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -54.504069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.504069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.504069 (E_RNA) where: Base-Base interactions energy: -31.846 where: short stacking energy: -22.446 Base-Backbone interact. energy: -0.000 local terms energy: -22.657868 where: bonds (distance) C4'-P energy: -5.103 bonds (distance) P-C4' energy: -3.071 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -3.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -49.161833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.161833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.161833 (E_RNA) where: Base-Base interactions energy: -28.742 where: short stacking energy: -28.742 Base-Backbone interact. energy: -0.001 local terms energy: -20.418419 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -2.480 tors. eta vs tors. theta energy: -5.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -40.950819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.950819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.950819 (E_RNA) where: Base-Base interactions energy: -19.601 where: short stacking energy: -10.464 Base-Backbone interact. energy: -0.117 local terms energy: -21.232214 where: bonds (distance) C4'-P energy: -5.371 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -3.693 tors. eta vs tors. theta energy: 1.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -38.509213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.509213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.509213 (E_RNA) where: Base-Base interactions energy: -18.668 where: short stacking energy: -18.668 Base-Backbone interact. energy: -0.001 local terms energy: -19.840086 where: bonds (distance) C4'-P energy: -4.387 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -3.804 flat angles P-C4'-P energy: -1.633 tors. eta vs tors. theta energy: -3.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -41.270308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.270308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.270308 (E_RNA) where: Base-Base interactions energy: -22.677 where: short stacking energy: -22.677 Base-Backbone interact. energy: -0.025 local terms energy: -18.569069 where: bonds (distance) C4'-P energy: -2.755 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -3.141 flat angles P-C4'-P energy: -1.958 tors. eta vs tors. theta energy: -4.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -94.003670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.003670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.003670 (E_RNA) where: Base-Base interactions energy: -72.017 where: short stacking energy: -27.656 Base-Backbone interact. energy: -0.006 local terms energy: -21.980210 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -6.213 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: 0.660 tors. eta vs tors. theta energy: -4.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -94.304241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.304241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.304241 (E_RNA) where: Base-Base interactions energy: -71.584 where: short stacking energy: -28.932 Base-Backbone interact. energy: -0.023 local terms energy: -22.696738 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -3.711 flat angles P-C4'-P energy: 0.820 tors. eta vs tors. theta energy: -6.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -82.781930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.781930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.781930 (E_RNA) where: Base-Base interactions energy: -51.828 where: short stacking energy: -20.723 Base-Backbone interact. energy: -0.369 local terms energy: -30.584951 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -5.914 tors. eta vs tors. theta energy: -4.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -51.281222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.281222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.281222 (E_RNA) where: Base-Base interactions energy: -27.151 where: short stacking energy: -14.016 Base-Backbone interact. energy: -0.001 local terms energy: -24.129988 where: bonds (distance) C4'-P energy: -5.111 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -2.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -77.977811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.977811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.977811 (E_RNA) where: Base-Base interactions energy: -50.721 where: short stacking energy: -24.084 Base-Backbone interact. energy: -0.968 local terms energy: -26.288772 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -4.257 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: 6, replica: 3 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -47.961525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.961525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.961525 (E_RNA) where: Base-Base interactions energy: -19.670 where: short stacking energy: -19.670 Base-Backbone interact. energy: 0.359 local terms energy: -28.650702 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -6.309 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: 7 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -55.342353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.342353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.342353 (E_RNA) where: Base-Base interactions energy: -23.132 where: short stacking energy: -23.132 Base-Backbone interact. energy: -0.000 local terms energy: -32.209908 where: bonds (distance) C4'-P energy: -7.541 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -7.089 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -6.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -38.645816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.645816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.645816 (E_RNA) where: Base-Base interactions energy: -15.510 where: short stacking energy: -15.510 Base-Backbone interact. energy: -0.199 local terms energy: -22.937245 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -2.387 tors. eta vs tors. theta energy: -2.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -45.575960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.575960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.575960 (E_RNA) where: Base-Base interactions energy: -30.267 where: short stacking energy: -13.509 Base-Backbone interact. energy: -0.006 local terms energy: -15.303202 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: 0.985 flat angles P-C4'-P energy: -1.631 tors. eta vs tors. theta energy: -1.269 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: 2 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -35.558205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.558205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.558205 (E_RNA) where: Base-Base interactions energy: -13.250 where: short stacking energy: -12.484 Base-Backbone interact. energy: -0.041 local terms energy: -22.267212 where: bonds (distance) C4'-P energy: -5.102 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -1.862 tors. eta vs tors. theta energy: -1.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -93.710341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.710341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.710341 (E_RNA) where: Base-Base interactions energy: -71.179 where: short stacking energy: -29.175 Base-Backbone interact. energy: -0.215 local terms energy: -22.316851 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -6.957 flat angles P-C4'-P energy: 0.486 tors. eta vs tors. theta energy: -4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -92.975966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.975966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.975966 (E_RNA) where: Base-Base interactions energy: -70.790 where: short stacking energy: -29.362 Base-Backbone interact. energy: -0.034 local terms energy: -22.151886 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.511 flat angles P-C4'-P energy: 0.590 tors. eta vs tors. theta energy: -4.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -64.010017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.010017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.010017 (E_RNA) where: Base-Base interactions energy: -37.030 where: short stacking energy: -25.794 Base-Backbone interact. energy: -0.001 local terms energy: -26.979010 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -5.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -81.582585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.582585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.582585 (E_RNA) where: Base-Base interactions energy: -58.251 where: short stacking energy: -25.184 Base-Backbone interact. energy: -0.001 local terms energy: -23.331158 where: bonds (distance) C4'-P energy: -4.808 bonds (distance) P-C4' energy: -5.504 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -4.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -50.977432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.977432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.977432 (E_RNA) where: Base-Base interactions energy: -20.902 where: short stacking energy: -20.902 Base-Backbone interact. energy: -0.000 local terms energy: -30.075171 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: -6.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -81.131979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.131979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.131979 (E_RNA) where: Base-Base interactions energy: -59.350 where: short stacking energy: -22.646 Base-Backbone interact. energy: -0.083 local terms energy: -21.698747 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -5.282 flat angles P-C4'-P energy: -0.801 tors. eta vs tors. theta energy: -4.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -49.367088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.367088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.367088 (E_RNA) where: Base-Base interactions energy: -23.721 where: short stacking energy: -23.721 Base-Backbone interact. energy: -0.000 local terms energy: -25.646282 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -5.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -37.217249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.217249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.217249 (E_RNA) where: Base-Base interactions energy: -15.640 where: short stacking energy: -15.640 Base-Backbone interact. energy: -0.014 local terms energy: -21.562680 where: bonds (distance) C4'-P energy: -4.876 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -2.127 tors. eta vs tors. theta energy: -1.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -47.725271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.725271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.725271 (E_RNA) where: Base-Base interactions energy: -24.677 where: short stacking energy: -8.576 Base-Backbone interact. energy: -0.000 local terms energy: -23.047782 where: bonds (distance) C4'-P energy: -5.302 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: -1.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -45.922000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.922000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.922000 (E_RNA) where: Base-Base interactions energy: -21.396 where: short stacking energy: -21.396 Base-Backbone interact. energy: -0.000 local terms energy: -24.525943 where: bonds (distance) C4'-P energy: -4.548 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.595 flat angles P-C4'-P energy: -3.741 tors. eta vs tors. theta energy: -4.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -83.450342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.450342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.450342 (E_RNA) where: Base-Base interactions energy: -52.650 where: short stacking energy: -22.087 Base-Backbone interact. energy: -0.001 local terms energy: -30.800132 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -4.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -83.882035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.882035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.882035 (E_RNA) where: Base-Base interactions energy: -62.127 where: short stacking energy: -23.696 Base-Backbone interact. energy: -0.031 local terms energy: -21.724495 where: bonds (distance) C4'-P energy: -3.000 bonds (distance) P-C4' energy: -6.219 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -3.973 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: 3, replica: 8 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -63.230580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.230580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.230580 (E_RNA) where: Base-Base interactions energy: -30.059 where: short stacking energy: -30.059 Base-Backbone interact. energy: -0.000 local terms energy: -33.171359 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -7.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -54.060315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.060315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.060315 (E_RNA) where: Base-Base interactions energy: -28.430 where: short stacking energy: -28.430 Base-Backbone interact. energy: -0.000 local terms energy: -25.630413 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -3.224 tors. eta vs tors. theta energy: -4.767 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: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -80.178231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.178231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.178231 (E_RNA) where: Base-Base interactions energy: -58.200 where: short stacking energy: -25.358 Base-Backbone interact. energy: -0.042 local terms energy: -21.936772 where: bonds (distance) C4'-P energy: -3.903 bonds (distance) P-C4' energy: -4.511 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: 0.387 tors. eta vs tors. theta energy: -7.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -75.631559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.631559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.631559 (E_RNA) where: Base-Base interactions energy: -53.405 where: short stacking energy: -19.879 Base-Backbone interact. energy: 0.244 local terms energy: -22.470315 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -1.500 tors. eta vs tors. theta energy: -1.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -47.675944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.675944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.675944 (E_RNA) where: Base-Base interactions energy: -19.010 where: short stacking energy: -19.010 Base-Backbone interact. energy: -0.085 local terms energy: -28.580759 where: bonds (distance) C4'-P energy: -7.441 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -4.163 tors. eta vs tors. theta energy: -5.160 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: 9 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -44.893757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.893757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.893757 (E_RNA) where: Base-Base interactions energy: -21.019 where: short stacking energy: -19.453 Base-Backbone interact. energy: -0.000 local terms energy: -23.874552 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -2.771 tors. eta vs tors. theta energy: -4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -40.797243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.797243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.797243 (E_RNA) where: Base-Base interactions energy: -17.275 where: short stacking energy: -17.275 Base-Backbone interact. energy: -0.001 local terms energy: -23.521753 where: bonds (distance) C4'-P energy: -4.464 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -2.841 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -42.333631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.333631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.333631 (E_RNA) where: Base-Base interactions energy: -14.137 where: short stacking energy: -13.936 Base-Backbone interact. energy: -0.043 local terms energy: -28.154020 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -3.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -84.823289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.823289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.823289 (E_RNA) where: Base-Base interactions energy: -59.371 where: short stacking energy: -23.567 Base-Backbone interact. energy: -0.033 local terms energy: -25.420103 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -1.233 tors. eta vs tors. theta energy: -4.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -89.162249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.162249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.162249 (E_RNA) where: Base-Base interactions energy: -63.712 where: short stacking energy: -22.651 Base-Backbone interact. energy: -0.000 local terms energy: -25.449780 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -1.891 tors. eta vs tors. theta energy: -5.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -48.887248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.887248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.887248 (E_RNA) where: Base-Base interactions energy: -22.228 where: short stacking energy: -22.228 Base-Backbone interact. energy: -0.016 local terms energy: -26.642878 where: bonds (distance) C4'-P energy: -4.884 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -3.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -49.738052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.738052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.738052 (E_RNA) where: Base-Base interactions energy: -26.337 where: short stacking energy: -15.813 Base-Backbone interact. energy: -0.000 local terms energy: -23.401165 where: bonds (distance) C4'-P energy: -5.036 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -1.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -79.671696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.671696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.671696 (E_RNA) where: Base-Base interactions energy: -56.313 where: short stacking energy: -24.180 Base-Backbone interact. energy: -0.000 local terms energy: -23.358200 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -5.091 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -3.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -77.112092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.112092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.112092 (E_RNA) where: Base-Base interactions energy: -48.521 where: short stacking energy: -21.020 Base-Backbone interact. energy: -0.796 local terms energy: -27.794907 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -4.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -48.460096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.460096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.460096 (E_RNA) where: Base-Base interactions energy: -25.731 where: short stacking energy: -8.826 Base-Backbone interact. energy: -0.845 local terms energy: -21.883623 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: 0.038 tors. eta vs tors. theta energy: -2.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -48.210151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.210151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.210151 (E_RNA) where: Base-Base interactions energy: -24.959 where: short stacking energy: -19.676 Base-Backbone interact. energy: -0.000 local terms energy: -23.250824 where: bonds (distance) C4'-P energy: -4.207 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -4.831 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: 9, replica: 2 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -39.566534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.566534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.566534 (E_RNA) where: Base-Base interactions energy: -15.117 where: short stacking energy: -15.117 Base-Backbone interact. energy: -0.012 local terms energy: -24.438088 where: bonds (distance) C4'-P energy: -3.836 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -4.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -39.532427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.532427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.532427 (E_RNA) where: Base-Base interactions energy: -17.499 where: short stacking energy: -17.499 Base-Backbone interact. energy: -0.000 local terms energy: -22.032960 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -3.756 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -4.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -97.367073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.367073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.367073 (E_RNA) where: Base-Base interactions energy: -72.948 where: short stacking energy: -30.106 Base-Backbone interact. energy: -0.602 local terms energy: -23.816773 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: 1.427 tors. eta vs tors. theta energy: -6.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -79.647361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.647361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.647361 (E_RNA) where: Base-Base interactions energy: -52.407 where: short stacking energy: -17.551 Base-Backbone interact. energy: -0.679 local terms energy: -26.561670 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -2.166 tors. eta vs tors. theta energy: -6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -49.787343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.787343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.787343 (E_RNA) where: Base-Base interactions energy: -26.049 where: short stacking energy: -14.936 Base-Backbone interact. energy: -0.000 local terms energy: -23.737821 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: -0.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -58.989476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.989476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.989476 (E_RNA) where: Base-Base interactions energy: -32.484 where: short stacking energy: -22.631 Base-Backbone interact. energy: -0.018 local terms energy: -26.487465 where: bonds (distance) C4'-P energy: -3.749 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -4.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -81.535918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.535918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.535918 (E_RNA) where: Base-Base interactions energy: -59.086 where: short stacking energy: -24.662 Base-Backbone interact. energy: -0.018 local terms energy: -22.431429 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.265 flat angles P-C4'-P energy: 0.184 tors. eta vs tors. theta energy: -2.239 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: 9 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -51.124520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.124520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.124520 (E_RNA) where: Base-Base interactions energy: -25.426 where: short stacking energy: -25.426 Base-Backbone interact. energy: -0.002 local terms energy: -25.696326 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -1.826 tors. eta vs tors. theta energy: -5.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -75.961602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.961602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.961602 (E_RNA) where: Base-Base interactions energy: -53.376 where: short stacking energy: -23.361 Base-Backbone interact. energy: -0.001 local terms energy: -22.584563 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -4.716 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -4.213 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: 8, replica: 2 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -44.909444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.909444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.909444 (E_RNA) where: Base-Base interactions energy: -19.756 where: short stacking energy: -19.756 Base-Backbone interact. energy: -0.001 local terms energy: -25.152042 where: bonds (distance) C4'-P energy: -5.765 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -0.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -41.857876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.857876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.857876 (E_RNA) where: Base-Base interactions energy: -18.547 where: short stacking energy: -16.015 Base-Backbone interact. energy: -0.001 local terms energy: -23.309837 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -3.209 flat angles P-C4'-P energy: -5.456 tors. eta vs tors. theta energy: -4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -42.058003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.058003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.058003 (E_RNA) where: Base-Base interactions energy: -17.214 where: short stacking energy: -17.214 Base-Backbone interact. energy: 0.404 local terms energy: -25.248484 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -0.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -96.233873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.233873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.233873 (E_RNA) where: Base-Base interactions energy: -71.851 where: short stacking energy: -25.654 Base-Backbone interact. energy: -0.004 local terms energy: -24.379226 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: 1.416 tors. eta vs tors. theta energy: -4.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -80.192602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.192602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.192602 (E_RNA) where: Base-Base interactions energy: -53.026 where: short stacking energy: -21.351 Base-Backbone interact. energy: -0.038 local terms energy: -27.129119 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -1.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -84.646752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.646752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.646752 (E_RNA) where: Base-Base interactions energy: -62.066 where: short stacking energy: -22.120 Base-Backbone interact. energy: -0.011 local terms energy: -22.569550 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: 2.186 tors. eta vs tors. theta energy: -3.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -56.004652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.004652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.004652 (E_RNA) where: Base-Base interactions energy: -28.034 where: short stacking energy: -19.415 Base-Backbone interact. energy: -0.241 local terms energy: -27.728806 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -4.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -43.042263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.042263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.042263 (E_RNA) where: Base-Base interactions energy: -21.487 where: short stacking energy: -21.487 Base-Backbone interact. energy: -0.023 local terms energy: -21.532032 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: -3.509 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: 6, replica: 8 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -74.997761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.997761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.997761 (E_RNA) where: Base-Base interactions energy: -54.004 where: short stacking energy: -20.706 Base-Backbone interact. energy: -0.000 local terms energy: -20.993770 where: bonds (distance) C4'-P energy: -4.602 bonds (distance) P-C4' energy: -5.961 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: 0.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -41.619558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.619558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.619558 (E_RNA) where: Base-Base interactions energy: -17.886 where: short stacking energy: -17.886 Base-Backbone interact. energy: -0.025 local terms energy: -23.708770 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.506 flat angles P-C4'-P energy: -2.538 tors. eta vs tors. theta energy: -2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -49.492376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.492376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.492376 (E_RNA) where: Base-Base interactions energy: -25.567 where: short stacking energy: -18.248 Base-Backbone interact. energy: 0.640 local terms energy: -24.565425 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -5.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -40.989859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.989859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.989859 (E_RNA) where: Base-Base interactions energy: -14.845 where: short stacking energy: -14.845 Base-Backbone interact. energy: -0.067 local terms energy: -26.078403 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -4.879 tors. eta vs tors. theta energy: -2.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -50.198435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.198435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.198435 (E_RNA) where: Base-Base interactions energy: -23.096 where: short stacking energy: -23.096 Base-Backbone interact. energy: -0.004 local terms energy: -27.098404 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -1.376 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: -8.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -96.489385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.489385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.489385 (E_RNA) where: Base-Base interactions energy: -74.490 where: short stacking energy: -27.709 Base-Backbone interact. energy: -0.002 local terms energy: -21.997704 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -7.237 flat angles P-C4'-P energy: 1.603 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -86.617144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.617144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.617144 (E_RNA) where: Base-Base interactions energy: -65.517 where: short stacking energy: -23.407 Base-Backbone interact. energy: -0.015 local terms energy: -21.084833 where: bonds (distance) C4'-P energy: -4.995 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: 1.866 tors. eta vs tors. theta energy: -3.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -82.775553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.775553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.775553 (E_RNA) where: Base-Base interactions energy: -60.367 where: short stacking energy: -23.725 Base-Backbone interact. energy: -0.000 local terms energy: -22.408014 where: bonds (distance) C4'-P energy: -3.356 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: 0.616 tors. eta vs tors. theta energy: -5.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -55.807526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.807526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.807526 (E_RNA) where: Base-Base interactions energy: -28.532 where: short stacking energy: -25.375 Base-Backbone interact. energy: -0.003 local terms energy: -27.273523 where: bonds (distance) C4'-P energy: -5.036 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -5.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -48.044941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.044941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.044941 (E_RNA) where: Base-Base interactions energy: -21.704 where: short stacking energy: -21.704 Base-Backbone interact. energy: 0.896 local terms energy: -27.237349 where: bonds (distance) C4'-P energy: -2.055 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -5.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -77.573252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.573252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.573252 (E_RNA) where: Base-Base interactions energy: -58.792 where: short stacking energy: -23.504 Base-Backbone interact. energy: -0.074 local terms energy: -18.707777 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.561 flat angles P-C4'-P energy: -0.050 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -44.499014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.499014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.499014 (E_RNA) where: Base-Base interactions energy: -21.740 where: short stacking energy: -21.740 Base-Backbone interact. energy: -0.005 local terms energy: -22.754337 where: bonds (distance) C4'-P energy: -2.548 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -2.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -39.914320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.914320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.914320 (E_RNA) where: Base-Base interactions energy: -15.177 where: short stacking energy: -15.177 Base-Backbone interact. energy: -0.030 local terms energy: -24.707794 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.803 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -2.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -42.938753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.938753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.938753 (E_RNA) where: Base-Base interactions energy: -18.831 where: short stacking energy: -18.831 Base-Backbone interact. energy: -0.011 local terms energy: -24.096763 where: bonds (distance) C4'-P energy: -5.148 bonds (distance) P-C4' energy: -6.005 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -3.882 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: 5 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -42.479772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.479772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.479772 (E_RNA) where: Base-Base interactions energy: -16.872 where: short stacking energy: -16.717 Base-Backbone interact. energy: -0.000 local terms energy: -25.607536 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -4.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -90.774628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.774628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.774628 (E_RNA) where: Base-Base interactions energy: -69.708 where: short stacking energy: -27.422 Base-Backbone interact. energy: -0.009 local terms energy: -21.057195 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: 2.765 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -94.167901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.167901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.167901 (E_RNA) where: Base-Base interactions energy: -70.755 where: short stacking energy: -26.374 Base-Backbone interact. energy: -0.128 local terms energy: -23.285595 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: 0.603 tors. eta vs tors. theta energy: -4.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -82.993737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.993737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.993737 (E_RNA) where: Base-Base interactions energy: -59.776 where: short stacking energy: -23.222 Base-Backbone interact. energy: -0.014 local terms energy: -23.203134 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -1.735 flat angles P-C4'-P energy: -2.351 tors. eta vs tors. theta energy: -4.825 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: 9 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -58.591100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.591100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.591100 (E_RNA) where: Base-Base interactions energy: -31.971 where: short stacking energy: -19.761 Base-Backbone interact. energy: -0.044 local terms energy: -26.576578 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -2.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -82.175563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.175563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.175563 (E_RNA) where: Base-Base interactions energy: -60.975 where: short stacking energy: -23.091 Base-Backbone interact. energy: -0.018 local terms energy: -21.182654 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.723 flat angles P-C4'-P energy: -2.626 tors. eta vs tors. theta energy: -4.418 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: 456 Temperature: 1.150000 Total energy: -45.947850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.947850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.947850 (E_RNA) where: Base-Base interactions energy: -18.231 where: short stacking energy: -18.231 Base-Backbone interact. energy: -0.000 local terms energy: -27.716625 where: bonds (distance) C4'-P energy: -5.102 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -44.400551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.400551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.400551 (E_RNA) where: Base-Base interactions energy: -20.322 where: short stacking energy: -20.322 Base-Backbone interact. energy: -0.099 local terms energy: -23.979429 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.677 flat angles P-C4'-P energy: -4.222 tors. eta vs tors. theta energy: -2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -42.843494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.843494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.843494 (E_RNA) where: Base-Base interactions energy: -21.315 where: short stacking energy: -21.315 Base-Backbone interact. energy: -0.006 local terms energy: -21.522878 where: bonds (distance) C4'-P energy: -2.093 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -3.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -40.810343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.810343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.810343 (E_RNA) where: Base-Base interactions energy: -17.696 where: short stacking energy: -15.357 Base-Backbone interact. energy: -0.121 local terms energy: -22.993490 where: bonds (distance) C4'-P energy: -3.968 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -2.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -35.928088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.928088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.928088 (E_RNA) where: Base-Base interactions energy: -13.569 where: short stacking energy: -13.569 Base-Backbone interact. energy: -0.010 local terms energy: -22.349474 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -2.026 tors. eta vs tors. theta energy: -2.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -92.406756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.406756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.406756 (E_RNA) where: Base-Base interactions energy: -69.333 where: short stacking energy: -26.757 Base-Backbone interact. energy: -0.210 local terms energy: -22.863955 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: 0.820 tors. eta vs tors. theta energy: -3.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -96.165761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.165761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.165761 (E_RNA) where: Base-Base interactions energy: -72.468 where: short stacking energy: -28.686 Base-Backbone interact. energy: -0.001 local terms energy: -23.697398 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: 3.009 tors. eta vs tors. theta energy: -5.673 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: 4 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -91.652094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.652094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.652094 (E_RNA) where: Base-Base interactions energy: -71.195 where: short stacking energy: -27.628 Base-Backbone interact. energy: -0.011 local terms energy: -20.445834 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: 2.537 tors. eta vs tors. theta energy: -2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -76.457924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.457924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.457924 (E_RNA) where: Base-Base interactions energy: -50.377 where: short stacking energy: -19.880 Base-Backbone interact. energy: -0.013 local terms energy: -26.068096 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -1.987 tors. eta vs tors. theta energy: -4.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -58.339322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.339322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.339322 (E_RNA) where: Base-Base interactions energy: -28.704 where: short stacking energy: -26.421 Base-Backbone interact. energy: -0.000 local terms energy: -29.634874 where: bonds (distance) C4'-P energy: -4.312 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -7.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -49.182198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.182198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.182198 (E_RNA) where: Base-Base interactions energy: -21.359 where: short stacking energy: -21.359 Base-Backbone interact. energy: -0.000 local terms energy: -27.822807 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -5.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -59.301597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.301597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.301597 (E_RNA) where: Base-Base interactions energy: -29.821 where: short stacking energy: -29.821 Base-Backbone interact. energy: -0.000 local terms energy: -29.480737 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -3.373 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -8.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -46.018822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.018822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.018822 (E_RNA) where: Base-Base interactions energy: -22.837 where: short stacking energy: -22.837 Base-Backbone interact. energy: -0.005 local terms energy: -23.177032 where: bonds (distance) C4'-P energy: -5.302 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -3.090 tors. eta vs tors. theta energy: -2.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -40.520719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.520719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.520719 (E_RNA) where: Base-Base interactions energy: -17.407 where: short stacking energy: -17.407 Base-Backbone interact. energy: -0.000 local terms energy: -23.113564 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -3.724 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -1.896 tors. eta vs tors. theta energy: -3.214 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: 10, replica: 6 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -43.692350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.692350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.692350 (E_RNA) where: Base-Base interactions energy: -17.899 where: short stacking energy: -17.899 Base-Backbone interact. energy: -0.000 local terms energy: -25.793513 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -5.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -95.267653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.267653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.267653 (E_RNA) where: Base-Base interactions energy: -70.186 where: short stacking energy: -25.914 Base-Backbone interact. energy: -0.005 local terms energy: -25.076417 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.653 flat angles P-C4'-P energy: -0.869 tors. eta vs tors. theta energy: -3.121 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: 2, replica: 1 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -90.759782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.759782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.759782 (E_RNA) where: Base-Base interactions energy: -68.864 where: short stacking energy: -27.011 Base-Backbone interact. energy: -0.002 local terms energy: -21.893002 where: bonds (distance) C4'-P energy: -5.512 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -0.012 tors. eta vs tors. theta energy: -3.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -87.818619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.818619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.818619 (E_RNA) where: Base-Base interactions energy: -64.768 where: short stacking energy: -24.075 Base-Backbone interact. energy: -0.073 local terms energy: -22.977993 where: bonds (distance) C4'-P energy: -5.889 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -0.685 tors. eta vs tors. theta energy: -4.797 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: 4, replica: 8 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -73.986074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.986074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.986074 (E_RNA) where: Base-Base interactions energy: -46.740 where: short stacking energy: -22.212 Base-Backbone interact. energy: -0.058 local terms energy: -27.187789 where: bonds (distance) C4'-P energy: -5.483 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -3.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -55.642361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.642361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.642361 (E_RNA) where: Base-Base interactions energy: -30.783 where: short stacking energy: -18.333 Base-Backbone interact. energy: -0.001 local terms energy: -24.858787 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -1.639 tors. eta vs tors. theta energy: -4.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -47.203235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.203235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.203235 (E_RNA) where: Base-Base interactions energy: -19.496 where: short stacking energy: -19.496 Base-Backbone interact. energy: -0.000 local terms energy: -27.706803 where: bonds (distance) C4'-P energy: -6.079 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -5.125 tors. eta vs tors. theta energy: -4.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -42.729078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.729078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.729078 (E_RNA) where: Base-Base interactions energy: -18.039 where: short stacking energy: -18.039 Base-Backbone interact. energy: -0.000 local terms energy: -24.690295 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -1.755 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -65.244455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.244455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.244455 (E_RNA) where: Base-Base interactions energy: -40.825 where: short stacking energy: -17.671 Base-Backbone interact. energy: -0.009 local terms energy: -24.409592 where: bonds (distance) C4'-P energy: -5.496 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -1.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -50.073408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.073408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.073408 (E_RNA) where: Base-Base interactions energy: -28.330 where: short stacking energy: -17.473 Base-Backbone interact. energy: -0.002 local terms energy: -21.741057 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.053 flat angles C4'-P-C4' energy: -6.993 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: 0.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -39.902911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.902911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.902911 (E_RNA) where: Base-Base interactions energy: -15.751 where: short stacking energy: -15.198 Base-Backbone interact. energy: -0.014 local terms energy: -24.137979 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: 0.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -94.310464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.310464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.310464 (E_RNA) where: Base-Base interactions energy: -70.366 where: short stacking energy: -26.182 Base-Backbone interact. energy: -0.004 local terms energy: -23.940537 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: 0.851 tors. eta vs tors. theta energy: -4.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -83.925726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.925726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.925726 (E_RNA) where: Base-Base interactions energy: -57.070 where: short stacking energy: -23.539 Base-Backbone interact. energy: -0.000 local terms energy: -26.855317 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -2.609 flat angles C4'-P-C4' energy: -7.410 flat angles P-C4'-P energy: -5.385 tors. eta vs tors. theta energy: -6.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -81.894820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.894820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.894820 (E_RNA) where: Base-Base interactions energy: -55.426 where: short stacking energy: -23.749 Base-Backbone interact. energy: -0.002 local terms energy: -26.467255 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.544 flat angles P-C4'-P energy: -5.120 tors. eta vs tors. theta energy: -2.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -58.403608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.403608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.403608 (E_RNA) where: Base-Base interactions energy: -34.270 where: short stacking energy: -22.166 Base-Backbone interact. energy: -0.001 local terms energy: -24.132958 where: bonds (distance) C4'-P energy: -4.085 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -4.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -50.792804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.792804 (E_RNA) where: Base-Base interactions energy: -28.387 where: short stacking energy: -20.716 Base-Backbone interact. energy: -0.001 local terms energy: -22.405351 where: bonds (distance) C4'-P energy: -4.784 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: -1.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -51.308329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.308329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.308329 (E_RNA) where: Base-Base interactions energy: -24.252 where: short stacking energy: -24.252 Base-Backbone interact. energy: -0.002 local terms energy: -27.054137 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.930 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -5.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -70.712141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.712141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.712141 (E_RNA) where: Base-Base interactions energy: -42.770 where: short stacking energy: -13.669 Base-Backbone interact. energy: -0.099 local terms energy: -27.843896 where: bonds (distance) C4'-P energy: -5.889 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -69.490536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.490536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.490536 (E_RNA) where: Base-Base interactions energy: -42.784 where: short stacking energy: -18.223 Base-Backbone interact. energy: -0.001 local terms energy: -26.706215 where: bonds (distance) C4'-P energy: -5.869 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -43.741290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.741290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.741290 (E_RNA) where: Base-Base interactions energy: -21.382 where: short stacking energy: -21.331 Base-Backbone interact. energy: -0.000 local terms energy: -22.359155 where: bonds (distance) C4'-P energy: -4.395 bonds (distance) P-C4' energy: -5.487 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -2.645 tors. eta vs tors. theta energy: -3.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -46.669389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.669389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.669389 (E_RNA) where: Base-Base interactions energy: -22.786 where: short stacking energy: -22.786 Base-Backbone interact. energy: -0.021 local terms energy: -23.862475 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.143 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -1.856 tors. eta vs tors. theta energy: -4.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -82.312102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.312102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.312102 (E_RNA) where: Base-Base interactions energy: -51.053 where: short stacking energy: -22.751 Base-Backbone interact. energy: -0.001 local terms energy: -31.258675 where: bonds (distance) C4'-P energy: -5.720 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: -5.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -90.962060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.962060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.962060 (E_RNA) where: Base-Base interactions energy: -67.178 where: short stacking energy: -24.474 Base-Backbone interact. energy: -0.004 local terms energy: -23.779512 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: 2.437 tors. eta vs tors. theta energy: -5.721 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: 1 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -82.128454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.128454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.128454 (E_RNA) where: Base-Base interactions energy: -56.231 where: short stacking energy: -24.165 Base-Backbone interact. energy: -0.011 local terms energy: -25.887117 where: bonds (distance) C4'-P energy: -4.296 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.729 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: -5.754 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: 3 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -61.241794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.241794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.241794 (E_RNA) where: Base-Base interactions energy: -29.048 where: short stacking energy: -29.048 Base-Backbone interact. energy: -0.000 local terms energy: -32.193960 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.852 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -7.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -53.681007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.681007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.681007 (E_RNA) where: Base-Base interactions energy: -29.140 where: short stacking energy: -25.206 Base-Backbone interact. energy: -0.000 local terms energy: -24.540869 where: bonds (distance) C4'-P energy: -5.164 bonds (distance) P-C4' energy: -3.340 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -5.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -46.932605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.932605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.932605 (E_RNA) where: Base-Base interactions energy: -21.121 where: short stacking energy: -19.922 Base-Backbone interact. energy: -0.032 local terms energy: -25.779193 where: bonds (distance) C4'-P energy: -5.512 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.501 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -4.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -79.332414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.332414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.332414 (E_RNA) where: Base-Base interactions energy: -52.015 where: short stacking energy: -22.019 Base-Backbone interact. energy: -0.000 local terms energy: -27.317080 where: bonds (distance) C4'-P energy: -5.048 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.036 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -4.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -43.029193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.029193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.029193 (E_RNA) where: Base-Base interactions energy: -18.592 where: short stacking energy: -18.592 Base-Backbone interact. energy: -0.040 local terms energy: -24.396867 where: bonds (distance) C4'-P energy: -5.901 bonds (distance) P-C4' energy: -5.289 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -2.529 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: 9, replica: 2 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -42.218532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.218532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.218532 (E_RNA) where: Base-Base interactions energy: -18.628 where: short stacking energy: -18.628 Base-Backbone interact. energy: -0.070 local terms energy: -23.520498 where: bonds (distance) C4'-P energy: -2.043 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -3.711 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: 6 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -44.670671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.670671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.670671 (E_RNA) where: Base-Base interactions energy: -22.674 where: short stacking energy: -8.819 Base-Backbone interact. energy: 0.156 local terms energy: -22.153036 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: 0.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -83.366458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.366458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.366458 (E_RNA) where: Base-Base interactions energy: -55.241 where: short stacking energy: -25.432 Base-Backbone interact. energy: -0.351 local terms energy: -27.774522 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -4.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -82.731197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.731197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.731197 (E_RNA) where: Base-Base interactions energy: -59.419 where: short stacking energy: -20.187 Base-Backbone interact. energy: -0.006 local terms energy: -23.305911 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -2.092 flat angles P-C4'-P energy: -1.006 tors. eta vs tors. theta energy: -6.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -97.669747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.669747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.669747 (E_RNA) where: Base-Base interactions energy: -74.159 where: short stacking energy: -28.897 Base-Backbone interact. energy: -0.020 local terms energy: -23.490594 where: bonds (distance) C4'-P energy: -6.010 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -0.287 tors. eta vs tors. theta energy: -4.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -53.996141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.996141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.996141 (E_RNA) where: Base-Base interactions energy: -28.736 where: short stacking energy: -28.736 Base-Backbone interact. energy: -0.033 local terms energy: -25.228081 where: bonds (distance) C4'-P energy: -3.641 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -2.046 tors. eta vs tors. theta energy: -6.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -46.008132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.008132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.008132 (E_RNA) where: Base-Base interactions energy: -21.743 where: short stacking energy: -21.743 Base-Backbone interact. energy: -0.004 local terms energy: -24.261643 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -4.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -77.348323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.348323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.348323 (E_RNA) where: Base-Base interactions energy: -50.412 where: short stacking energy: -22.790 Base-Backbone interact. energy: -0.007 local terms energy: -26.929338 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.881 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: -3.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -50.352946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.352946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.352946 (E_RNA) where: Base-Base interactions energy: -23.186 where: short stacking energy: -23.186 Base-Backbone interact. energy: -0.000 local terms energy: -27.166527 where: bonds (distance) C4'-P energy: -3.083 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -3.827 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: 8, replica: 2 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -38.793295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.793295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.793295 (E_RNA) where: Base-Base interactions energy: -12.187 where: short stacking energy: -12.187 Base-Backbone interact. energy: -0.000 local terms energy: -26.606345 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.905 flat angles P-C4'-P energy: -3.960 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: 9, replica: 7 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -45.759579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.759579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.759579 (E_RNA) where: Base-Base interactions energy: -20.683 where: short stacking energy: -14.740 Base-Backbone interact. energy: -0.194 local terms energy: -24.883202 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.324 flat angles C4'-P-C4' energy: -4.107 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -46.266919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.266919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.266919 (E_RNA) where: Base-Base interactions energy: -17.028 where: short stacking energy: -17.028 Base-Backbone interact. energy: -0.000 local terms energy: -29.238739 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: -5.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -84.545799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.545799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.545799 (E_RNA) where: Base-Base interactions energy: -53.196 where: short stacking energy: -22.687 Base-Backbone interact. energy: -0.374 local terms energy: -30.976483 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -6.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -84.843239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.843239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.843239 (E_RNA) where: Base-Base interactions energy: -60.789 where: short stacking energy: -21.803 Base-Backbone interact. energy: -0.402 local terms energy: -23.652715 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -3.146 flat angles P-C4'-P energy: -2.278 tors. eta vs tors. theta energy: -5.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -96.035751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.035751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.035751 (E_RNA) where: Base-Base interactions energy: -70.366 where: short stacking energy: -25.875 Base-Backbone interact. energy: -0.008 local terms energy: -25.662267 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -0.924 tors. eta vs tors. theta energy: -5.231 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: 4, replica: 5 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -52.509971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.509971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.509971 (E_RNA) where: Base-Base interactions energy: -24.974 where: short stacking energy: -24.974 Base-Backbone interact. energy: -0.000 local terms energy: -27.535726 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -0.644 tors. eta vs tors. theta energy: -6.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -75.017509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.017509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.017509 (E_RNA) where: Base-Base interactions energy: -54.407 where: short stacking energy: -23.606 Base-Backbone interact. energy: 0.116 local terms energy: -20.726673 where: bonds (distance) C4'-P energy: -2.106 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -4.195 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: 6, replica: 3 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -51.771272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.771272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.771272 (E_RNA) where: Base-Base interactions energy: -28.271 where: short stacking energy: -28.271 Base-Backbone interact. energy: -0.001 local terms energy: -23.499007 where: bonds (distance) C4'-P energy: -4.002 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -4.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -46.904487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.904487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.904487 (E_RNA) where: Base-Base interactions energy: -20.001 where: short stacking energy: -20.001 Base-Backbone interact. energy: -0.000 local terms energy: -26.903293 where: bonds (distance) C4'-P energy: -5.243 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -4.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -51.548186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.548186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.548186 (E_RNA) where: Base-Base interactions energy: -27.168 where: short stacking energy: -13.494 Base-Backbone interact. energy: -0.009 local terms energy: -24.371704 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -43.831457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.831457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.831457 (E_RNA) where: Base-Base interactions energy: -19.368 where: short stacking energy: -19.368 Base-Backbone interact. energy: -0.050 local terms energy: -24.413790 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -2.393 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -40.460644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.460644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.460644 (E_RNA) where: Base-Base interactions energy: -17.130 where: short stacking energy: -17.130 Base-Backbone interact. energy: -0.215 local terms energy: -23.116120 where: bonds (distance) C4'-P energy: -3.434 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -2.699 tors. eta vs tors. theta energy: -3.685 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: 1 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -89.826194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.826194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.826194 (E_RNA) where: Base-Base interactions energy: -67.661 where: short stacking energy: -25.966 Base-Backbone interact. energy: -0.001 local terms energy: -22.164343 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.048 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: 1.500 tors. eta vs tors. theta energy: -4.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -95.253145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.253145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.253145 (E_RNA) where: Base-Base interactions energy: -72.093 where: short stacking energy: -27.097 Base-Backbone interact. energy: -0.019 local terms energy: -23.142005 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: 0.090 tors. eta vs tors. theta energy: -3.043 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: 3, replica: 4 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -80.968490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.968490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.968490 (E_RNA) where: Base-Base interactions energy: -52.307 where: short stacking energy: -21.843 Base-Backbone interact. energy: -0.003 local terms energy: -28.658689 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -3.462 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -6.245 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: 4, replica: 9 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -78.056904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.056904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.056904 (E_RNA) where: Base-Base interactions energy: -53.634 where: short stacking energy: -23.690 Base-Backbone interact. energy: -0.171 local terms energy: -24.252232 where: bonds (distance) C4'-P energy: -4.155 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -49.911764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.911764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.911764 (E_RNA) where: Base-Base interactions energy: -22.323 where: short stacking energy: -22.323 Base-Backbone interact. energy: -0.013 local terms energy: -27.575474 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.193 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -5.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -46.113032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.113032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.113032 (E_RNA) where: Base-Base interactions energy: -18.448 where: short stacking energy: -18.448 Base-Backbone interact. energy: -0.001 local terms energy: -27.663936 where: bonds (distance) C4'-P energy: -5.649 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -5.647 tors. eta vs tors. theta energy: -3.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -50.904758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.904758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.904758 (E_RNA) where: Base-Base interactions energy: -26.979 where: short stacking energy: -26.979 Base-Backbone interact. energy: -0.000 local terms energy: -23.925650 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -5.335 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -6.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -46.070300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.070300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.070300 (E_RNA) where: Base-Base interactions energy: -18.102 where: short stacking energy: -18.102 Base-Backbone interact. energy: -0.006 local terms energy: -27.961788 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -2.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -39.855371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.855371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.855371 (E_RNA) where: Base-Base interactions energy: -21.575 where: short stacking energy: -16.134 Base-Backbone interact. energy: -1.312 local terms energy: -16.968577 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -3.783 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -2.034 tors. eta vs tors. theta energy: -1.718 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: 7 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -41.279345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.279345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.279345 (E_RNA) where: Base-Base interactions energy: -21.790 where: short stacking energy: -21.790 Base-Backbone interact. energy: -0.000 local terms energy: -19.489736 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -4.731 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: 0.155 tors. eta vs tors. theta energy: -3.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -91.022058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.022058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.022058 (E_RNA) where: Base-Base interactions energy: -66.967 where: short stacking energy: -24.177 Base-Backbone interact. energy: -0.003 local terms energy: -24.052445 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: 0.738 tors. eta vs tors. theta energy: -5.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -95.871192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.871192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.871192 (E_RNA) where: Base-Base interactions energy: -70.610 where: short stacking energy: -25.259 Base-Backbone interact. energy: -0.004 local terms energy: -25.258041 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: 0.151 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -80.970279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.970279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.970279 (E_RNA) where: Base-Base interactions energy: -54.699 where: short stacking energy: -23.553 Base-Backbone interact. energy: -0.013 local terms energy: -26.258622 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -2.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -45.860809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.860809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.860809 (E_RNA) where: Base-Base interactions energy: -27.277 where: short stacking energy: -17.575 Base-Backbone interact. energy: -0.023 local terms energy: -18.561004 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.453 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: 0.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -48.666476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.666476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.666476 (E_RNA) where: Base-Base interactions energy: -23.412 where: short stacking energy: -23.412 Base-Backbone interact. energy: -0.010 local terms energy: -25.244238 where: bonds (distance) C4'-P energy: -2.664 bonds (distance) P-C4' energy: -6.265 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -4.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -57.733917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.733917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.733917 (E_RNA) where: Base-Base interactions energy: -30.641 where: short stacking energy: -16.393 Base-Backbone interact. energy: -0.085 local terms energy: -27.008398 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -2.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -45.143901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.143901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.143901 (E_RNA) where: Base-Base interactions energy: -17.950 where: short stacking energy: -17.950 Base-Backbone interact. energy: -0.144 local terms energy: -27.049362 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -3.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -46.838452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.838452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.838452 (E_RNA) where: Base-Base interactions energy: -17.647 where: short stacking energy: -17.647 Base-Backbone interact. energy: -0.000 local terms energy: -29.191463 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -4.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -43.761939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.761939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.761939 (E_RNA) where: Base-Base interactions energy: -20.971 where: short stacking energy: -20.971 Base-Backbone interact. energy: -0.019 local terms energy: -22.771938 where: bonds (distance) C4'-P energy: -4.412 bonds (distance) P-C4' energy: -6.559 flat angles C4'-P-C4' energy: -5.154 flat angles P-C4'-P energy: -3.067 tors. eta vs tors. theta energy: -3.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -56.572552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.572552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.572552 (E_RNA) where: Base-Base interactions energy: -26.145 where: short stacking energy: -26.145 Base-Backbone interact. energy: -0.000 local terms energy: -30.426945 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.023 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -7.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -88.774872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.774872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.774872 (E_RNA) where: Base-Base interactions energy: -65.142 where: short stacking energy: -25.013 Base-Backbone interact. energy: -0.001 local terms energy: -23.631844 where: bonds (distance) C4'-P energy: -4.130 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -1.885 tors. eta vs tors. theta energy: -5.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -82.822826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.822826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.822826 (E_RNA) where: Base-Base interactions energy: -54.144 where: short stacking energy: -21.227 Base-Backbone interact. energy: -0.129 local terms energy: -28.549285 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -4.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -96.787311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.787311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.787311 (E_RNA) where: Base-Base interactions energy: -70.560 where: short stacking energy: -27.976 Base-Backbone interact. energy: -0.030 local terms energy: -26.197394 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.706 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -1.786 tors. eta vs tors. theta energy: -4.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -46.294935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.294935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.294935 (E_RNA) where: Base-Base interactions energy: -18.221 where: short stacking energy: -18.221 Base-Backbone interact. energy: -0.003 local terms energy: -28.070843 where: bonds (distance) C4'-P energy: -5.181 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: -4.781 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: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -48.642167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.642167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.642167 (E_RNA) where: Base-Base interactions energy: -21.741 where: short stacking energy: -14.999 Base-Backbone interact. energy: -0.000 local terms energy: -26.901029 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -4.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -45.847505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.847505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.847505 (E_RNA) where: Base-Base interactions energy: -20.312 where: short stacking energy: -20.312 Base-Backbone interact. energy: -0.034 local terms energy: -25.501502 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.266 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -2.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -44.948541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.948541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.948541 (E_RNA) where: Base-Base interactions energy: -21.723 where: short stacking energy: -18.738 Base-Backbone interact. energy: -0.361 local terms energy: -22.864630 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -2.706 flat angles P-C4'-P energy: -4.478 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: 7 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -39.978003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.978003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.978003 (E_RNA) where: Base-Base interactions energy: -15.260 where: short stacking energy: -11.119 Base-Backbone interact. energy: -0.106 local terms energy: -24.612320 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -1.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -40.789733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.789733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.789733 (E_RNA) where: Base-Base interactions energy: -16.327 where: short stacking energy: -16.327 Base-Backbone interact. energy: -0.097 local terms energy: -24.365490 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.037 flat angles P-C4'-P energy: -4.543 tors. eta vs tors. theta energy: -3.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -37.956223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.956223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.956223 (E_RNA) where: Base-Base interactions energy: -16.480 where: short stacking energy: -16.480 Base-Backbone interact. energy: -0.002 local terms energy: -21.474648 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -5.106 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -3.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -85.490487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.490487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.490487 (E_RNA) where: Base-Base interactions energy: -53.043 where: short stacking energy: -22.081 Base-Backbone interact. energy: -0.323 local terms energy: -32.124445 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -7.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -92.567936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.567936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.567936 (E_RNA) where: Base-Base interactions energy: -71.161 where: short stacking energy: -30.366 Base-Backbone interact. energy: -0.016 local terms energy: -21.390367 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: 2.221 tors. eta vs tors. theta energy: -5.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -96.782201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.782201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.782201 (E_RNA) where: Base-Base interactions energy: -72.259 where: short stacking energy: -25.705 Base-Backbone interact. energy: -0.003 local terms energy: -24.519997 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: 0.091 tors. eta vs tors. theta energy: -5.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -51.849331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.849331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.849331 (E_RNA) where: Base-Base interactions energy: -23.402 where: short stacking energy: -23.402 Base-Backbone interact. energy: -0.001 local terms energy: -28.445837 where: bonds (distance) C4'-P energy: -4.473 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.434 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -6.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -61.579944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.579944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.579944 (E_RNA) where: Base-Base interactions energy: -28.618 where: short stacking energy: -28.618 Base-Backbone interact. energy: -0.000 local terms energy: -32.961831 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.657 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -7.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -49.361967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.361967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.361967 (E_RNA) where: Base-Base interactions energy: -23.897 where: short stacking energy: -21.813 Base-Backbone interact. energy: -0.079 local terms energy: -25.385761 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -42.976636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.976636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.976636 (E_RNA) where: Base-Base interactions energy: -18.398 where: short stacking energy: -18.398 Base-Backbone interact. energy: -0.000 local terms energy: -24.578622 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -2.226 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: -6.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -41.183455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.183455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.183455 (E_RNA) where: Base-Base interactions energy: -18.891 where: short stacking energy: -15.471 Base-Backbone interact. energy: -0.119 local terms energy: -22.174286 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -1.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -41.952723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.952723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.952723 (E_RNA) where: Base-Base interactions energy: -19.033 where: short stacking energy: -19.033 Base-Backbone interact. energy: -0.081 local terms energy: -22.838826 where: bonds (distance) C4'-P energy: -6.075 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: -1.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -42.232750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.232750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.232750 (E_RNA) where: Base-Base interactions energy: -18.818 where: short stacking energy: -18.818 Base-Backbone interact. energy: -0.094 local terms energy: -23.320595 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -2.643 tors. eta vs tors. theta energy: -5.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -91.405807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.405807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.405807 (E_RNA) where: Base-Base interactions energy: -67.116 where: short stacking energy: -26.144 Base-Backbone interact. energy: -0.419 local terms energy: -23.871193 where: bonds (distance) C4'-P energy: -4.445 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -1.499 tors. eta vs tors. theta energy: -6.198 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: 10 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -96.053372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.053372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.053372 (E_RNA) where: Base-Base interactions energy: -70.291 where: short stacking energy: -27.634 Base-Backbone interact. energy: -0.085 local terms energy: -25.677011 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -0.819 tors. eta vs tors. theta energy: -6.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -87.106836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.106836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.106836 (E_RNA) where: Base-Base interactions energy: -62.867 where: short stacking energy: -24.141 Base-Backbone interact. energy: -0.033 local terms energy: -24.206119 where: bonds (distance) C4'-P energy: -4.635 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -1.332 tors. eta vs tors. theta energy: -6.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -45.293736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.293736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.293736 (E_RNA) where: Base-Base interactions energy: -19.736 where: short stacking energy: -19.736 Base-Backbone interact. energy: -0.381 local terms energy: -25.177102 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -5.998 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -49.378946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.378946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.378946 (E_RNA) where: Base-Base interactions energy: -24.545 where: short stacking energy: -22.057 Base-Backbone interact. energy: -0.028 local terms energy: -24.805820 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -5.133 tors. eta vs tors. theta energy: -3.304 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: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -68.916363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.916363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.916363 (E_RNA) where: Base-Base interactions energy: -42.412 where: short stacking energy: -22.021 Base-Backbone interact. energy: -0.000 local terms energy: -26.504211 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -3.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -76.120591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.120591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.120591 (E_RNA) where: Base-Base interactions energy: -49.410 where: short stacking energy: -20.240 Base-Backbone interact. energy: -0.000 local terms energy: -26.710851 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -3.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -47.227392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.227392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.227392 (E_RNA) where: Base-Base interactions energy: -22.110 where: short stacking energy: -22.110 Base-Backbone interact. energy: -0.000 local terms energy: -25.116968 where: bonds (distance) C4'-P energy: -4.104 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -5.340 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: 5 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -48.502957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.502957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.502957 (E_RNA) where: Base-Base interactions energy: -24.227 where: short stacking energy: -24.227 Base-Backbone interact. energy: -0.007 local terms energy: -24.269091 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.284 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -2.423 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: 6 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -43.542968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.542968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.542968 (E_RNA) where: Base-Base interactions energy: -23.310 where: short stacking energy: -18.918 Base-Backbone interact. energy: -0.104 local terms energy: -20.128884 where: bonds (distance) C4'-P energy: -4.729 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: 1.015 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: 10 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -99.438309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.438309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.438309 (E_RNA) where: Base-Base interactions energy: -72.110 where: short stacking energy: -27.486 Base-Backbone interact. energy: -0.029 local terms energy: -27.299584 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -6.903 flat angles P-C4'-P energy: -0.149 tors. eta vs tors. theta energy: -6.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -83.480219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.480219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.480219 (E_RNA) where: Base-Base interactions energy: -55.799 where: short stacking energy: -24.772 Base-Backbone interact. energy: -0.002 local terms energy: -27.680030 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.284 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -3.756 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: 3, replica: 1 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -90.743183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.743183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.743183 (E_RNA) where: Base-Base interactions energy: -63.008 where: short stacking energy: -24.238 Base-Backbone interact. energy: -0.000 local terms energy: -27.734884 where: bonds (distance) C4'-P energy: -6.159 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -6.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -54.411503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.411503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.411503 (E_RNA) where: Base-Base interactions energy: -24.135 where: short stacking energy: -24.135 Base-Backbone interact. energy: -0.003 local terms energy: -30.273043 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: -6.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -55.403440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.403440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.403440 (E_RNA) where: Base-Base interactions energy: -25.098 where: short stacking energy: -25.098 Base-Backbone interact. energy: -0.029 local terms energy: -30.276538 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -4.915 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: 6, replica: 4 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -46.977950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.977950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.977950 (E_RNA) where: Base-Base interactions energy: -23.568 where: short stacking energy: -22.828 Base-Backbone interact. energy: -0.000 local terms energy: -23.409911 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.371 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -5.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -51.233795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.233795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.233795 (E_RNA) where: Base-Base interactions energy: -21.708 where: short stacking energy: -21.708 Base-Backbone interact. energy: -0.000 local terms energy: -29.525896 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -5.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -63.459349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.459349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.459349 (E_RNA) where: Base-Base interactions energy: -39.956 where: short stacking energy: -17.156 Base-Backbone interact. energy: -0.002 local terms energy: -23.501189 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -1.780 tors. eta vs tors. theta energy: -4.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -38.577235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.577235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.577235 (E_RNA) where: Base-Base interactions energy: -16.374 where: short stacking energy: -16.374 Base-Backbone interact. energy: -0.084 local terms energy: -22.118990 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -5.197 flat angles C4'-P-C4' energy: -2.348 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -3.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -43.714732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.714732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.714732 (E_RNA) where: Base-Base interactions energy: -20.939 where: short stacking energy: -17.663 Base-Backbone interact. energy: -0.000 local terms energy: -22.776103 where: bonds (distance) C4'-P energy: -3.571 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -2.636 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -4.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -97.389009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.389009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.389009 (E_RNA) where: Base-Base interactions energy: -70.123 where: short stacking energy: -25.461 Base-Backbone interact. energy: -0.158 local terms energy: -27.107931 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -0.116 tors. eta vs tors. theta energy: -7.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -87.572673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.572673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.572673 (E_RNA) where: Base-Base interactions energy: -61.319 where: short stacking energy: -22.681 Base-Backbone interact. energy: -0.000 local terms energy: -26.253583 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -1.146 tors. eta vs tors. theta energy: -5.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -77.797450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.797450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.797450 (E_RNA) where: Base-Base interactions energy: -54.058 where: short stacking energy: -22.037 Base-Backbone interact. energy: -0.164 local terms energy: -23.575138 where: bonds (distance) C4'-P energy: -4.573 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: 0.493 tors. eta vs tors. theta energy: -6.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -58.365796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.365796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.365796 (E_RNA) where: Base-Base interactions energy: -27.339 where: short stacking energy: -27.339 Base-Backbone interact. energy: -0.000 local terms energy: -31.027055 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -5.384 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: 5, replica: 7 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -47.214929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.214929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.214929 (E_RNA) where: Base-Base interactions energy: -22.922 where: short stacking energy: -22.922 Base-Backbone interact. energy: -0.001 local terms energy: -24.292358 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -2.480 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -52.854578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.854578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.854578 (E_RNA) where: Base-Base interactions energy: -26.868 where: short stacking energy: -26.868 Base-Backbone interact. energy: -0.000 local terms energy: -25.986970 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -0.783 tors. eta vs tors. theta energy: -5.928 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: 7, replica: 4 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -46.478372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.478372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.478372 (E_RNA) where: Base-Base interactions energy: -20.878 where: short stacking energy: -20.878 Base-Backbone interact. energy: -0.098 local terms energy: -25.503037 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -2.281 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -41.163131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.163131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.163131 (E_RNA) where: Base-Base interactions energy: -16.127 where: short stacking energy: -16.127 Base-Backbone interact. energy: -0.106 local terms energy: -24.929751 where: bonds (distance) C4'-P energy: -5.181 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -3.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -42.120804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.120804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.120804 (E_RNA) where: Base-Base interactions energy: -17.954 where: short stacking energy: -17.954 Base-Backbone interact. energy: -0.000 local terms energy: -24.166254 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -1.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -44.601139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.601139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.601139 (E_RNA) where: Base-Base interactions energy: -23.536 where: short stacking energy: -23.536 Base-Backbone interact. energy: -0.001 local terms energy: -21.063671 where: bonds (distance) C4'-P energy: -3.210 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -3.526 flat angles P-C4'-P energy: -2.279 tors. eta vs tors. theta energy: -5.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -91.390391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.390391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.390391 (E_RNA) where: Base-Base interactions energy: -67.947 where: short stacking energy: -26.297 Base-Backbone interact. energy: -0.002 local terms energy: -23.441635 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -3.956 flat angles P-C4'-P energy: -0.627 tors. eta vs tors. theta energy: -5.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -94.703515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.703515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.703515 (E_RNA) where: Base-Base interactions energy: -70.795 where: short stacking energy: -26.088 Base-Backbone interact. energy: -0.104 local terms energy: -23.804104 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -3.548 flat angles P-C4'-P energy: -1.126 tors. eta vs tors. theta energy: -6.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -64.542080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.542080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.542080 (E_RNA) where: Base-Base interactions energy: -33.294 where: short stacking energy: -33.294 Base-Backbone interact. energy: -0.000 local terms energy: -31.248082 where: bonds (distance) C4'-P energy: -4.544 bonds (distance) P-C4' energy: -5.978 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -9.188 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: 9 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -79.963752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.963752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.963752 (E_RNA) where: Base-Base interactions energy: -50.546 where: short stacking energy: -23.455 Base-Backbone interact. energy: -0.000 local terms energy: -29.417424 where: bonds (distance) C4'-P energy: -4.590 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -6.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -72.596327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.596327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.596327 (E_RNA) where: Base-Base interactions energy: -44.806 where: short stacking energy: -21.624 Base-Backbone interact. energy: -0.000 local terms energy: -27.790551 where: bonds (distance) C4'-P energy: -4.085 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -4.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -56.553082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.553082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.553082 (E_RNA) where: Base-Base interactions energy: -26.177 where: short stacking energy: -26.177 Base-Backbone interact. energy: -1.099 local terms energy: -29.277776 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -2.959 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: 7, replica: 6 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -42.810760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.810760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.810760 (E_RNA) where: Base-Base interactions energy: -20.703 where: short stacking energy: -20.703 Base-Backbone interact. energy: -0.000 local terms energy: -22.108035 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -5.385 flat angles C4'-P-C4' energy: -3.822 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -2.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -46.393835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.393835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.393835 (E_RNA) where: Base-Base interactions energy: -18.601 where: short stacking energy: -18.601 Base-Backbone interact. energy: -0.021 local terms energy: -27.772297 where: bonds (distance) C4'-P energy: -4.776 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.055 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -6.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -43.062583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.062583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.062583 (E_RNA) where: Base-Base interactions energy: -17.155 where: short stacking energy: -17.155 Base-Backbone interact. energy: -0.007 local terms energy: -25.900583 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -5.698 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -33.428030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.428030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.428030 (E_RNA) where: Base-Base interactions energy: -14.590 where: short stacking energy: -14.590 Base-Backbone interact. energy: -0.000 local terms energy: -18.837961 where: bonds (distance) C4'-P energy: -4.179 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -3.118 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -1.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -90.687005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.687005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.687005 (E_RNA) where: Base-Base interactions energy: -66.077 where: short stacking energy: -24.876 Base-Backbone interact. energy: -0.000 local terms energy: -24.609871 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: 0.484 tors. eta vs tors. theta energy: -5.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -95.514772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.514772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.514772 (E_RNA) where: Base-Base interactions energy: -72.704 where: short stacking energy: -28.282 Base-Backbone interact. energy: -0.053 local terms energy: -22.757471 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: 1.112 tors. eta vs tors. theta energy: -5.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -50.165187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.165187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.165187 (E_RNA) where: Base-Base interactions energy: -23.671 where: short stacking energy: -23.671 Base-Backbone interact. energy: -0.000 local terms energy: -26.493790 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.652 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -4.322 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: 7 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -66.027000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.027000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.027000 (E_RNA) where: Base-Base interactions energy: -43.783 where: short stacking energy: -16.216 Base-Backbone interact. energy: -0.005 local terms energy: -22.239032 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -2.584 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: -2.761 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: 9 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -85.852398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.852398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.852398 (E_RNA) where: Base-Base interactions energy: -63.047 where: short stacking energy: -22.037 Base-Backbone interact. energy: -0.000 local terms energy: -22.805215 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: 0.022 tors. eta vs tors. theta energy: -4.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -46.094832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.094832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.094832 (E_RNA) where: Base-Base interactions energy: -19.798 where: short stacking energy: -19.798 Base-Backbone interact. energy: -0.001 local terms energy: -26.295932 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -2.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -47.026958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.026958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.026958 (E_RNA) where: Base-Base interactions energy: -22.120 where: short stacking energy: -22.120 Base-Backbone interact. energy: -0.002 local terms energy: -24.905005 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -8.042 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -0.602 tors. eta vs tors. theta energy: -5.072 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: 471 Temperature: 1.250000 Total energy: -46.076364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.076364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.076364 (E_RNA) where: Base-Base interactions energy: -21.378 where: short stacking energy: -21.378 Base-Backbone interact. energy: -0.098 local terms energy: -24.599885 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -2.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -35.886549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.886549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.886549 (E_RNA) where: Base-Base interactions energy: -14.771 where: short stacking energy: -14.771 Base-Backbone interact. energy: -0.086 local terms energy: -21.030419 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: 0.520 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: 8 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -46.096307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.096307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.096307 (E_RNA) where: Base-Base interactions energy: -25.465 where: short stacking energy: -25.465 Base-Backbone interact. energy: -0.061 local terms energy: -20.570589 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -2.167 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -98.229173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.229173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.229173 (E_RNA) where: Base-Base interactions energy: -72.424 where: short stacking energy: -27.040 Base-Backbone interact. energy: -0.266 local terms energy: -25.539127 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -0.466 tors. eta vs tors. theta energy: -4.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -92.728693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.728693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.728693 (E_RNA) where: Base-Base interactions energy: -67.122 where: short stacking energy: -26.103 Base-Backbone interact. energy: -0.002 local terms energy: -25.605094 where: bonds (distance) C4'-P energy: -5.641 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -2.462 tors. eta vs tors. theta energy: -6.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -54.901103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.901103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.901103 (E_RNA) where: Base-Base interactions energy: -29.099 where: short stacking energy: -29.099 Base-Backbone interact. energy: -0.000 local terms energy: -25.802246 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -4.446 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -6.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -58.008492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.008492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.008492 (E_RNA) where: Base-Base interactions energy: -26.419 where: short stacking energy: -26.419 Base-Backbone interact. energy: -0.037 local terms energy: -31.552741 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -7.273 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: 9 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -80.608048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.608048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.608048 (E_RNA) where: Base-Base interactions energy: -53.262 where: short stacking energy: -22.708 Base-Backbone interact. energy: 0.518 local terms energy: -27.863840 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -5.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -44.401679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.401679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.401679 (E_RNA) where: Base-Base interactions energy: -21.536 where: short stacking energy: -21.536 Base-Backbone interact. energy: -0.035 local terms energy: -22.830960 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -3.563 tors. eta vs tors. theta energy: -3.290 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: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -43.905858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.905858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.905858 (E_RNA) where: Base-Base interactions energy: -19.919 where: short stacking energy: -19.919 Base-Backbone interact. energy: -0.006 local terms energy: -23.980806 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -1.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -38.691864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.691864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.691864 (E_RNA) where: Base-Base interactions energy: -13.987 where: short stacking energy: -13.987 Base-Backbone interact. energy: -0.051 local terms energy: -24.653834 where: bonds (distance) C4'-P energy: -4.399 bonds (distance) P-C4' energy: -6.737 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -2.316 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: 8 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -44.378317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.378317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.378317 (E_RNA) where: Base-Base interactions energy: -20.435 where: short stacking energy: -20.435 Base-Backbone interact. energy: -0.000 local terms energy: -23.943177 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.735 flat angles C4'-P-C4' energy: -2.864 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -5.209 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: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -46.259472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.259472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.259472 (E_RNA) where: Base-Base interactions energy: -24.489 where: short stacking energy: -24.489 Base-Backbone interact. energy: 2.719 local terms energy: -24.489242 where: bonds (distance) C4'-P energy: -2.531 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -3.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -96.053116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.053116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.053116 (E_RNA) where: Base-Base interactions energy: -74.410 where: short stacking energy: -27.747 Base-Backbone interact. energy: -0.022 local terms energy: -21.620687 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -4.927 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: 1.190 tors. eta vs tors. theta energy: -4.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -64.174319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.174319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.174319 (E_RNA) where: Base-Base interactions energy: -31.642 where: short stacking energy: -31.642 Base-Backbone interact. energy: -0.000 local terms energy: -32.531856 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -8.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -84.661797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.661797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.661797 (E_RNA) where: Base-Base interactions energy: -56.602 where: short stacking energy: -22.960 Base-Backbone interact. energy: -0.001 local terms energy: -28.059410 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -3.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -76.815995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.815995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.815995 (E_RNA) where: Base-Base interactions energy: -48.619 where: short stacking energy: -20.521 Base-Backbone interact. energy: -0.043 local terms energy: -28.153672 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -4.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -48.044946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.044946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.044946 (E_RNA) where: Base-Base interactions energy: -24.526 where: short stacking energy: -24.526 Base-Backbone interact. energy: -0.001 local terms energy: -23.518206 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -2.030 tors. eta vs tors. theta energy: -3.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -43.556348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.556348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.556348 (E_RNA) where: Base-Base interactions energy: -21.519 where: short stacking energy: -9.451 Base-Backbone interact. energy: -0.070 local terms energy: -21.967377 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -2.527 tors. eta vs tors. theta energy: 0.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -40.577327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.577327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.577327 (E_RNA) where: Base-Base interactions energy: -14.588 where: short stacking energy: -13.964 Base-Backbone interact. energy: -0.004 local terms energy: -25.985269 where: bonds (distance) C4'-P energy: -5.935 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -2.621 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: 8 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -52.804342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.804342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.804342 (E_RNA) where: Base-Base interactions energy: -24.263 where: short stacking energy: -20.889 Base-Backbone interact. energy: -0.000 local terms energy: -28.541199 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -5.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -44.483057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.483057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.483057 (E_RNA) where: Base-Base interactions energy: -20.158 where: short stacking energy: -19.505 Base-Backbone interact. energy: -0.000 local terms energy: -24.325172 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -3.319 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -4.652 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: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -36.521850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.521850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.521850 (E_RNA) where: Base-Base interactions energy: -14.155 where: short stacking energy: -14.155 Base-Backbone interact. energy: -0.040 local terms energy: -22.326712 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -0.194 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: -5.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -96.930983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.930983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.930983 (E_RNA) where: Base-Base interactions energy: -72.646 where: short stacking energy: -28.370 Base-Backbone interact. energy: -0.057 local terms energy: -24.227585 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -6.353 flat angles P-C4'-P energy: -1.120 tors. eta vs tors. theta energy: -4.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -66.657081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.657081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.657081 (E_RNA) where: Base-Base interactions energy: -32.273 where: short stacking energy: -32.273 Base-Backbone interact. energy: -0.000 local terms energy: -34.384485 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: -8.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -88.449533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.449533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.449533 (E_RNA) where: Base-Base interactions energy: -61.486 where: short stacking energy: -23.093 Base-Backbone interact. energy: -0.467 local terms energy: -26.496359 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -2.650 tors. eta vs tors. theta energy: -6.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -77.844367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.844367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.844367 (E_RNA) where: Base-Base interactions energy: -51.211 where: short stacking energy: -22.521 Base-Backbone interact. energy: -0.000 local terms energy: -26.633212 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -4.649 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: 5, replica: 5 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -82.906574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.906574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.906574 (E_RNA) where: Base-Base interactions energy: -57.687 where: short stacking energy: -26.739 Base-Backbone interact. energy: -0.001 local terms energy: -25.217993 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -3.353 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: 6, replica: 3 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -47.905838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.905838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.905838 (E_RNA) where: Base-Base interactions energy: -26.585 where: short stacking energy: -13.353 Base-Backbone interact. energy: -0.085 local terms energy: -21.236235 where: bonds (distance) C4'-P energy: -5.483 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.156 flat angles P-C4'-P energy: -1.396 tors. eta vs tors. theta energy: -3.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -50.791700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.791700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.791700 (E_RNA) where: Base-Base interactions energy: -24.282 where: short stacking energy: -24.282 Base-Backbone interact. energy: -0.000 local terms energy: -26.509140 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -1.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -47.210035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.210035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.210035 (E_RNA) where: Base-Base interactions energy: -19.770 where: short stacking energy: -19.770 Base-Backbone interact. energy: -0.000 local terms energy: -27.440322 where: bonds (distance) C4'-P energy: -3.806 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -5.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -51.437111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.437111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.437111 (E_RNA) where: Base-Base interactions energy: -26.030 where: short stacking energy: -26.030 Base-Backbone interact. energy: -0.000 local terms energy: -25.406949 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -5.938 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: 10, replica: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -32.807717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.807717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.807717 (E_RNA) where: Base-Base interactions energy: -15.325 where: short stacking energy: -14.728 Base-Backbone interact. energy: -0.100 local terms energy: -17.382828 where: bonds (distance) C4'-P energy: -4.845 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -2.947 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: 0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -98.585857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.585857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.585857 (E_RNA) where: Base-Base interactions energy: -70.657 where: short stacking energy: -27.070 Base-Backbone interact. energy: -1.278 local terms energy: -26.650823 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -0.507 tors. eta vs tors. theta energy: -6.169 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: 2, replica: 9 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -88.584920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.584920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.584920 (E_RNA) where: Base-Base interactions energy: -65.988 where: short stacking energy: -24.068 Base-Backbone interact. energy: -0.590 local terms energy: -22.007893 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: 2.104 tors. eta vs tors. theta energy: -5.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -75.614866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.614866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.614866 (E_RNA) where: Base-Base interactions energy: -53.995 where: short stacking energy: -19.455 Base-Backbone interact. energy: -0.001 local terms energy: -21.618700 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -1.360 tors. eta vs tors. theta energy: -0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -82.944069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.944069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.944069 (E_RNA) where: Base-Base interactions energy: -57.834 where: short stacking energy: -19.883 Base-Backbone interact. energy: -0.000 local terms energy: -25.110120 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.164 flat angles P-C4'-P energy: -2.692 tors. eta vs tors. theta energy: -2.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -46.052069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.052069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.052069 (E_RNA) where: Base-Base interactions energy: -19.242 where: short stacking energy: -19.242 Base-Backbone interact. energy: -0.156 local terms energy: -26.654196 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -3.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -55.028390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.028390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.028390 (E_RNA) where: Base-Base interactions energy: -23.163 where: short stacking energy: -23.163 Base-Backbone interact. energy: -0.010 local terms energy: -31.856047 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.587 flat angles P-C4'-P energy: -4.197 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: 7, replica: 3 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -46.663034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.663034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.663034 (E_RNA) where: Base-Base interactions energy: -22.615 where: short stacking energy: -22.615 Base-Backbone interact. energy: -0.007 local terms energy: -24.040433 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -2.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -44.601330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.601330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.601330 (E_RNA) where: Base-Base interactions energy: -20.546 where: short stacking energy: -20.405 Base-Backbone interact. energy: -0.070 local terms energy: -23.985781 where: bonds (distance) C4'-P energy: -3.587 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -3.539 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: 9, replica: 6 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -51.370053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.370053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.370053 (E_RNA) where: Base-Base interactions energy: -22.522 where: short stacking energy: -22.522 Base-Backbone interact. energy: -0.017 local terms energy: -28.831415 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -3.932 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: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -48.785024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.785024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.785024 (E_RNA) where: Base-Base interactions energy: -19.400 where: short stacking energy: -18.368 Base-Backbone interact. energy: -0.000 local terms energy: -29.384712 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: -6.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -96.606744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.606744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.606744 (E_RNA) where: Base-Base interactions energy: -73.286 where: short stacking energy: -29.041 Base-Backbone interact. energy: -0.052 local terms energy: -23.268267 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: 1.432 tors. eta vs tors. theta energy: -5.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -84.406348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.406348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.406348 (E_RNA) where: Base-Base interactions energy: -60.310 where: short stacking energy: -23.206 Base-Backbone interact. energy: 0.820 local terms energy: -24.915878 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -0.306 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: 3, replica: 5 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -83.785878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.785878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.785878 (E_RNA) where: Base-Base interactions energy: -64.246 where: short stacking energy: -23.773 Base-Backbone interact. energy: -0.011 local terms energy: -19.529184 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -2.165 flat angles P-C4'-P energy: 0.690 tors. eta vs tors. theta energy: -4.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -79.738062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.738062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.738062 (E_RNA) where: Base-Base interactions energy: -58.687 where: short stacking energy: -21.556 Base-Backbone interact. energy: -0.002 local terms energy: -21.049257 where: bonds (distance) C4'-P energy: -4.577 bonds (distance) P-C4' energy: -4.382 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -2.859 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: 5, replica: 1 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -46.642496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.642496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.642496 (E_RNA) where: Base-Base interactions energy: -22.244 where: short stacking energy: -22.244 Base-Backbone interact. energy: -0.017 local terms energy: -24.380792 where: bonds (distance) C4'-P energy: -5.095 bonds (distance) P-C4' energy: -6.765 flat angles C4'-P-C4' energy: -6.636 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -2.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -46.308412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.308412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.308412 (E_RNA) where: Base-Base interactions energy: -19.907 where: short stacking energy: -19.907 Base-Backbone interact. energy: -0.084 local terms energy: -26.317218 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -5.517 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -3.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -46.832282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.832282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.832282 (E_RNA) where: Base-Base interactions energy: -21.747 where: short stacking energy: -21.747 Base-Backbone interact. energy: -0.002 local terms energy: -25.082423 where: bonds (distance) C4'-P energy: -4.059 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -2.439 tors. eta vs tors. theta energy: -5.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -41.279999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.279999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.279999 (E_RNA) where: Base-Base interactions energy: -17.957 where: short stacking energy: -15.781 Base-Backbone interact. energy: -0.502 local terms energy: -22.821226 where: bonds (distance) C4'-P energy: -4.830 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -1.945 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: 4 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -40.012120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.012120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.012120 (E_RNA) where: Base-Base interactions energy: -15.413 where: short stacking energy: -15.413 Base-Backbone interact. energy: -0.137 local terms energy: -24.462276 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -46.062079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.062079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.062079 (E_RNA) where: Base-Base interactions energy: -24.843 where: short stacking energy: -8.784 Base-Backbone interact. energy: -0.095 local terms energy: -21.123547 where: bonds (distance) C4'-P energy: -2.776 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -3.825 flat angles P-C4'-P energy: -2.726 tors. eta vs tors. theta energy: -4.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -98.915185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.915185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.915185 (E_RNA) where: Base-Base interactions energy: -74.252 where: short stacking energy: -28.335 Base-Backbone interact. energy: -0.013 local terms energy: -24.650253 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: 1.226 tors. eta vs tors. theta energy: -4.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -87.944952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.944952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.944952 (E_RNA) where: Base-Base interactions energy: -59.207 where: short stacking energy: -21.171 Base-Backbone interact. energy: -0.001 local terms energy: -28.736859 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.164 flat angles P-C4'-P energy: -2.181 tors. eta vs tors. theta energy: -6.247 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: 9 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -80.421641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.421641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.421641 (E_RNA) where: Base-Base interactions energy: -53.520 where: short stacking energy: -24.310 Base-Backbone interact. energy: -0.001 local terms energy: -26.900428 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -4.386 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: 1 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -48.828841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.828841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.828841 (E_RNA) where: Base-Base interactions energy: -25.823 where: short stacking energy: -19.227 Base-Backbone interact. energy: -0.790 local terms energy: -22.216269 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -74.676602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.676602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.676602 (E_RNA) where: Base-Base interactions energy: -53.187 where: short stacking energy: -18.268 Base-Backbone interact. energy: -0.000 local terms energy: -21.489814 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.712 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -1.927 tors. eta vs tors. theta energy: -2.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -40.996975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.996975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.996975 (E_RNA) where: Base-Base interactions energy: -15.370 where: short stacking energy: -15.370 Base-Backbone interact. energy: -0.011 local terms energy: -25.615997 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -45.981761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.981761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.981761 (E_RNA) where: Base-Base interactions energy: -19.027 where: short stacking energy: -19.027 Base-Backbone interact. energy: -0.010 local terms energy: -26.944639 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -3.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -43.314575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.314575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.314575 (E_RNA) where: Base-Base interactions energy: -20.134 where: short stacking energy: -19.576 Base-Backbone interact. energy: -0.027 local terms energy: -23.153354 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -6.495 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -1.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -40.883793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.883793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.883793 (E_RNA) where: Base-Base interactions energy: -15.697 where: short stacking energy: -9.552 Base-Backbone interact. energy: -0.001 local terms energy: -25.186057 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.900 flat angles P-C4'-P energy: -3.751 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: 10, replica: 6 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -34.564385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.564385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.564385 (E_RNA) where: Base-Base interactions energy: -14.503 where: short stacking energy: -13.676 Base-Backbone interact. energy: -0.071 local terms energy: -19.991091 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: 0.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -101.160529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.160529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.160529 (E_RNA) where: Base-Base interactions energy: -73.447 where: short stacking energy: -26.896 Base-Backbone interact. energy: -0.358 local terms energy: -27.355319 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.633 flat angles P-C4'-P energy: -1.635 tors. eta vs tors. theta energy: -4.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -89.567315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.567315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.567315 (E_RNA) where: Base-Base interactions energy: -64.887 where: short stacking energy: -23.155 Base-Backbone interact. energy: -0.251 local terms energy: -24.429597 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -0.139 tors. eta vs tors. theta energy: -6.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -81.845932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.845932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.845932 (E_RNA) where: Base-Base interactions energy: -61.898 where: short stacking energy: -21.787 Base-Backbone interact. energy: -0.002 local terms energy: -19.945638 where: bonds (distance) C4'-P energy: -2.519 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -0.986 tors. eta vs tors. theta energy: -3.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -49.319199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.319199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.319199 (E_RNA) where: Base-Base interactions energy: -20.934 where: short stacking energy: -20.934 Base-Backbone interact. energy: -0.001 local terms energy: -28.385138 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.994 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -81.679965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.679965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.679965 (E_RNA) where: Base-Base interactions energy: -57.870 where: short stacking energy: -26.185 Base-Backbone interact. energy: -0.015 local terms energy: -23.795743 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -2.717 tors. eta vs tors. theta energy: -2.425 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: 6, replica: 2 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -53.246561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.246561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.246561 (E_RNA) where: Base-Base interactions energy: -27.513 where: short stacking energy: -27.513 Base-Backbone interact. energy: -0.000 local terms energy: -25.733752 where: bonds (distance) C4'-P energy: -0.805 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -4.781 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: 7, replica: 4 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -51.776206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.776206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.776206 (E_RNA) where: Base-Base interactions energy: -24.022 where: short stacking energy: -23.587 Base-Backbone interact. energy: -0.000 local terms energy: -27.754269 where: bonds (distance) C4'-P energy: -4.030 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -5.000 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: 8 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -44.531239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.531239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.531239 (E_RNA) where: Base-Base interactions energy: -20.119 where: short stacking energy: -20.119 Base-Backbone interact. energy: -0.000 local terms energy: -24.412514 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -2.259 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -5.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -42.867359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.867359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.867359 (E_RNA) where: Base-Base interactions energy: -18.449 where: short stacking energy: -14.541 Base-Backbone interact. energy: -0.325 local terms energy: -24.093918 where: bonds (distance) C4'-P energy: -4.891 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -5.625 tors. eta vs tors. theta energy: -1.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -39.513379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.513379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.513379 (E_RNA) where: Base-Base interactions energy: -15.304 where: short stacking energy: -15.304 Base-Backbone interact. energy: -0.000 local terms energy: -24.209484 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: -0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -92.986350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.986350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.986350 (E_RNA) where: Base-Base interactions energy: -69.061 where: short stacking energy: -26.295 Base-Backbone interact. energy: -1.076 local terms energy: -22.849432 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -1.171 tors. eta vs tors. theta energy: -3.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -91.078470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.078470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.078470 (E_RNA) where: Base-Base interactions energy: -67.993 where: short stacking energy: -23.452 Base-Backbone interact. energy: -0.003 local terms energy: -23.082968 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: 0.964 tors. eta vs tors. theta energy: -5.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -81.437978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.437978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.437978 (E_RNA) where: Base-Base interactions energy: -55.404 where: short stacking energy: -26.199 Base-Backbone interact. energy: -0.076 local terms energy: -25.958001 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -4.370 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -5.290 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: 4, replica: 7 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -77.415029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.415029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.415029 (E_RNA) where: Base-Base interactions energy: -54.373 where: short stacking energy: -24.481 Base-Backbone interact. energy: -0.003 local terms energy: -23.038979 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -3.102 flat angles P-C4'-P energy: -3.223 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: 5, replica: 1 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -45.660037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.660037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.660037 (E_RNA) where: Base-Base interactions energy: -20.882 where: short stacking energy: -20.882 Base-Backbone interact. energy: -0.060 local terms energy: -24.717658 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -5.414 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -6.129 tors. eta vs tors. theta energy: -3.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -53.866914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.866914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.866914 (E_RNA) where: Base-Base interactions energy: -30.036 where: short stacking energy: -14.246 Base-Backbone interact. energy: -0.015 local terms energy: -23.816038 where: bonds (distance) C4'-P energy: -3.562 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: -2.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -49.099091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.099091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.099091 (E_RNA) where: Base-Base interactions energy: -24.031 where: short stacking energy: -23.333 Base-Backbone interact. energy: -0.001 local terms energy: -25.067540 where: bonds (distance) C4'-P energy: -4.895 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -4.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -47.308638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.308638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.308638 (E_RNA) where: Base-Base interactions energy: -24.135 where: short stacking energy: -24.135 Base-Backbone interact. energy: -0.000 local terms energy: -23.173521 where: bonds (distance) C4'-P energy: -2.345 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -6.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -53.907179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.907179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.907179 (E_RNA) where: Base-Base interactions energy: -31.279 where: short stacking energy: -19.523 Base-Backbone interact. energy: -0.132 local terms energy: -22.496678 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -2.797 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: -3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -39.569660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.569660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.569660 (E_RNA) where: Base-Base interactions energy: -14.870 where: short stacking energy: -14.870 Base-Backbone interact. energy: -0.004 local terms energy: -24.696128 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -1.646 flat angles P-C4'-P energy: -4.856 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: 1, replica: 10 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -90.604573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.604573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.604573 (E_RNA) where: Base-Base interactions energy: -64.551 where: short stacking energy: -25.069 Base-Backbone interact. energy: -0.075 local terms energy: -25.978667 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: -3.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -85.705000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.705000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.705000 (E_RNA) where: Base-Base interactions energy: -58.848 where: short stacking energy: -20.867 Base-Backbone interact. energy: -0.039 local terms energy: -26.818557 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -1.034 tors. eta vs tors. theta energy: -5.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -83.730207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.730207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.730207 (E_RNA) where: Base-Base interactions energy: -62.832 where: short stacking energy: -21.421 Base-Backbone interact. energy: -0.016 local terms energy: -20.881654 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: 0.584 tors. eta vs tors. theta energy: -3.511 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: 4, replica: 5 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -85.785878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.785878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.785878 (E_RNA) where: Base-Base interactions energy: -60.138 where: short stacking energy: -22.046 Base-Backbone interact. energy: -0.502 local terms energy: -25.146358 where: bonds (distance) C4'-P energy: -3.721 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -7.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -43.593016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.593016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.593016 (E_RNA) where: Base-Base interactions energy: -19.512 where: short stacking energy: -19.512 Base-Backbone interact. energy: -0.023 local terms energy: -24.058773 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.001 flat angles P-C4'-P energy: -2.183 tors. eta vs tors. theta energy: -4.673 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: 1 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -43.992428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.992428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.992428 (E_RNA) where: Base-Base interactions energy: -21.820 where: short stacking energy: -21.820 Base-Backbone interact. energy: -0.136 local terms energy: -22.036818 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -48.339194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.339194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.339194 (E_RNA) where: Base-Base interactions energy: -27.909 where: short stacking energy: -10.857 Base-Backbone interact. energy: -0.171 local terms energy: -20.259068 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -3.594 flat angles P-C4'-P energy: -2.869 tors. eta vs tors. theta energy: -1.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -47.066737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.066737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.066737 (E_RNA) where: Base-Base interactions energy: -22.629 where: short stacking energy: -22.629 Base-Backbone interact. energy: -0.017 local terms energy: -24.420843 where: bonds (distance) C4'-P energy: -3.951 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -3.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -37.530425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.530425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.530425 (E_RNA) where: Base-Base interactions energy: -15.555 where: short stacking energy: -15.555 Base-Backbone interact. energy: -0.001 local terms energy: -21.974604 where: bonds (distance) C4'-P energy: -3.443 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -4.074 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -48.147342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.147342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.147342 (E_RNA) where: Base-Base interactions energy: -26.697 where: short stacking energy: -13.306 Base-Backbone interact. energy: -0.021 local terms energy: -21.429152 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -5.879 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -0.931 tors. eta vs tors. theta energy: -4.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -100.503242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.503242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.503242 (E_RNA) where: Base-Base interactions energy: -73.778 where: short stacking energy: -28.125 Base-Backbone interact. energy: -0.255 local terms energy: -26.470263 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: 0.361 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: 2, replica: 7 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -83.848172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.848172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.848172 (E_RNA) where: Base-Base interactions energy: -56.764 where: short stacking energy: -22.275 Base-Backbone interact. energy: -0.002 local terms energy: -27.082490 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -2.425 tors. eta vs tors. theta energy: -5.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -82.228616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.228616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.228616 (E_RNA) where: Base-Base interactions energy: -54.848 where: short stacking energy: -25.294 Base-Backbone interact. energy: -0.122 local terms energy: -27.258725 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.223 flat angles P-C4'-P energy: -3.464 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: 4, replica: 5 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -82.972474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.972474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.972474 (E_RNA) where: Base-Base interactions energy: -60.753 where: short stacking energy: -22.929 Base-Backbone interact. energy: -0.036 local terms energy: -22.183284 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -2.538 tors. eta vs tors. theta energy: -0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -48.278740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.278740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.278740 (E_RNA) where: Base-Base interactions energy: -22.860 where: short stacking energy: -22.860 Base-Backbone interact. energy: -0.001 local terms energy: -25.417232 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -47.974585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.974585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.974585 (E_RNA) where: Base-Base interactions energy: -19.322 where: short stacking energy: -19.322 Base-Backbone interact. energy: -0.076 local terms energy: -28.576986 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: -5.078 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: 1 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -46.016773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.016773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.016773 (E_RNA) where: Base-Base interactions energy: -21.886 where: short stacking energy: -17.219 Base-Backbone interact. energy: -0.001 local terms energy: -24.129348 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -5.634 flat angles C4'-P-C4' energy: -6.755 flat angles P-C4'-P energy: -1.967 tors. eta vs tors. theta energy: -4.674 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: 3 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -48.107292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.107292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.107292 (E_RNA) where: Base-Base interactions energy: -23.903 where: short stacking energy: -17.972 Base-Backbone interact. energy: -0.100 local terms energy: -24.103542 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -43.094921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.094921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.094921 (E_RNA) where: Base-Base interactions energy: -19.888 where: short stacking energy: -19.826 Base-Backbone interact. energy: 0.694 local terms energy: -23.900880 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.093 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -1.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -38.928835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.928835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.928835 (E_RNA) where: Base-Base interactions energy: -22.575 where: short stacking energy: -22.575 Base-Backbone interact. energy: -0.018 local terms energy: -16.335103 where: bonds (distance) C4'-P energy: -1.463 bonds (distance) P-C4' energy: -6.332 flat angles C4'-P-C4' energy: -2.506 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -99.560022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.560022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.560022 (E_RNA) where: Base-Base interactions energy: -73.502 where: short stacking energy: -27.316 Base-Backbone interact. energy: -0.141 local terms energy: -25.917181 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -0.884 tors. eta vs tors. theta energy: -4.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -83.916170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.916170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.916170 (E_RNA) where: Base-Base interactions energy: -58.205 where: short stacking energy: -20.992 Base-Backbone interact. energy: -0.001 local terms energy: -25.711074 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -1.918 tors. eta vs tors. theta energy: -4.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -90.374143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.374143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.374143 (E_RNA) where: Base-Base interactions energy: -67.871 where: short stacking energy: -24.992 Base-Backbone interact. energy: -0.118 local terms energy: -22.385037 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -0.618 tors. eta vs tors. theta energy: -3.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -86.848934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.848934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.848934 (E_RNA) where: Base-Base interactions energy: -62.994 where: short stacking energy: -20.819 Base-Backbone interact. energy: -0.015 local terms energy: -23.839753 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: 1.075 tors. eta vs tors. theta energy: -6.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -58.623575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.623575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.623575 (E_RNA) where: Base-Base interactions energy: -27.975 where: short stacking energy: -27.975 Base-Backbone interact. energy: -0.000 local terms energy: -30.648581 where: bonds (distance) C4'-P energy: -3.774 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -8.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -42.342601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.342601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.342601 (E_RNA) where: Base-Base interactions energy: -15.905 where: short stacking energy: -15.905 Base-Backbone interact. energy: -0.023 local terms energy: -26.414433 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -47.416608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.416608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.416608 (E_RNA) where: Base-Base interactions energy: -20.826 where: short stacking energy: -20.826 Base-Backbone interact. energy: -0.004 local terms energy: -26.586611 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.032 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -5.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -47.267788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.267788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.267788 (E_RNA) where: Base-Base interactions energy: -25.496 where: short stacking energy: -15.340 Base-Backbone interact. energy: -0.117 local terms energy: -21.654393 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: 1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -40.649379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.649379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.649379 (E_RNA) where: Base-Base interactions energy: -16.000 where: short stacking energy: -15.093 Base-Backbone interact. energy: -0.931 local terms energy: -23.718548 where: bonds (distance) C4'-P energy: -5.185 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -39.102683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.102683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.102683 (E_RNA) where: Base-Base interactions energy: -17.869 where: short stacking energy: -7.750 Base-Backbone interact. energy: -0.019 local terms energy: -21.214607 where: bonds (distance) C4'-P energy: -4.883 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -3.859 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -0.753 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: 10 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -96.188210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.188210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.188210 (E_RNA) where: Base-Base interactions energy: -73.214 where: short stacking energy: -26.465 Base-Backbone interact. energy: -0.066 local terms energy: -22.907749 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: 0.004 tors. eta vs tors. theta energy: -4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -92.004892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.004892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.004892 (E_RNA) where: Base-Base interactions energy: -67.878 where: short stacking energy: -24.548 Base-Backbone interact. energy: -0.007 local terms energy: -24.120095 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.792 flat angles P-C4'-P energy: 1.988 tors. eta vs tors. theta energy: -4.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -91.310174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.310174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.310174 (E_RNA) where: Base-Base interactions energy: -69.196 where: short stacking energy: -23.193 Base-Backbone interact. energy: -0.001 local terms energy: -22.113635 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: 1.541 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -81.101334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.101334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.101334 (E_RNA) where: Base-Base interactions energy: -60.415 where: short stacking energy: -23.628 Base-Backbone interact. energy: -0.011 local terms energy: -20.675913 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -3.069 flat angles P-C4'-P energy: 0.719 tors. eta vs tors. theta energy: -6.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -54.440385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.440385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.440385 (E_RNA) where: Base-Base interactions energy: -23.846 where: short stacking energy: -23.846 Base-Backbone interact. energy: -0.000 local terms energy: -30.593886 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -5.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -49.478355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.478355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.478355 (E_RNA) where: Base-Base interactions energy: -28.227 where: short stacking energy: -14.104 Base-Backbone interact. energy: -0.102 local terms energy: -21.149332 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -1.700 tors. eta vs tors. theta energy: -0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -53.337345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.337345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.337345 (E_RNA) where: Base-Base interactions energy: -28.569 where: short stacking energy: -28.569 Base-Backbone interact. energy: -0.002 local terms energy: -24.766681 where: bonds (distance) C4'-P energy: -4.883 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -3.273 flat angles P-C4'-P energy: -5.214 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -47.515219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.515219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.515219 (E_RNA) where: Base-Base interactions energy: -18.611 where: short stacking energy: -18.611 Base-Backbone interact. energy: -0.030 local terms energy: -28.874437 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -5.852 tors. eta vs tors. theta energy: -3.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -41.340998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.340998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.340998 (E_RNA) where: Base-Base interactions energy: -21.915 where: short stacking energy: -13.399 Base-Backbone interact. energy: -0.020 local terms energy: -19.406058 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.051 flat angles P-C4'-P energy: -1.196 tors. eta vs tors. theta energy: -3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -48.451926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.451926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.451926 (E_RNA) where: Base-Base interactions energy: -28.281 where: short stacking energy: -13.935 Base-Backbone interact. energy: -0.201 local terms energy: -19.969549 where: bonds (distance) C4'-P energy: -3.551 bonds (distance) P-C4' energy: -3.069 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -6.071 tors. eta vs tors. theta energy: -1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -95.473014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.473014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.473014 (E_RNA) where: Base-Base interactions energy: -71.295 where: short stacking energy: -27.674 Base-Backbone interact. energy: -0.006 local terms energy: -24.171765 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: 2.842 tors. eta vs tors. theta energy: -6.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -82.967308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.967308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.967308 (E_RNA) where: Base-Base interactions energy: -52.748 where: short stacking energy: -20.761 Base-Backbone interact. energy: -0.093 local terms energy: -30.127019 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -3.061 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: 3, replica: 5 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -86.815849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.815849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.815849 (E_RNA) where: Base-Base interactions energy: -62.612 where: short stacking energy: -21.485 Base-Backbone interact. energy: -0.069 local terms energy: -24.135426 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: 0.407 tors. eta vs tors. theta energy: -4.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -91.849994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.849994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.849994 (E_RNA) where: Base-Base interactions energy: -72.005 where: short stacking energy: -28.732 Base-Backbone interact. energy: -0.001 local terms energy: -19.844421 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.011 flat angles P-C4'-P energy: 4.925 tors. eta vs tors. theta energy: -4.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -53.068371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.068371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.068371 (E_RNA) where: Base-Base interactions energy: -27.972 where: short stacking energy: -25.538 Base-Backbone interact. energy: -0.001 local terms energy: -25.095038 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.257 flat angles P-C4'-P energy: -3.281 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: 6, replica: 6 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -77.599448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.599448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.599448 (E_RNA) where: Base-Base interactions energy: -50.752 where: short stacking energy: -21.183 Base-Backbone interact. energy: -0.001 local terms energy: -26.846662 where: bonds (distance) C4'-P energy: -5.156 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -2.629 tors. eta vs tors. theta energy: -4.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -51.820582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.820582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.820582 (E_RNA) where: Base-Base interactions energy: -22.802 where: short stacking energy: -22.802 Base-Backbone interact. energy: -0.010 local terms energy: -29.008122 where: bonds (distance) C4'-P energy: -5.496 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -2.716 tors. eta vs tors. theta energy: -6.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -43.222146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.222146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.222146 (E_RNA) where: Base-Base interactions energy: -18.469 where: short stacking energy: -18.469 Base-Backbone interact. energy: -0.000 local terms energy: -24.752834 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -1.467 tors. eta vs tors. theta energy: -4.260 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: 2 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -38.884037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.884037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.884037 (E_RNA) where: Base-Base interactions energy: -15.667 where: short stacking energy: -15.667 Base-Backbone interact. energy: -0.001 local terms energy: -23.216224 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -2.565 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -1.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -46.630259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.630259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.630259 (E_RNA) where: Base-Base interactions energy: -21.360 where: short stacking energy: -21.360 Base-Backbone interact. energy: -0.098 local terms energy: -25.171498 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -5.176 tors. eta vs tors. theta energy: -4.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -92.504242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.504242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.504242 (E_RNA) where: Base-Base interactions energy: -68.437 where: short stacking energy: -28.292 Base-Backbone interact. energy: -0.002 local terms energy: -24.065059 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.590 flat angles P-C4'-P energy: 1.805 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: 2, replica: 5 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -87.744619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.744619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.744619 (E_RNA) where: Base-Base interactions energy: -60.404 where: short stacking energy: -18.406 Base-Backbone interact. energy: 0.428 local terms energy: -27.768808 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -1.873 tors. eta vs tors. theta energy: -5.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -81.154401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.154401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.154401 (E_RNA) where: Base-Base interactions energy: -58.175 where: short stacking energy: -23.899 Base-Backbone interact. energy: -0.004 local terms energy: -22.975723 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: 0.183 tors. eta vs tors. theta energy: -4.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -79.475763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.475763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.475763 (E_RNA) where: Base-Base interactions energy: -52.779 where: short stacking energy: -28.192 Base-Backbone interact. energy: -0.035 local terms energy: -26.662068 where: bonds (distance) C4'-P energy: -4.560 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -4.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -50.039085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.039085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.039085 (E_RNA) where: Base-Base interactions energy: -26.557 where: short stacking energy: -13.221 Base-Backbone interact. energy: -0.004 local terms energy: -23.478563 where: bonds (distance) C4'-P energy: -3.951 bonds (distance) P-C4' energy: -5.160 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: -3.249 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: 6, replica: 8 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -47.110574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.110574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.110574 (E_RNA) where: Base-Base interactions energy: -19.849 where: short stacking energy: -19.849 Base-Backbone interact. energy: -0.018 local terms energy: -27.244104 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -5.713 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -5.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -66.595193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.595193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.595193 (E_RNA) where: Base-Base interactions energy: -45.256 where: short stacking energy: -15.144 Base-Backbone interact. energy: -0.064 local terms energy: -21.274657 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -1.749 tors. eta vs tors. theta energy: -1.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -46.869064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.869064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.869064 (E_RNA) where: Base-Base interactions energy: -20.517 where: short stacking energy: -20.143 Base-Backbone interact. energy: -0.000 local terms energy: -26.351936 where: bonds (distance) C4'-P energy: -1.712 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -7.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -38.254472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.254472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.254472 (E_RNA) where: Base-Base interactions energy: -15.356 where: short stacking energy: -15.356 Base-Backbone interact. energy: -0.001 local terms energy: -22.897364 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -4.505 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -52.746657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.746657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.746657 (E_RNA) where: Base-Base interactions energy: -35.063 where: short stacking energy: -13.635 Base-Backbone interact. energy: -0.014 local terms energy: -17.669076 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -4.383 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -1.848 tors. eta vs tors. theta energy: -1.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -93.853923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.853923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.853923 (E_RNA) where: Base-Base interactions energy: -66.426 where: short stacking energy: -23.994 Base-Backbone interact. energy: -0.020 local terms energy: -27.407780 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -1.146 tors. eta vs tors. theta energy: -5.552 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: 5 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -78.055511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.055511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.055511 (E_RNA) where: Base-Base interactions energy: -50.970 where: short stacking energy: -21.815 Base-Backbone interact. energy: -0.093 local terms energy: -26.991840 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -82.377137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.377137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.377137 (E_RNA) where: Base-Base interactions energy: -58.065 where: short stacking energy: -24.620 Base-Backbone interact. energy: -0.001 local terms energy: -24.310767 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.655 flat angles P-C4'-P energy: -1.762 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -81.247901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.247901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.247901 (E_RNA) where: Base-Base interactions energy: -54.507 where: short stacking energy: -22.900 Base-Backbone interact. energy: -0.005 local terms energy: -26.735291 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -4.986 flat angles C4'-P-C4' energy: -6.069 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -4.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -49.787448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.787448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.787448 (E_RNA) where: Base-Base interactions energy: -18.807 where: short stacking energy: -18.807 Base-Backbone interact. energy: -0.061 local terms energy: -30.919192 where: bonds (distance) C4'-P energy: -4.548 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -6.291 tors. eta vs tors. theta energy: -5.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -56.582473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.582473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.582473 (E_RNA) where: Base-Base interactions energy: -26.002 where: short stacking energy: -26.002 Base-Backbone interact. energy: -0.000 local terms energy: -30.580823 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -6.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -44.134562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.134562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.134562 (E_RNA) where: Base-Base interactions energy: -19.383 where: short stacking energy: -19.383 Base-Backbone interact. energy: -0.057 local terms energy: -24.694911 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -1.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -46.567555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.567555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.567555 (E_RNA) where: Base-Base interactions energy: -22.850 where: short stacking energy: -22.850 Base-Backbone interact. energy: -0.073 local terms energy: -23.644695 where: bonds (distance) C4'-P energy: -5.111 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -0.306 tors. eta vs tors. theta energy: -4.945 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: 486 Temperature: 1.300000 Total energy: -50.019987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.019987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.019987 (E_RNA) where: Base-Base interactions energy: -34.671 where: short stacking energy: -10.609 Base-Backbone interact. energy: -0.005 local terms energy: -15.343733 where: bonds (distance) C4'-P energy: -3.526 bonds (distance) P-C4' energy: -4.827 flat angles C4'-P-C4' energy: -4.205 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: 0.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -35.198228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.198228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.198228 (E_RNA) where: Base-Base interactions energy: -13.522 where: short stacking energy: -13.522 Base-Backbone interact. energy: -0.001 local terms energy: -21.675414 where: bonds (distance) C4'-P energy: -4.059 bonds (distance) P-C4' energy: -5.882 flat angles C4'-P-C4' energy: -2.961 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -3.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -86.566673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.566673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.566673 (E_RNA) where: Base-Base interactions energy: -60.493 where: short stacking energy: -25.313 Base-Backbone interact. energy: -0.000 local terms energy: -26.073065 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -6.047 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -3.345 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: 2, replica: 7 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -88.723333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.723333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.723333 (E_RNA) where: Base-Base interactions energy: -63.552 where: short stacking energy: -26.602 Base-Backbone interact. energy: -0.002 local terms energy: -25.169337 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -0.035 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: 3, replica: 5 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -78.529066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.529066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.529066 (E_RNA) where: Base-Base interactions energy: -57.072 where: short stacking energy: -24.324 Base-Backbone interact. energy: -0.002 local terms energy: -21.454780 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.091 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: -1.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -81.551849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.551849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.551849 (E_RNA) where: Base-Base interactions energy: -57.930 where: short stacking energy: -24.360 Base-Backbone interact. energy: -0.000 local terms energy: -23.621810 where: bonds (distance) C4'-P energy: -6.887 bonds (distance) P-C4' energy: -5.749 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -3.005 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: 8 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -48.584508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.584508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.584508 (E_RNA) where: Base-Base interactions energy: -18.916 where: short stacking energy: -18.916 Base-Backbone interact. energy: -0.050 local terms energy: -29.619074 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -6.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -55.027858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.027858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.027858 (E_RNA) where: Base-Base interactions energy: -26.164 where: short stacking energy: -26.164 Base-Backbone interact. energy: -0.001 local terms energy: -28.862438 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -2.282 flat angles P-C4'-P energy: -4.934 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: 7, replica: 2 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -42.544580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.544580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.544580 (E_RNA) where: Base-Base interactions energy: -19.544 where: short stacking energy: -13.033 Base-Backbone interact. energy: -0.139 local terms energy: -22.861995 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -5.280 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -2.881 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: 8, replica: 1 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -48.947195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.947195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.947195 (E_RNA) where: Base-Base interactions energy: -26.824 where: short stacking energy: -18.597 Base-Backbone interact. energy: -0.025 local terms energy: -22.098549 where: bonds (distance) C4'-P energy: -5.152 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -1.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -39.319191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.319191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.319191 (E_RNA) where: Base-Base interactions energy: -17.740 where: short stacking energy: -17.740 Base-Backbone interact. energy: -0.004 local terms energy: -21.575573 where: bonds (distance) C4'-P energy: -4.059 bonds (distance) P-C4' energy: -4.927 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -38.436967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.436967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.436967 (E_RNA) where: Base-Base interactions energy: -18.451 where: short stacking energy: -17.053 Base-Backbone interact. energy: -0.017 local terms energy: -19.969226 where: bonds (distance) C4'-P energy: -1.886 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -1.600 tors. eta vs tors. theta energy: -5.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -88.115044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.115044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.115044 (E_RNA) where: Base-Base interactions energy: -63.098 where: short stacking energy: -23.285 Base-Backbone interact. energy: 0.607 local terms energy: -25.624140 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -1.905 tors. eta vs tors. theta energy: -6.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -79.067765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.067765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.067765 (E_RNA) where: Base-Base interactions energy: -55.216 where: short stacking energy: -23.020 Base-Backbone interact. energy: -0.002 local terms energy: -23.849744 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -4.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -81.196028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.196028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.196028 (E_RNA) where: Base-Base interactions energy: -51.218 where: short stacking energy: -24.433 Base-Backbone interact. energy: -0.000 local terms energy: -29.977381 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -5.620 tors. eta vs tors. theta energy: -5.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -80.699485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.699485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.699485 (E_RNA) where: Base-Base interactions energy: -57.977 where: short stacking energy: -20.645 Base-Backbone interact. energy: -0.003 local terms energy: -22.720004 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -2.582 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -1.200 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: 5, replica: 3 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -49.490354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.490354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.490354 (E_RNA) where: Base-Base interactions energy: -22.609 where: short stacking energy: -22.609 Base-Backbone interact. energy: -0.003 local terms energy: -26.878224 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -5.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -42.922141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.922141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.922141 (E_RNA) where: Base-Base interactions energy: -24.498 where: short stacking energy: -24.498 Base-Backbone interact. energy: -0.002 local terms energy: -18.421873 where: bonds (distance) C4'-P energy: -5.627 bonds (distance) P-C4' energy: -2.981 flat angles C4'-P-C4' energy: -2.671 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -54.013781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.013781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.013781 (E_RNA) where: Base-Base interactions energy: -27.050 where: short stacking energy: -21.913 Base-Backbone interact. energy: -0.065 local terms energy: -26.898639 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -5.403 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: 8, replica: 2 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -44.085414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.085414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.085414 (E_RNA) where: Base-Base interactions energy: -17.608 where: short stacking energy: -17.608 Base-Backbone interact. energy: -0.000 local terms energy: -26.476733 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -6.581 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -2.468 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: 9, replica: 4 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -47.621368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.621368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.621368 (E_RNA) where: Base-Base interactions energy: -24.646 where: short stacking energy: -24.079 Base-Backbone interact. energy: -0.000 local terms energy: -22.975302 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -1.265 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -4.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -36.056841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.056841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.056841 (E_RNA) where: Base-Base interactions energy: -15.555 where: short stacking energy: -15.128 Base-Backbone interact. energy: 0.331 local terms energy: -20.832810 where: bonds (distance) C4'-P energy: -4.561 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -6.521 flat angles P-C4'-P energy: -3.215 tors. eta vs tors. theta energy: -1.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -89.544979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.544979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.544979 (E_RNA) where: Base-Base interactions energy: -64.485 where: short stacking energy: -24.567 Base-Backbone interact. energy: -0.000 local terms energy: -25.059282 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: 1.066 tors. eta vs tors. theta energy: -5.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -95.511582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.511582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.511582 (E_RNA) where: Base-Base interactions energy: -70.023 where: short stacking energy: -24.068 Base-Backbone interact. energy: -0.122 local terms energy: -25.366261 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -1.150 tors. eta vs tors. theta energy: -4.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -80.681934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.681934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.681934 (E_RNA) where: Base-Base interactions energy: -54.138 where: short stacking energy: -24.069 Base-Backbone interact. energy: -0.373 local terms energy: -26.171043 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -2.793 tors. eta vs tors. theta energy: -4.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -83.072094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.072094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.072094 (E_RNA) where: Base-Base interactions energy: -62.876 where: short stacking energy: -21.906 Base-Backbone interact. energy: -0.002 local terms energy: -20.194682 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: 3.429 tors. eta vs tors. theta energy: -3.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -59.345955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.345955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.345955 (E_RNA) where: Base-Base interactions energy: -36.229 where: short stacking energy: -17.903 Base-Backbone interact. energy: 2.762 local terms energy: -25.879004 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -2.214 tors. eta vs tors. theta energy: -3.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -49.651941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.651941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.651941 (E_RNA) where: Base-Base interactions energy: -22.970 where: short stacking energy: -22.970 Base-Backbone interact. energy: -0.057 local terms energy: -26.624896 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -6.048 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -2.678 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -52.201723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.201723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.201723 (E_RNA) where: Base-Base interactions energy: -29.198 where: short stacking energy: -21.717 Base-Backbone interact. energy: -0.000 local terms energy: -23.003620 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -0.975 tors. eta vs tors. theta energy: -2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -46.900588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.900588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.900588 (E_RNA) where: Base-Base interactions energy: -22.880 where: short stacking energy: -17.288 Base-Backbone interact. energy: -0.004 local terms energy: -24.016513 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -1.706 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: 2 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -40.393771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.393771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.393771 (E_RNA) where: Base-Base interactions energy: -23.196 where: short stacking energy: -16.494 Base-Backbone interact. energy: -0.010 local terms energy: -17.187578 where: bonds (distance) C4'-P energy: -5.325 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -2.704 flat angles P-C4'-P energy: -1.561 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -43.284122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.284122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.284122 (E_RNA) where: Base-Base interactions energy: -22.010 where: short stacking energy: -15.794 Base-Backbone interact. energy: -0.097 local terms energy: -21.177170 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -3.693 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -101.138077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.138077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.138077 (E_RNA) where: Base-Base interactions energy: -74.239 where: short stacking energy: -27.659 Base-Backbone interact. energy: -0.055 local terms energy: -26.844040 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -2.395 tors. eta vs tors. theta energy: -6.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -89.819790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.819790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.819790 (E_RNA) where: Base-Base interactions energy: -69.444 where: short stacking energy: -29.137 Base-Backbone interact. energy: -0.007 local terms energy: -20.368893 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: 3.902 tors. eta vs tors. theta energy: -5.123 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: 5 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -79.267066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.267066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.267066 (E_RNA) where: Base-Base interactions energy: -53.095 where: short stacking energy: -23.882 Base-Backbone interact. energy: -0.001 local terms energy: -26.170870 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -5.044 flat angles C4'-P-C4' energy: -3.432 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: -6.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -78.982608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.982608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.982608 (E_RNA) where: Base-Base interactions energy: -51.424 where: short stacking energy: -22.861 Base-Backbone interact. energy: -0.031 local terms energy: -27.527983 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -4.963 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: 5, replica: 3 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -48.721312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.721312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.721312 (E_RNA) where: Base-Base interactions energy: -25.713 where: short stacking energy: -25.713 Base-Backbone interact. energy: -0.019 local terms energy: -22.989340 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -3.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -48.960069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.960069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.960069 (E_RNA) where: Base-Base interactions energy: -21.883 where: short stacking energy: -13.346 Base-Backbone interact. energy: -0.480 local terms energy: -26.597168 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -4.574 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: 7, replica: 8 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -40.272729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.272729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.272729 (E_RNA) where: Base-Base interactions energy: -13.189 where: short stacking energy: -12.275 Base-Backbone interact. energy: -0.000 local terms energy: -27.083743 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -5.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -40.649830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.649830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.649830 (E_RNA) where: Base-Base interactions energy: -17.801 where: short stacking energy: -11.999 Base-Backbone interact. energy: -0.109 local terms energy: -22.740026 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -2.881 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: -1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -47.263559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.263559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.263559 (E_RNA) where: Base-Base interactions energy: -22.572 where: short stacking energy: -15.934 Base-Backbone interact. energy: -0.009 local terms energy: -24.682851 where: bonds (distance) C4'-P energy: -4.783 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -3.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -47.567130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.567130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.567130 (E_RNA) where: Base-Base interactions energy: -22.790 where: short stacking energy: -19.875 Base-Backbone interact. energy: -0.001 local terms energy: -24.776415 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -3.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -99.309102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.309102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.309102 (E_RNA) where: Base-Base interactions energy: -75.536 where: short stacking energy: -28.045 Base-Backbone interact. energy: -0.000 local terms energy: -23.773121 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -6.047 flat angles C4'-P-C4' energy: -6.793 flat angles P-C4'-P energy: -0.186 tors. eta vs tors. theta energy: -4.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -84.754287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.754287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.754287 (E_RNA) where: Base-Base interactions energy: -58.932 where: short stacking energy: -21.787 Base-Backbone interact. energy: -0.001 local terms energy: -25.821237 where: bonds (distance) C4'-P energy: -2.726 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -3.439 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: 7 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -79.566102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.566102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.566102 (E_RNA) where: Base-Base interactions energy: -60.207 where: short stacking energy: -22.715 Base-Backbone interact. energy: -0.024 local terms energy: -19.334967 where: bonds (distance) C4'-P energy: -3.542 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: 0.694 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: 4, replica: 9 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -79.638352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.638352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.638352 (E_RNA) where: Base-Base interactions energy: -56.182 where: short stacking energy: -18.321 Base-Backbone interact. energy: -1.167 local terms energy: -22.288765 where: bonds (distance) C4'-P energy: -7.541 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: 0.100 tors. eta vs tors. theta energy: -3.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -53.142150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.142150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.142150 (E_RNA) where: Base-Base interactions energy: -32.308 where: short stacking energy: -18.097 Base-Backbone interact. energy: -0.045 local terms energy: -20.789155 where: bonds (distance) C4'-P energy: -4.085 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -4.507 flat angles P-C4'-P energy: -3.263 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -41.961413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.961413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.961413 (E_RNA) where: Base-Base interactions energy: -20.222 where: short stacking energy: -14.792 Base-Backbone interact. energy: -0.078 local terms energy: -21.660870 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: 0.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -50.889368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.889368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.889368 (E_RNA) where: Base-Base interactions energy: -21.115 where: short stacking energy: -21.115 Base-Backbone interact. energy: -0.023 local terms energy: -29.751470 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -5.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -37.955599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.955599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.955599 (E_RNA) where: Base-Base interactions energy: -11.109 where: short stacking energy: -11.109 Base-Backbone interact. energy: -0.000 local terms energy: -26.846874 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -4.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -43.090710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.090710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.090710 (E_RNA) where: Base-Base interactions energy: -18.022 where: short stacking energy: -18.022 Base-Backbone interact. energy: -0.000 local terms energy: -25.068828 where: bonds (distance) C4'-P energy: -3.720 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -5.440 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: 6 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -38.160454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.160454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.160454 (E_RNA) where: Base-Base interactions energy: -12.016 where: short stacking energy: -12.016 Base-Backbone interact. energy: -0.000 local terms energy: -26.144245 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: -1.777 tors. eta vs tors. theta energy: -4.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -95.053161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.053161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.053161 (E_RNA) where: Base-Base interactions energy: -70.318 where: short stacking energy: -27.179 Base-Backbone interact. energy: -0.132 local terms energy: -24.603350 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -4.393 flat angles C4'-P-C4' energy: -6.908 flat angles P-C4'-P energy: -1.518 tors. eta vs tors. theta energy: -5.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -86.650457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.650457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.650457 (E_RNA) where: Base-Base interactions energy: -62.325 where: short stacking energy: -25.919 Base-Backbone interact. energy: -0.009 local terms energy: -24.316352 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -1.084 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: 9 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -83.867185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.867185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.867185 (E_RNA) where: Base-Base interactions energy: -61.823 where: short stacking energy: -25.035 Base-Backbone interact. energy: -0.005 local terms energy: -22.039316 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: 1.454 tors. eta vs tors. theta energy: -4.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -80.650578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.650578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.650578 (E_RNA) where: Base-Base interactions energy: -55.530 where: short stacking energy: -24.582 Base-Backbone interact. energy: -0.002 local terms energy: -25.118748 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -4.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -41.988483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.988483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.988483 (E_RNA) where: Base-Base interactions energy: -20.068 where: short stacking energy: -14.744 Base-Backbone interact. energy: -0.121 local terms energy: -21.798960 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -1.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -47.010538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.010538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.010538 (E_RNA) where: Base-Base interactions energy: -25.647 where: short stacking energy: -10.420 Base-Backbone interact. energy: -0.011 local terms energy: -21.352935 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -5.321 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -1.254 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: 7, replica: 2 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -48.056620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.056620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.056620 (E_RNA) where: Base-Base interactions energy: -19.963 where: short stacking energy: -19.963 Base-Backbone interact. energy: -0.061 local terms energy: -28.032548 where: bonds (distance) C4'-P energy: -4.370 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -5.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -41.489382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.489382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.489382 (E_RNA) where: Base-Base interactions energy: -23.384 where: short stacking energy: -23.384 Base-Backbone interact. energy: 0.169 local terms energy: -18.274186 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -3.123 flat angles P-C4'-P energy: -1.353 tors. eta vs tors. theta energy: -0.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -45.770306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.770306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.770306 (E_RNA) where: Base-Base interactions energy: -24.503 where: short stacking energy: -17.895 Base-Backbone interact. energy: -0.000 local terms energy: -21.266866 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -4.128 flat angles P-C4'-P energy: -1.751 tors. eta vs tors. theta energy: -3.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -46.003671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.003671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.003671 (E_RNA) where: Base-Base interactions energy: -24.768 where: short stacking energy: -17.977 Base-Backbone interact. energy: -0.011 local terms energy: -21.224885 where: bonds (distance) C4'-P energy: -5.058 bonds (distance) P-C4' energy: -5.717 flat angles C4'-P-C4' energy: -1.980 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -5.364 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: 10 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -97.509798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.509798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.509798 (E_RNA) where: Base-Base interactions energy: -69.942 where: short stacking energy: -27.330 Base-Backbone interact. energy: -0.103 local terms energy: -27.463955 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -2.774 tors. eta vs tors. theta energy: -5.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -84.353897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.353897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.353897 (E_RNA) where: Base-Base interactions energy: -55.078 where: short stacking energy: -24.860 Base-Backbone interact. energy: -0.000 local terms energy: -29.275609 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -4.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -83.017633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.017633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.017633 (E_RNA) where: Base-Base interactions energy: -59.070 where: short stacking energy: -22.002 Base-Backbone interact. energy: -0.011 local terms energy: -23.935973 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -2.318 tors. eta vs tors. theta energy: -3.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -79.798705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.798705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.798705 (E_RNA) where: Base-Base interactions energy: -54.565 where: short stacking energy: -25.626 Base-Backbone interact. energy: -0.001 local terms energy: -25.232982 where: bonds (distance) C4'-P energy: -4.482 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -54.481624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.481624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.481624 (E_RNA) where: Base-Base interactions energy: -31.810 where: short stacking energy: -21.912 Base-Backbone interact. energy: -0.096 local terms energy: -22.575420 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -2.291 tors. eta vs tors. theta energy: -1.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -77.496177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.496177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.496177 (E_RNA) where: Base-Base interactions energy: -50.387 where: short stacking energy: -22.618 Base-Backbone interact. energy: -0.167 local terms energy: -26.941406 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -3.629 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: 3 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -78.165137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.165137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.165137 (E_RNA) where: Base-Base interactions energy: -54.090 where: short stacking energy: -19.313 Base-Backbone interact. energy: -0.003 local terms energy: -24.072213 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -1.002 tors. eta vs tors. theta energy: -4.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -42.903275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.903275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.903275 (E_RNA) where: Base-Base interactions energy: -15.579 where: short stacking energy: -15.579 Base-Backbone interact. energy: -0.617 local terms energy: -26.706990 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -2.346 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -40.737648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.737648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.737648 (E_RNA) where: Base-Base interactions energy: -19.223 where: short stacking energy: -17.648 Base-Backbone interact. energy: -0.633 local terms energy: -20.881717 where: bonds (distance) C4'-P energy: -2.788 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -3.109 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -3.030 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: 4 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -42.948349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.948349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.948349 (E_RNA) where: Base-Base interactions energy: -19.981 where: short stacking energy: -19.981 Base-Backbone interact. energy: -0.009 local terms energy: -22.958763 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -2.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -85.511817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.511817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.511817 (E_RNA) where: Base-Base interactions energy: -58.792 where: short stacking energy: -25.676 Base-Backbone interact. energy: -0.002 local terms energy: -26.718414 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: -3.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -95.498937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.498937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.498937 (E_RNA) where: Base-Base interactions energy: -71.868 where: short stacking energy: -29.050 Base-Backbone interact. energy: -0.000 local terms energy: -23.630125 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: 1.891 tors. eta vs tors. theta energy: -4.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -88.056934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.056934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.056934 (E_RNA) where: Base-Base interactions energy: -67.843 where: short stacking energy: -26.491 Base-Backbone interact. energy: -0.040 local terms energy: -20.174039 where: bonds (distance) C4'-P energy: -4.974 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: 2.211 tors. eta vs tors. theta energy: -4.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -85.288034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.288034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.288034 (E_RNA) where: Base-Base interactions energy: -65.721 where: short stacking energy: -26.494 Base-Backbone interact. energy: -0.729 local terms energy: -18.838634 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -3.982 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -0.532 tors. eta vs tors. theta energy: -3.111 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: 2 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -77.576295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.576295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.576295 (E_RNA) where: Base-Base interactions energy: -57.793 where: short stacking energy: -22.850 Base-Backbone interact. energy: -0.030 local terms energy: -19.753024 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -3.345 flat angles P-C4'-P energy: 0.261 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -55.586999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.586999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.586999 (E_RNA) where: Base-Base interactions energy: -28.187 where: short stacking energy: -28.187 Base-Backbone interact. energy: -0.000 local terms energy: -27.400063 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -2.978 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: 7, replica: 3 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -65.903501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.903501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.903501 (E_RNA) where: Base-Base interactions energy: -41.677 where: short stacking energy: -21.061 Base-Backbone interact. energy: -0.024 local terms energy: -24.202738 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -2.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -45.409117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.409117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.409117 (E_RNA) where: Base-Base interactions energy: -22.032 where: short stacking energy: -22.032 Base-Backbone interact. energy: -0.064 local terms energy: -23.313024 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -1.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -40.270522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.270522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.270522 (E_RNA) where: Base-Base interactions energy: -16.727 where: short stacking energy: -16.727 Base-Backbone interact. energy: -0.000 local terms energy: -23.543019 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -2.217 tors. eta vs tors. theta energy: -2.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -41.648905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.648905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.648905 (E_RNA) where: Base-Base interactions energy: -17.585 where: short stacking energy: -17.585 Base-Backbone interact. energy: -0.004 local terms energy: -24.060285 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.523 flat angles P-C4'-P energy: -3.175 tors. eta vs tors. theta energy: -2.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -85.039248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.039248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.039248 (E_RNA) where: Base-Base interactions energy: -60.157 where: short stacking energy: -24.853 Base-Backbone interact. energy: -0.000 local terms energy: -24.881799 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.225 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -1.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -89.956138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.956138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.956138 (E_RNA) where: Base-Base interactions energy: -68.114 where: short stacking energy: -26.674 Base-Backbone interact. energy: -0.047 local terms energy: -21.794361 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.784 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -1.123 tors. eta vs tors. theta energy: -3.694 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: 7 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -72.391406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.391406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.391406 (E_RNA) where: Base-Base interactions energy: -50.349 where: short stacking energy: -21.975 Base-Backbone interact. energy: -0.001 local terms energy: -22.041014 where: bonds (distance) C4'-P energy: -4.403 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -1.474 tors. eta vs tors. theta energy: -4.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -82.763571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.763571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.763571 (E_RNA) where: Base-Base interactions energy: -60.448 where: short stacking energy: -22.513 Base-Backbone interact. energy: -0.000 local terms energy: -22.315252 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -1.466 tors. eta vs tors. theta energy: -2.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -78.724596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.724596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.724596 (E_RNA) where: Base-Base interactions energy: -52.666 where: short stacking energy: -17.988 Base-Backbone interact. energy: -0.105 local terms energy: -25.954151 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -4.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -52.437007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.437007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.437007 (E_RNA) where: Base-Base interactions energy: -24.258 where: short stacking energy: -24.258 Base-Backbone interact. energy: -0.000 local terms energy: -28.179050 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.388 flat angles P-C4'-P energy: -4.956 tors. eta vs tors. theta energy: -4.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -46.924728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.924728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.924728 (E_RNA) where: Base-Base interactions energy: -20.557 where: short stacking energy: -20.557 Base-Backbone interact. energy: -0.000 local terms energy: -26.367396 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -3.216 tors. eta vs tors. theta energy: -4.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -42.718209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.718209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.718209 (E_RNA) where: Base-Base interactions energy: -18.109 where: short stacking energy: -18.109 Base-Backbone interact. energy: -0.000 local terms energy: -24.608565 where: bonds (distance) C4'-P energy: -4.560 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -3.663 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -3.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -48.602680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.602680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.602680 (E_RNA) where: Base-Base interactions energy: -19.471 where: short stacking energy: -19.471 Base-Backbone interact. energy: -0.000 local terms energy: -29.131268 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -3.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -36.623762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.623762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.623762 (E_RNA) where: Base-Base interactions energy: -21.174 where: short stacking energy: -8.958 Base-Backbone interact. energy: -0.008 local terms energy: -15.441682 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -2.232 flat angles P-C4'-P energy: -1.263 tors. eta vs tors. theta energy: 0.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -98.236742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.236742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.236742 (E_RNA) where: Base-Base interactions energy: -73.227 where: short stacking energy: -27.405 Base-Backbone interact. energy: -0.225 local terms energy: -24.784665 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -0.413 tors. eta vs tors. theta energy: -6.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -83.144842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.144842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.144842 (E_RNA) where: Base-Base interactions energy: -52.187 where: short stacking energy: -21.408 Base-Backbone interact. energy: -0.025 local terms energy: -30.933224 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -4.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -76.453845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.453845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.453845 (E_RNA) where: Base-Base interactions energy: -57.662 where: short stacking energy: -19.758 Base-Backbone interact. energy: -0.028 local terms energy: -18.763845 where: bonds (distance) C4'-P energy: -3.339 bonds (distance) P-C4' energy: -2.965 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -1.551 tors. eta vs tors. theta energy: -4.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -76.232249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.232249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.232249 (E_RNA) where: Base-Base interactions energy: -48.631 where: short stacking energy: -17.960 Base-Backbone interact. energy: -0.011 local terms energy: -27.590469 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: -3.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -83.072428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.072428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.072428 (E_RNA) where: Base-Base interactions energy: -57.611 where: short stacking energy: -21.296 Base-Backbone interact. energy: -0.460 local terms energy: -25.001663 where: bonds (distance) C4'-P energy: -6.275 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.116 flat angles P-C4'-P energy: -2.023 tors. eta vs tors. theta energy: -6.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -47.964226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.964226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.964226 (E_RNA) where: Base-Base interactions energy: -22.744 where: short stacking energy: -16.848 Base-Backbone interact. energy: -0.024 local terms energy: -25.195741 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -40.332253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.332253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.332253 (E_RNA) where: Base-Base interactions energy: -16.219 where: short stacking energy: -16.219 Base-Backbone interact. energy: -0.015 local terms energy: -24.098747 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -2.876 tors. eta vs tors. theta energy: -0.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -44.068895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.068895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.068895 (E_RNA) where: Base-Base interactions energy: -25.081 where: short stacking energy: -10.303 Base-Backbone interact. energy: -0.039 local terms energy: -18.948551 where: bonds (distance) C4'-P energy: -3.488 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: 0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -33.695799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.695799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.695799 (E_RNA) where: Base-Base interactions energy: -14.371 where: short stacking energy: -14.371 Base-Backbone interact. energy: -0.003 local terms energy: -19.321339 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.458 flat angles C4'-P-C4' energy: -2.911 flat angles P-C4'-P energy: -2.436 tors. eta vs tors. theta energy: -0.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -33.482968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.482968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.482968 (E_RNA) where: Base-Base interactions energy: -11.317 where: short stacking energy: -11.317 Base-Backbone interact. energy: -0.000 local terms energy: -22.165507 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -2.587 tors. eta vs tors. theta energy: -0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -94.905931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.905931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.905931 (E_RNA) where: Base-Base interactions energy: -67.973 where: short stacking energy: -27.736 Base-Backbone interact. energy: -0.223 local terms energy: -26.709734 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -6.355 flat angles P-C4'-P energy: -0.156 tors. eta vs tors. theta energy: -7.260 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: 7 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -86.422518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.422518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.422518 (E_RNA) where: Base-Base interactions energy: -67.912 where: short stacking energy: -24.833 Base-Backbone interact. energy: -0.066 local terms energy: -18.444751 where: bonds (distance) C4'-P energy: -0.817 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.719 flat angles P-C4'-P energy: -2.207 tors. eta vs tors. theta energy: -4.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -80.687017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.687017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.687017 (E_RNA) where: Base-Base interactions energy: -55.522 where: short stacking energy: -15.071 Base-Backbone interact. energy: 0.070 local terms energy: -25.235407 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -4.342 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: 9 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -80.757568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.757568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.757568 (E_RNA) where: Base-Base interactions energy: -50.529 where: short stacking energy: -16.294 Base-Backbone interact. energy: -0.424 local terms energy: -29.804301 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -80.260406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.260406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.260406 (E_RNA) where: Base-Base interactions energy: -50.232 where: short stacking energy: -22.417 Base-Backbone interact. energy: -0.002 local terms energy: -30.026267 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -4.368 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: 6, replica: 6 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -44.613217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.613217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.613217 (E_RNA) where: Base-Base interactions energy: -17.883 where: short stacking energy: -17.883 Base-Backbone interact. energy: 0.098 local terms energy: -26.828870 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -3.042 tors. eta vs tors. theta energy: -5.030 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: 7, replica: 3 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -43.925152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.925152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.925152 (E_RNA) where: Base-Base interactions energy: -16.048 where: short stacking energy: -16.048 Base-Backbone interact. energy: -0.002 local terms energy: -27.875661 where: bonds (distance) C4'-P energy: -2.635 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.854 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: 8, replica: 8 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -42.551569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.551569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.551569 (E_RNA) where: Base-Base interactions energy: -14.590 where: short stacking energy: -12.101 Base-Backbone interact. energy: -0.155 local terms energy: -27.805723 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -5.444 tors. eta vs tors. theta energy: -1.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -34.686565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.686565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.686565 (E_RNA) where: Base-Base interactions energy: -12.332 where: short stacking energy: -6.075 Base-Backbone interact. energy: -0.106 local terms energy: -22.247889 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -2.525 tors. eta vs tors. theta energy: -1.598 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: 497 Temperature: 1.350000 Total energy: -52.428708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.428708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.428708 (E_RNA) where: Base-Base interactions energy: -23.801 where: short stacking energy: -15.915 Base-Backbone interact. energy: -0.000 local terms energy: -28.627304 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.718 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -5.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -89.047122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.047122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.047122 (E_RNA) where: Base-Base interactions energy: -61.913 where: short stacking energy: -24.865 Base-Backbone interact. energy: -0.094 local terms energy: -27.039836 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -7.587 flat angles P-C4'-P energy: -2.172 tors. eta vs tors. theta energy: -4.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -97.826422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.826422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.826422 (E_RNA) where: Base-Base interactions energy: -72.619 where: short stacking energy: -27.235 Base-Backbone interact. energy: -0.991 local terms energy: -24.216368 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -0.625 tors. eta vs tors. theta energy: -3.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -89.023114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.023114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.023114 (E_RNA) where: Base-Base interactions energy: -64.125 where: short stacking energy: -22.121 Base-Backbone interact. energy: -0.006 local terms energy: -24.892640 where: bonds (distance) C4'-P energy: -4.978 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -1.922 tors. eta vs tors. theta energy: -6.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -86.539330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.539330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.539330 (E_RNA) where: Base-Base interactions energy: -67.633 where: short stacking energy: -23.828 Base-Backbone interact. energy: -0.005 local terms energy: -18.901052 where: bonds (distance) C4'-P energy: -4.494 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -3.195 flat angles P-C4'-P energy: 0.403 tors. eta vs tors. theta energy: -5.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -48.152245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.152245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.152245 (E_RNA) where: Base-Base interactions energy: -22.500 where: short stacking energy: -22.500 Base-Backbone interact. energy: -0.008 local terms energy: -25.643615 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -2.496 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -5.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -78.604160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.604160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.604160 (E_RNA) where: Base-Base interactions energy: -54.477 where: short stacking energy: -21.788 Base-Backbone interact. energy: -0.107 local terms energy: -24.020134 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -0.342 tors. eta vs tors. theta energy: -5.179 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: 7, replica: 3 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -45.772035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.772035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.772035 (E_RNA) where: Base-Base interactions energy: -25.959 where: short stacking energy: -15.907 Base-Backbone interact. energy: -0.068 local terms energy: -19.744443 where: bonds (distance) C4'-P energy: -3.587 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -0.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -41.424877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.424877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.424877 (E_RNA) where: Base-Base interactions energy: -21.377 where: short stacking energy: -19.194 Base-Backbone interact. energy: -0.004 local terms energy: -20.044041 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -2.906 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -36.953292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.953292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.953292 (E_RNA) where: Base-Base interactions energy: -12.712 where: short stacking energy: -12.712 Base-Backbone interact. energy: -0.110 local terms energy: -24.131561 where: bonds (distance) C4'-P energy: -4.635 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -1.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -39.813233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.813233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.813233 (E_RNA) where: Base-Base interactions energy: -13.774 where: short stacking energy: -13.694 Base-Backbone interact. energy: -0.012 local terms energy: -26.028030 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) out arg RESULTS//1/aaa-12c82a81_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 7 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -84.849416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.849416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.849416 (E_RNA) where: Base-Base interactions energy: -58.768 where: short stacking energy: -20.036 Base-Backbone interact. energy: -0.033 local terms energy: -26.048800 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.317 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -3.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -80.004527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.004527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.004527 (E_RNA) where: Base-Base interactions energy: -51.258 where: short stacking energy: -21.316 Base-Backbone interact. energy: -0.004 local terms energy: -28.742691 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -3.032 tors. eta vs tors. theta energy: -5.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -91.875091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.875091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.875091 (E_RNA) where: Base-Base interactions energy: -69.837 where: short stacking energy: -25.942 Base-Backbone interact. energy: -0.254 local terms energy: -21.783187 where: bonds (distance) C4'-P energy: -2.495 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -7.519 flat angles P-C4'-P energy: -1.368 tors. eta vs tors. theta energy: -3.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -56.174479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.174479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.174479 (E_RNA) where: Base-Base interactions energy: -25.608 where: short stacking energy: -25.608 Base-Backbone interact. energy: -0.000 local terms energy: -30.566548 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -4.453 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: 5, replica: 5 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -87.135917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.135917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.135917 (E_RNA) where: Base-Base interactions energy: -61.774 where: short stacking energy: -24.069 Base-Backbone interact. energy: -0.000 local terms energy: -25.361791 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -1.967 tors. eta vs tors. theta energy: -5.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -76.174944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.174944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.174944 (E_RNA) where: Base-Base interactions energy: -51.053 where: short stacking energy: -16.932 Base-Backbone interact. energy: -0.005 local terms energy: -25.116353 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: 0.724 tors. eta vs tors. theta energy: -5.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -55.896392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.896392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.896392 (E_RNA) where: Base-Base interactions energy: -25.886 where: short stacking energy: -25.886 Base-Backbone interact. energy: -0.001 local terms energy: -30.009153 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -6.022 tors. eta vs tors. theta energy: -5.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -49.151331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.151331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.151331 (E_RNA) where: Base-Base interactions energy: -32.255 where: short stacking energy: -14.016 Base-Backbone interact. energy: -0.055 local terms energy: -16.841975 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -0.813 flat angles P-C4'-P energy: -2.765 tors. eta vs tors. theta energy: -2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -38.565098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.565098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.565098 (E_RNA) where: Base-Base interactions energy: -16.866 where: short stacking energy: -16.113 Base-Backbone interact. energy: -0.507 local terms energy: -21.192280 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -1.156 tors. eta vs tors. theta energy: -0.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -46.813335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.813335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.813335 (E_RNA) where: Base-Base interactions energy: -21.237 where: short stacking energy: -21.237 Base-Backbone interact. energy: -0.002 local terms energy: -25.573744 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.010 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -4.137 tors. eta vs tors. theta energy: -4.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 9 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -86.861354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.861354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.861354 (E_RNA) where: Base-Base interactions energy: -66.855 where: short stacking energy: -27.312 Base-Backbone interact. energy: -0.157 local terms energy: -19.849342 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: 1.613 tors. eta vs tors. theta energy: -3.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -84.265982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.265982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.265982 (E_RNA) where: Base-Base interactions energy: -59.251 where: short stacking energy: -21.044 Base-Backbone interact. energy: -0.002 local terms energy: -25.013646 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -2.723 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -79.286235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.286235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.286235 (E_RNA) where: Base-Base interactions energy: -50.857 where: short stacking energy: -19.003 Base-Backbone interact. energy: -0.057 local terms energy: -28.372261 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -2.662 tors. eta vs tors. theta energy: -5.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -55.017765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.017765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.017765 (E_RNA) where: Base-Base interactions energy: -24.186 where: short stacking energy: -24.186 Base-Backbone interact. energy: -0.000 local terms energy: -30.831463 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -6.413 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: 2 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -76.581815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.581815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.581815 (E_RNA) where: Base-Base interactions energy: -53.695 where: short stacking energy: -19.473 Base-Backbone interact. energy: 0.349 local terms energy: -23.235656 where: bonds (distance) C4'-P energy: -5.446 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -1.721 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: 6, replica: 5 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -80.064123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.064123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.064123 (E_RNA) where: Base-Base interactions energy: -54.854 where: short stacking energy: -18.312 Base-Backbone interact. energy: -0.042 local terms energy: -25.168767 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -5.161 flat angles P-C4'-P energy: -2.746 tors. eta vs tors. theta energy: -5.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -40.651646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.651646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.651646 (E_RNA) where: Base-Base interactions energy: -22.465 where: short stacking energy: -15.415 Base-Backbone interact. energy: 0.543 local terms energy: -18.729352 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -39.267659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.267659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.267659 (E_RNA) where: Base-Base interactions energy: -16.235 where: short stacking energy: -16.235 Base-Backbone interact. energy: -0.029 local terms energy: -23.003543 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -45.797748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.797748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.797748 (E_RNA) where: Base-Base interactions energy: -19.590 where: short stacking energy: -19.590 Base-Backbone interact. energy: -0.000 local terms energy: -26.207719 where: bonds (distance) C4'-P energy: -4.866 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -4.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -38.870854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.870854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.870854 (E_RNA) where: Base-Base interactions energy: -16.785 where: short stacking energy: -16.785 Base-Backbone interact. energy: -0.000 local terms energy: -22.085576 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.194 flat angles P-C4'-P energy: -2.616 tors. eta vs tors. theta energy: -3.523 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 9 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -92.712668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.712668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.712668 (E_RNA) where: Base-Base interactions energy: -68.921 where: short stacking energy: -25.305 Base-Backbone interact. energy: -0.011 local terms energy: -23.780838 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: 0.736 tors. eta vs tors. theta energy: -4.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -89.201986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.201986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.201986 (E_RNA) where: Base-Base interactions energy: -62.804 where: short stacking energy: -23.950 Base-Backbone interact. energy: -0.101 local terms energy: -26.296914 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -6.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -82.062869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.062869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.062869 (E_RNA) where: Base-Base interactions energy: -56.422 where: short stacking energy: -23.327 Base-Backbone interact. energy: -0.000 local terms energy: -25.640889 where: bonds (distance) C4'-P energy: -4.556 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -3.633 tors. eta vs tors. theta energy: -4.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -81.459355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.459355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.459355 (E_RNA) where: Base-Base interactions energy: -53.471 where: short stacking energy: -23.280 Base-Backbone interact. energy: -0.001 local terms energy: -27.987905 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -5.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -51.766286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.766286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.766286 (E_RNA) where: Base-Base interactions energy: -25.644 where: short stacking energy: -25.644 Base-Backbone interact. energy: -0.000 local terms energy: -26.122427 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: -5.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -81.756035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.756035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.756035 (E_RNA) where: Base-Base interactions energy: -57.223 where: short stacking energy: -23.269 Base-Backbone interact. energy: -0.190 local terms energy: -24.343051 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.741 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -0.083 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: 7, replica: 4 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -40.966039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.966039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.966039 (E_RNA) where: Base-Base interactions energy: -15.117 where: short stacking energy: -15.117 Base-Backbone interact. energy: -0.001 local terms energy: -25.848288 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -43.150842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.150842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.150842 (E_RNA) where: Base-Base interactions energy: -17.699 where: short stacking energy: -17.699 Base-Backbone interact. energy: 0.403 local terms energy: -25.854787 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -4.342 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: 3 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -44.708988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.708988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.708988 (E_RNA) where: Base-Base interactions energy: -19.547 where: short stacking energy: -19.547 Base-Backbone interact. energy: -0.013 local terms energy: -25.148912 where: bonds (distance) C4'-P energy: -3.408 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -6.993 flat angles P-C4'-P energy: -3.628 tors. eta vs tors. theta energy: -4.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -36.856389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.856389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.856389 (E_RNA) where: Base-Base interactions energy: -14.402 where: short stacking energy: -14.402 Base-Backbone interact. energy: -0.080 local terms energy: -22.374611 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -2.088 tors. eta vs tors. theta energy: -0.124 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) replica 10 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 6093936 moves confirmed later: 7285700 all moves confirmed: 13379636 percent of confirmed moves: 1.672454 current total energy: -75.839250 recalc. total energy: -75.839250 replica 9 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 7149065 moves confirmed later: 8712840 all moves confirmed: 15861905 percent of confirmed moves: 1.982738 current total energy: -62.213607 recalc. total energy: -62.213607 replica 2 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 7137094 moves confirmed later: 8688463 all moves confirmed: 15825557 percent of confirmed moves: 1.978195 current total energy: -65.557521 recalc. total energy: -65.557521 replica 7 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 6907830 moves confirmed later: 8364926 all moves confirmed: 15272756 percent of confirmed moves: 1.909094 current total energy: -70.256801 recalc. total energy: -70.256801 replica 5 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 7840108 moves confirmed later: 9623829 all moves confirmed: 17463937 percent of confirmed moves: 2.182992 current total energy: -63.743333 recalc. total energy: -63.743333 replica 6 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 7676804 moves confirmed later: 9443906 all moves confirmed: 17120710 percent of confirmed moves: 2.140089 current total energy: -30.865537 recalc. total energy: -30.865537 replica 1 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 6269029 moves confirmed later: 7513145 all moves confirmed: 13782174 percent of confirmed moves: 1.722772 current total energy: -3.102710 recalc. total energy: -3.102710 replica 4 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 7695150 moves confirmed later: 9479061 all moves confirmed: 17174211 percent of confirmed moves: 2.146776 current total energy: -15.247110 recalc. total energy: -15.247110 replica 8 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 8522952 moves confirmed later: 10595576 all moves confirmed: 19118528 percent of confirmed moves: 2.389816 current total energy: -12.327241 recalc. total energy: -12.327241 replica 3 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 8136790 moves confirmed later: 10057112 all moves confirmed: 18193902 percent of confirmed moves: 2.274238 current total energy: -16.452163 recalc. total energy: -16.452163 Time of doing 8000000 iterations: 675.905 seconds